A0A077Z3T8_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M41.1Very low78.7Confident229 Ų229108.4 Ų108.4100%1.12853%0.532SS*.  0135.40-69.4178176.200108.8R3M1-R3 PolarHBondContact O-N 2.74Å
2P48.1Very low80.2Confident129 Ų129102.7 Ų102.784%0.83852%0.516SS*.PPolyproline II helixtrans-59.7129174-13.926.5000108.8T4P2-T4 PolarHBondContact O-N 3.29Å
3R59.8Low81.4Confident241 Ų241103.4 Ų103.491%0.90952%0.522SS*.PPolyproline II helixtrans-59.6122.7175.1-66.7-176.6-176-171.50.7107.8M1 K5M1-R3 PolarHBondContact O-N 2.74Å; R3-K5 PolarHBondContact O-N 3.22Å
4T71Confident82.6Confident117 Ų11797.6 Ų97.672%0.71849%0.491SS*.PPolyproline II helixtrans-59.3123.717344.90000108.5P2P2-T4 PolarHBondContact O-N 3.29Å
5K83.2Confident83.7Confident126 Ų12696.2 Ų96.255%0.54849%0.489SS..PPolyproline II helixtrans-56.4130.7179.6-70.1-177.9-173.61730109.3R3 I7 D9 R75R3-K5 PolarHBondContact O-N 3.22Å; K5-I7 VanDerWaalsContact C-N 3.29Å; K5-I7 WeakPolarHBondContact CB-O 3.18Å; K5-I7 PolarHBondContact O-N 3.25Å; K5-D9 VanDerWaalsContact CD-OD1 3.3Å; K5-D9 WeakPolarHBondContact CD-OD1 3.47Å; K5-D9 IonicContact NZ-OD1 2.69Å; K5-D9 PolarHBondContact NZ-OD1 3.11Å; K5-D9 IonicContact NZ-OD2 3.72Å; K5-R75 PolarHBondContact O-NH1 2.9Å; K5-R75 PolarHBondContact O-NH2 2.88Å; K5-R75 VanDerWaalsContact O-NH2 3.14Å
6P89.7Confident84.6Confident58 Ų5892.1 Ų92.138%0.37747%0.474SS..SBendtrans-56.4-43-175.9-2633.2000113.1L37 K40 R75P6-L37 HydrophobicContact CB-CD2 3.58Å; P6-K40 HydrophobicContact CB-CD 4.01Å; P6-K40 HydrophobicContact CG-CD 4.29Å; P6-R75 PolarHBondContact O-NH1 3.02Å
7I94.3Very high85.4Confident33 Ų3389.2 Ų89.217%0.16946%0.458CS..SBendtrans-99.6135.9174.7-61.6162.9000108.3K5 W11 L33 K40 L41K5-I7 VanDerWaalsContact C-N 3.29Å; K5-I7 WeakPolarHBondContact CB-O 3.18Å; K5-I7 PolarHBondContact O-N 3.25Å; I7-W11 HydrophobicContact CG2-CB 3.94Å; I7-W11 HydrophobicContact CG2-CG 4.34Å; I7-L33 HydrophobicContact CG1-CD1 4.2Å; I7-L33 HydrophobicContact CG2-CD1 4.27Å; I7-K40 HydrophobicContact CD1-CB 3.82Å; I7-L41 HydrophobicContact CD1-CD2 3.69Å; I7-L41 HydrophobicContact CD1-CG 3.93Å; I7-L41 HydrophobicContact CG2-CD2 4.45Å
8P93.3Very high86.1Confident14 Ų1484.7 Ų84.79%0.09144%0.437CS..PPolyproline II helixtrans-62.1146.4175.9-20.433.5000112.3R10 W11 Y76 T134P8-R10 PolarHBondContact O-N 3.11Å; P8-W11 HydrophobicContact CB-CB 4.27Å; P8-W11 VanDerWaalsContact O-CB 3.3Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 3.05Å; P8-Y76 HydrophobicContact CG-CD1 4.42Å; P8-Y76 HydrophobicContact CG-CE1 3.45Å; P8-Y76 VanDerWaalsContact CG-CE1 3.45Å; P8-Y76 HydrophobicContact CG-CE2 4.5Å; P8-Y76 WeakPolarHBondContact CG-OH 3.4Å; P8-T134 HydrophobicContact CB-CG2 3.43Å; P8-T134 VanDerWaalsContact CB-CG2 3.43Å; P8-T134 HydrophobicContact CG-CG2 3.6Å
9D94.1Very high86.8Confident98 Ų9887.9 Ų87.952%0.52445%0.45SS..THydrogen-bonded Turntrans-56138.2174.6-69.5-35.5000110.9K5 W11 H135K5-D9 VanDerWaalsContact CD-OD1 3.3Å; K5-D9 WeakPolarHBondContact CD-OD1 3.47Å; K5-D9 IonicContact NZ-OD1 2.69Å; K5-D9 PolarHBondContact NZ-OD1 3.11Å; K5-D9 IonicContact NZ-OD2 3.72Å; D9-W11 PolarHBondContact O-N 3.47Å; D9-W11 VanDerWaalsContact O-N 3.09Å; D9-H135 PolarHBondContact O-NE2 3.34Å
10R94.9Very high87.4Confident146 Ų14685.2 Ų85.255%0.55143%0.434SS*.THydrogen-bonded Turntrans6011.9179.5-57.5-171.3-62.7172.83.6115.4P8 A12 D13 Y14P8-R10 PolarHBondContact O-N 3.11Å; R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å; R10-D13 HydrophobicContact CB-CB 4.26Å; R10-D13 WeakPolarHBondContact CB-OD2 3.42Å; R10-D13 WeakPolarHBondContact CG-OD2 3.31Å; R10-D13 WeakPolarHBondContact O-CB 3.21Å; R10-D13 PolarHBondContact O-N 3.43Å; R10-Y14 HydrophobicContact CB-CE2 4.23Å; R10-Y14 WeakPolarHBondContact O-CD2 3.34Å; R10-Y14 WeakPolarHBondContact O-CE2 3.18Å
11W97Very high87.9Confident1 Ų181.2 Ų81.20%0.00441%0.413CS..G310 helixtrans-57.1-32.6-180179.394000113.2I7 P8 D9 D13 K30 T31 L33 L41 L46 Y48I7-W11 HydrophobicContact CG2-CB 3.94Å; I7-W11 HydrophobicContact CG2-CG 4.34Å; P8-W11 HydrophobicContact CB-CB 4.27Å; P8-W11 VanDerWaalsContact O-CB 3.3Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 3.05Å; D9-W11 PolarHBondContact O-N 3.47Å; D9-W11 VanDerWaalsContact O-N 3.09Å; W11-D13 VanDerWaalsContact C-N 3.31Å; W11-K30 HydrophobicContact CD2-CD 4.23Å; W11-K30 HydrophobicContact CZ2-CD 4.04Å; W11-K30 HydrophobicContact CZ2-CG 4.3Å; W11-K30 PolarHBondContact O-NZ 2.98Å; W11-T31 WeakPolarHBondContact CZ2-O 3.28Å; W11-T31 PolarHBondContact NE1-O 3.22Å; W11-L33 HydrophobicContact CD2-CD1 3.86Å; W11-L33 HydrophobicContact CD2-CG 4.42Å; W11-L33 HydrophobicContact CE3-CD1 3.99Å; W11-L33 HydrophobicContact CH2-CD1 3.77Å; W11-L33 HydrophobicContact CH2-CG 4.16Å; W11-L33 HydrophobicContact CZ2-CD1 3.63Å; W11-L33 HydrophobicContact CZ2-CG 3.6Å; W11-L33 HydrophobicContact CZ3-CD1 3.96Å; W11-L41 HydrophobicContact CE3-CD2 4.15Å; W11-L41 HydrophobicContact CH2-CD1 4.22Å; W11-L41 HydrophobicContact CZ3-CD1 3.69Å; W11-L41 HydrophobicContact CZ3-CD2 4.06Å; W11-L46 WeakPolarHBondContact CH2-O 3.37Å; W11-L46 WeakPolarHBondContact CZ3-O 3.44Å; W11-Y48 HydrophobicContact CZ2-CD1 4.16Å
12A96Very high90.6Very high40 Ų4073.9 Ų73.933%0.33138%0.383SS..G310 helixtrans-74.8-18.8177.100000113.7R10 Y14 L46R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å; A12-Y14 PolarHBondContact O-N 3.42Å; A12-L46 HydrophobicContact CB-CD1 4.21Å
13D96.4Very high92.9Very high112 Ų11270 Ų7060%0.59937%0.366SS*.G310 helixtrans-76.3-12.9-177.2-52.8-2.4000111.8R10 W11R10-D13 HydrophobicContact CB-CB 4.26Å; R10-D13 WeakPolarHBondContact CB-OD2 3.42Å; R10-D13 WeakPolarHBondContact CG-OD2 3.31Å; R10-D13 WeakPolarHBondContact O-CB 3.21Å; R10-D13 PolarHBondContact O-N 3.43Å; W11-D13 VanDerWaalsContact C-N 3.31Å
14Y98.1Very high94.7Very high23 Ų2358.7 Ų58.79%0.0932%0.324CS..SBendtrans-103.9140179-61.1-91.4000110.8R10 A12 K30 H135 V137 H169R10-Y14 HydrophobicContact CB-CE2 4.23Å; R10-Y14 WeakPolarHBondContact O-CD2 3.34Å; R10-Y14 WeakPolarHBondContact O-CE2 3.18Å; A12-Y14 PolarHBondContact O-N 3.42Å; Y14-K30 WeakPolarHBondContact O-CD 3.41Å; Y14-K30 WeakPolarHBondContact O-CE 3.41Å; Y14-K30 PolarHBondContact O-NZ 3.38Å; Y14-H135 HydrophobicContact CD1-CB 4.18Å; Y14-H135 HydrophobicContact CD2-CB 3.83Å; Y14-H135 AromaticContact CD2-CD2 3.43Å; Y14-H135 VanDerWaalsContact CD2-CD2 3.43Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.48Å; Y14-H135 AromaticContact CD2-CG 3.92Å; Y14-H135 HydrophobicContact CE1-CB 4.15Å; Y14-H135 HydrophobicContact CE2-CB 3.78Å; Y14-H135 AromaticContact CE2-CD2 3.25Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.16Å; Y14-H135 AromaticContact CE2-CG 3.62Å; Y14-H135 HydrophobicContact CG-CB 4.03Å; Y14-V137 HydrophobicContact CD1-CG2 3.7Å; Y14-V137 HydrophobicContact CE1-CG2 3.63Å; Y14-H169 HydrophobicContact CD1-CB 4.41Å; Y14-H169 AromaticContact CD1-CE1 3.85Å; Y14-H169 AromaticContact CD1-CG 3.77Å; Y14-H169 AromaticContact CD1-ND1 3.48Å; Y14-H169 WeakPolarHBondContact CD1-ND1 3.17Å; Y14-H169 AromaticContact CE1-ND1 3.95Å
15T98.1Very high96Very high76 Ų7653.1 Ų53.147%0.46629%0.29SS..  trans-60.6152.4169.853.50000110.6R167 H169T15-R167 PolarHBondContact O-NH1 3.42Å; T15-R167 PolarHBondContact O-NH2 2.95Å; T15-R167 PolarHBondContact OG1-NH1 3.44Å; T15-H169 PolarHBondContact N-NE2 2.91Å; T15-H169 PolarHBondContact OG1-NE2 2.89Å
16A98.4Very high96.7Very high30 Ų3047.1 Ų47.125%0.24826%0.264CS..SBendtrans-55.6-56.9-17500000112.8S29 K30 Y48A16-S29 PolarHBondContact O-OG 2.79Å; A16-S29 VanDerWaalsContact O-OG 3.09Å; A16-K30 WeakPolarHBondContact O-CG 3.44Å; A16-K30 PolarHBondContact O-N 3.34Å; A16-Y48 HydrophobicContact CB-CD1 4.17Å; A16-Y48 HydrophobicContact CB-CD2 3.69Å; A16-Y48 HydrophobicContact CB-CE1 4.14Å; A16-Y48 HydrophobicContact CB-CE2 3.67Å; A16-Y48 HydrophobicContact CB-CG 3.94Å
17F98.7Very high97.2Very high44 Ų4444.4 Ų44.419%0.19325%0.246CC..BIsolated β-bridgetrans-141.7166.8174.559.9-80.6000109.7I27 P28 Y48 E56 I57 T60F17-I27 HydrophobicContact CB-CG2 4.24Å; F17-I27 HydrophobicContact CD2-CG2 4.03Å; F17-P28 CarbonylContact C-O 3.49Å; F17-P28 WeakPolarHBondContact CA-O 3.41Å; F17-Y48 HydrophobicContact CD1-CE2 4.32Å; F17-E56 HydrophobicContact CE1-CB 3.63Å; F17-E56 HydrophobicContact CZ-CB 4.01Å; F17-I57 HydrophobicContact CD1-CG1 4.14Å; F17-I57 HydrophobicContact CD2-CD1 4.36Å; F17-I57 HydrophobicContact CD2-CG1 3.69Å; F17-I57 HydrophobicContact CE1-CG1 4.2Å; F17-I57 HydrophobicContact CE2-CG1 3.75Å; F17-I57 HydrophobicContact CG-CD1 4.32Å; F17-I57 HydrophobicContact CG-CG1 3.92Å; F17-I57 HydrophobicContact CZ-CG1 4.02Å; F17-T60 HydrophobicContact CE2-CG2 4Å; F17-T60 HydrophobicContact CZ-CG2 4.13Å
18G98.6Very high97.4Very high8 Ų842.9 Ų42.98%0.08224%0.238CC..  trans-99.9179.1170.100000112I27 P28 C166G18-I27 WeakPolarHBondContact O-CG2 3.49Å; G18-P28 PolarHBondContact N-O 2.96Å; G18-C166 CarbonylContact C-O 3.54Å; G18-C166 WeakPolarHBondContact CA-O 3.47Å
19E98.5Very high97.7Very high146 Ų14642.2 Ų42.268%0.68223%0.234SC*.PPolyproline II helixtrans-67.4158171.5-64.8177.5178.700111.2I21 P28 C166E19-I21 PolarHBondContact O-N 2.65Å; E19-P28 WeakPolarHBondContact O-CD 3.4Å; E19-C166 HydrophobicContact CB-CB 4.37Å; E19-C166 PolarHBondContact N-O 3.02Å
20R98.5Very high97.9Very high33 Ų3337.9 Ų37.913%0.12521%0.21CC..PPolyproline II helixtrans-64.5130.3171-175.8178175.5-169.7-3.4109.3P22 T24 F26 I27 H62 Y121 P123 D125R20-P22 WeakPolarHBondContact O-CD 3.32Å; R20-T24 WeakPolarHBondContact CG-O 3.44Å; R20-T24 PolarHBondContact NE-O 2.86Å; R20-T24 PolarHBondContact NH2-O 2.99Å; R20-F26 WeakPolarHBondContact CA-O 3.32Å; R20-I27 HydrophobicContact CB-CD1 4.27Å; R20-I27 HydrophobicContact CB-CG1 3.76Å; R20-I27 HydrophobicContact CG-CG1 4.06Å; R20-H62 WeakPolarHBondContact CB-NE2 3.21Å; R20-Y121 VanDerWaalsContact NH2-CE2 3.3Å; R20-Y121 PolarHBondContact NH2-OH 3.45Å; R20-P123 PolarHBondContact NH2-O 3.09Å; R20-D125 VanDerWaalsContact CZ-O 3.27Å; R20-D125 PolarHBondContact NH1-O 3Å; R20-D125 PolarHBondContact NH2-O 3.14Å
21I98.4Very high98.1Very high1 Ų131 Ų311%0.00518%0.184CC..PPolyproline II helixtrans-67.3121.6177-63.4165.4000108E19 G23 T24 F26 I144 L148 W154 F163 C166E19-I21 PolarHBondContact O-N 2.65Å; I21-G23 PolarHBondContact O-N 3.46Å; I21-T24 HydrophobicContact CB-CG2 4.4Å; I21-T24 WeakPolarHBondContact CB-OG1 3.45Å; I21-T24 HydrophobicContact CG2-CG2 3.93Å; I21-T24 PolarHBondContact O-N 3.02Å; I21-T24 PolarHBondContact O-OG1 2.89Å; I21-F26 HydrophobicContact CD1-CB 4.3Å; I21-F26 PolarHBondContact N-O 2.91Å; I21-I144 HydrophobicContact CD1-CD1 4.44Å; I21-I144 HydrophobicContact CD1-CG2 3.62Å; I21-L148 HydrophobicContact CG2-CD1 4.41Å; I21-W154 HydrophobicContact CG2-CH2 4.1Å; I21-W154 HydrophobicContact CG2-CZ3 4.19Å; I21-F163 HydrophobicContact CD1-CD2 3.97Å; I21-C166 HydrophobicContact CG1-CB 3.97Å
22P97.1Very high98.1Very high75 Ų7530.9 Ų30.949%0.48718%0.184SC..THydrogen-bonded Turntrans-51.6135.3-172.1-3035.4000113.5R20 T24 W154R20-P22 WeakPolarHBondContact O-CD 3.32Å; P22-T24 PolarHBondContact O-N 3.08Å; P22-W154 VanDerWaalsContact O-CH2 3.32Å; P22-W154 WeakPolarHBondContact O-CH2 3.33Å
23G96.3Very high98.2Very high47 Ų4729 Ų2949%0.48517%0.168SC..THydrogen-bonded Turntrans75.5-1.918000000115.6I21 Y121I21-G23 PolarHBondContact O-N 3.46Å; G23-Y121 PolarHBondContact O-OH 2.99Å
24T98.1Very high98.3Very high4 Ų425 Ų253%0.02515%0.149CC..SBendtrans-122.1158.3-176.683.70000111R20 I21 P22 F26 Y121 L148 W154R20-T24 WeakPolarHBondContact CG-O 3.44Å; R20-T24 PolarHBondContact NE-O 2.86Å; R20-T24 PolarHBondContact NH2-O 2.99Å; I21-T24 HydrophobicContact CB-CG2 4.4Å; I21-T24 WeakPolarHBondContact CB-OG1 3.45Å; I21-T24 HydrophobicContact CG2-CG2 3.93Å; I21-T24 PolarHBondContact O-N 3.02Å; I21-T24 PolarHBondContact O-OG1 2.89Å; P22-T24 PolarHBondContact O-N 3.08Å; T24-F26 HydrophobicContact CG2-CD2 4.42Å; T24-F26 PolarHBondContact O-N 3.15Å; T24-F26 WeakPolarHBondContact OG1-CD2 3.4Å; T24-F26 PolarHBondContact OG1-N 2.9Å; T24-Y121 WeakPolarHBondContact CA-OH 3.46Å; T24-Y121 PolarHBondContact O-OH 2.99Å; T24-L148 HydrophobicContact CG2-CD1 4.11Å; T24-L148 HydrophobicContact CG2-CD2 3.56Å; T24-W154 HydrophobicContact CG2-CH2 3.71Å; T24-W154 HydrophobicContact CG2-CZ2 3.57Å
25P98.4Very high98.3Very high1 Ų129.7 Ų29.71%0.00617%0.172CC..SBendtrans-75.9-1.4174.931-34.8000112.9F115 Y121 A128 I129P25-F115 HydrophobicContact CB-CE1 3.92Å; P25-F115 HydrophobicContact CB-CZ 4.36Å; P25-F115 HydrophobicContact CG-CE1 4.48Å; P25-Y121 HydrophobicContact CB-CD2 4.2Å; P25-Y121 HydrophobicContact CB-CE2 3.63Å; P25-Y121 HydrophobicContact CG-CE2 4.34Å; P25-Y121 VanDerWaalsContact N-OH 3.08Å; P25-A128 CarbonylContact O-C 3.56Å; P25-A128 VanDerWaalsContact O-CA 3.32Å; P25-A128 WeakPolarHBondContact O-CA 3.42Å; P25-I129 HydrophobicContact CB-CB 4.5Å; P25-I129 HydrophobicContact CB-CD1 4.22Å; P25-I129 HydrophobicContact CB-CG1 4.04Å; P25-I129 HydrophobicContact CG-CD1 3.86Å; P25-I129 HydrophobicContact CG-CG1 4.23Å; P25-I129 PolarHBondContact O-N 3.35Å
26F98.9Very high98.2Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-85.9127.2-162.8-59.8-61.3000113.7R20 I21 T24 F108 V112 I129 V131 I144 Y147 L148R20-F26 WeakPolarHBondContact CA-O 3.32Å; I21-F26 HydrophobicContact CD1-CB 4.3Å; I21-F26 PolarHBondContact N-O 2.91Å; T24-F26 HydrophobicContact CG2-CD2 4.42Å; T24-F26 PolarHBondContact O-N 3.15Å; T24-F26 WeakPolarHBondContact OG1-CD2 3.4Å; T24-F26 PolarHBondContact OG1-N 2.9Å; F26-F108 HydrophobicContact CE1-CE1 4.21Å; F26-F108 AromaticContact CE1-CZ 3.9Å; F26-F108 HydrophobicContact CE1-CZ 3.9Å; F26-F108 HydrophobicContact CZ-CE1 4.26Å; F26-F108 HydrophobicContact CZ-CZ 4.39Å; F26-V112 HydrophobicContact CE1-CG1 4.16Å; F26-V112 HydrophobicContact CE1-CG2 3.74Å; F26-V112 HydrophobicContact CZ-CG1 3.78Å; F26-V112 HydrophobicContact CZ-CG2 3.91Å; F26-I129 WeakPolarHBondContact CA-O 3.47Å; F26-I129 HydrophobicContact CD1-CB 4.19Å; F26-I129 HydrophobicContact CD1-CG2 4.41Å; F26-I129 HydrophobicContact CE1-CD1 4.09Å; F26-V131 HydrophobicContact CD1-CG2 3.92Å; F26-V131 HydrophobicContact CE1-CG2 4.43Å; F26-I144 HydrophobicContact CB-CD1 4.02Å; F26-I144 HydrophobicContact CB-CG1 4.22Å; F26-I144 HydrophobicContact CB-CG2 4.22Å; F26-I144 HydrophobicContact CD1-CG1 4.16Å; F26-I144 HydrophobicContact CD2-CG2 3.8Å; F26-I144 HydrophobicContact CE2-CG2 4.37Å; F26-I144 HydrophobicContact CG-CD1 4.41Å; F26-I144 HydrophobicContact CG-CG1 4.06Å; F26-I144 HydrophobicContact CG-CG2 4.07Å; F26-Y147 AromaticContact CE2-CD1 3.52Å; F26-Y147 HydrophobicContact CE2-CD1 3.52Å; F26-Y147 AromaticContact CE2-CE1 3.74Å; F26-Y147 HydrophobicContact CE2-CE1 3.74Å; F26-Y147 HydrophobicContact CE2-CG 4.45Å; F26-Y147 AromaticContact CZ-CD1 3.53Å; F26-Y147 HydrophobicContact CZ-CD1 3.53Å; F26-Y147 AromaticContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CG 4.12Å; F26-L148 HydrophobicContact CD2-CD2 4.26Å; F26-L148 HydrophobicContact CD2-CG 4.49Å; F26-L148 HydrophobicContact CE2-CD2 3.91Å; F26-L148 HydrophobicContact CE2-CG 4.25Å
27I98.8Very high98.2Very high1 Ų133.4 Ų33.41%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-118114.1168.2-62.6175.9000108.2F17 G18 R20 I57 H62 A128 I129 C130 V131F17-I27 HydrophobicContact CB-CG2 4.24Å; F17-I27 HydrophobicContact CD2-CG2 4.03Å; G18-I27 WeakPolarHBondContact O-CG2 3.49Å; R20-I27 HydrophobicContact CB-CD1 4.27Å; R20-I27 HydrophobicContact CB-CG1 3.76Å; R20-I27 HydrophobicContact CG-CG1 4.06Å; I27-I57 HydrophobicContact CD1-CG2 3.45Å; I27-I57 VanDerWaalsContact CD1-CG2 3.45Å; I27-I57 HydrophobicContact CG2-CD1 3.89Å; I27-I57 HydrophobicContact CG2-CG1 4.34Å; I27-H62 HydrophobicContact CD1-CB 3.83Å; I27-A128 HydrophobicContact CD1-CB 3.61Å; I27-A128 HydrophobicContact CG1-CB 4.17Å; I27-I129 PolarHBondContact N-O 3.39Å; I27-C130 WeakPolarHBondContact O-CA 3.36Å; I27-V131 PolarHBondContact O-N 3.31Å
28P98.9Very high98.1Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-83.9128.9-17835.3-35.8000111F17 G18 E19 T140 I144 F163 R167F17-P28 CarbonylContact C-O 3.49Å; F17-P28 WeakPolarHBondContact CA-O 3.41Å; G18-P28 PolarHBondContact N-O 2.96Å; E19-P28 WeakPolarHBondContact O-CD 3.4Å; P28-T140 HydrophobicContact CB-CG2 3.48Å; P28-T140 VanDerWaalsContact CB-CG2 3.48Å; P28-I144 HydrophobicContact CB-CD1 4.16Å; P28-F163 HydrophobicContact CB-CE2 3.63Å; P28-F163 HydrophobicContact CB-CZ 4.22Å; P28-F163 HydrophobicContact CG-CE2 4.11Å; P28-R167 HydrophobicContact CG-CB 3.97Å; P28-R167 HydrophobicContact CG-CG 4.44Å
29S98.9Very high97.9Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-130.2150.8-174.7178.10000112.6A16 Y48 C130 V131 H132 G136A16-S29 PolarHBondContact O-OG 2.79Å; A16-S29 VanDerWaalsContact O-OG 3.09Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.18Å; S29-Y48 PolarHBondContact OG-OH 3.5Å; S29-C130 WeakPolarHBondContact CB-SG 3.36Å; S29-V131 PolarHBondContact N-O 3.12Å; S29-H132 WeakPolarHBondContact O-CA 3.48Å; S29-H132 WeakPolarHBondContact O-CB 3.35Å; S29-G136 VanDerWaalsContact C-CA 3.49Å; S29-G136 WeakPolarHBondContact O-CA 3.48Å
30K98.6Very high97.8Very high8 Ų833.5 Ų33.54%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-70.7164.5159.277.3-174.5178.61770109.6W11 Y14 A16 Y48 C133 H135W11-K30 HydrophobicContact CD2-CD 4.23Å; W11-K30 HydrophobicContact CZ2-CD 4.04Å; W11-K30 HydrophobicContact CZ2-CG 4.3Å; W11-K30 PolarHBondContact O-NZ 2.98Å; Y14-K30 WeakPolarHBondContact O-CD 3.41Å; Y14-K30 WeakPolarHBondContact O-CE 3.41Å; Y14-K30 PolarHBondContact O-NZ 3.38Å; A16-K30 WeakPolarHBondContact O-CG 3.44Å; A16-K30 PolarHBondContact O-N 3.34Å; K30-Y48 HydrophobicContact CG-CD1 3.99Å; K30-Y48 HydrophobicContact CG-CE1 4.06Å; K30-C133 CarbonylContact C-O 3.55Å; K30-H135 WeakPolarHBondContact CB-O 3.42Å
31T98.5Very high97.6Very high0 Ų033.3 Ų33.30%018%0.179CC..PPolyproline II helixtrans-65.4131.2176.9-172.50000108.9W11 L33 Y76 H132 C133 T134W11-T31 WeakPolarHBondContact CZ2-O 3.28Å; W11-T31 PolarHBondContact NE1-O 3.22Å; T31-L33 HydrophobicContact CG2-CD2 4.37Å; T31-Y76 HydrophobicContact CG2-CD2 3.64Å; T31-Y76 HydrophobicContact CG2-CE2 3.94Å; T31-Y76 HydrophobicContact CG2-CG 4.05Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3.1Å; T31-H132 WeakPolarHBondContact CA-ND1 3.34Å; T31-H132 WeakPolarHBondContact CB-ND1 3.44Å; T31-H132 PolarHBondContact OG1-CE1 3.21Å; T31-C133 WeakPolarHBondContact CA-O 3.43Å; T31-C133 WeakPolarHBondContact CB-O 3.06Å; T31-C133 PolarHBondContact N-O 2.62Å; T31-T134 PolarHBondContact N-O 2.83Å
32P98.6Very high97.2Very high0 Ų045.3 Ų45.30%022%0.224CC..PPolyproline II helixtrans-64.9166.4163.429.3-32.6000109.4Y48 T49 P50 L53 Y77P32-Y48 CarbonylContact C-O 3.41Å; P32-Y48 WeakPolarHBondContact CA-O 3.41Å; P32-Y48 HydrophobicContact CB-CD1 4.15Å; P32-Y48 HydrophobicContact CB-CE1 4.22Å; P32-Y48 WeakPolarHBondContact CB-O 3.2Å; P32-T49 VanDerWaalsContact CB-C 3.46Å; P32-P50 HydrophobicContact CB-CG 4.05Å; P32-P50 HydrophobicContact CG-CB 4.41Å; P32-P50 HydrophobicContact CG-CG 4Å; P32-L53 HydrophobicContact CB-CD1 4.42Å; P32-L53 HydrophobicContact CG-CD1 3.83Å; P32-Y77 HydrophobicContact CG-CD1 3.78Å; P32-Y77 HydrophobicContact CG-CE1 3.6Å; P32-Y77 VanDerWaalsContact O-CD1 3.29Å; P32-Y77 WeakPolarHBondContact O-CD1 3.12Å
33L98.5Very high97Very high0 Ų044.3 Ų44.30%022%0.219CC..  trans-124.9145.7177.4-62.1178.1000109.4I7 W11 T31 L37 Y48 T49 Y76I7-L33 HydrophobicContact CG1-CD1 4.2Å; I7-L33 HydrophobicContact CG2-CD1 4.27Å; W11-L33 HydrophobicContact CD2-CD1 3.86Å; W11-L33 HydrophobicContact CD2-CG 4.42Å; W11-L33 HydrophobicContact CE3-CD1 3.99Å; W11-L33 HydrophobicContact CH2-CD1 3.77Å; W11-L33 HydrophobicContact CH2-CG 4.16Å; W11-L33 HydrophobicContact CZ2-CD1 3.63Å; W11-L33 HydrophobicContact CZ2-CG 3.6Å; W11-L33 HydrophobicContact CZ3-CD1 3.96Å; T31-L33 HydrophobicContact CG2-CD2 4.37Å; L33-L37 HydrophobicContact CB-CB 3.94Å; L33-L37 HydrophobicContact CD1-CB 4.43Å; L33-L37 HydrophobicContact CD2-CD1 4.08Å; L33-Y48 PolarHBondContact N-O 3.35Å; L33-T49 VanDerWaalsContact O-CA 3.28Å; L33-T49 WeakPolarHBondContact O-CA 3.36Å; L33-Y76 HydrophobicContact CD2-CD1 3.86Å; L33-Y76 HydrophobicContact CD2-CG 4.17Å
34S97.9Very high96.8Very high28 Ų2847.4 Ų47.420%0.19623%0.229CC..  trans-57.7156169.651.50000111.1R36 L37 C38 Y76S34-R36 PolarHBondContact O-N 3.25Å; S34-R36 VanDerWaalsContact O-N 3.16Å; S34-L37 WeakPolarHBondContact O-CA 3.24Å; S34-L37 PolarHBondContact O-N 3.06Å; S34-C38 PolarHBondContact O-N 2.83Å; S34-Y76 WeakPolarHBondContact CB-O 3.28Å; S34-Y76 PolarHBondContact N-O 3.13Å; S34-Y76 PolarHBondContact OG-O 3.14Å; S34-Y76 VanDerWaalsContact OG-O 3.12Å
35E97Very high96.6Very high121 Ų12151.5 Ų51.557%0.56526%0.263SS*.Hα-helixtrans-50.2-42.9175.2-65.5-65173.600112.2L37 C38 S39 T49E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 2.86Å; E35-C38 PolarHBondContact O-N 3.44Å; E35-S39 WeakPolarHBondContact O-CB 3.44Å; E35-S39 PolarHBondContact O-N 3.03Å; E35-T49 HydrophobicContact CG-CG2 4.48Å; E35-T49 WeakPolarHBondContact OE1-CG2 3.21Å
36R97Very high96.4Very high178 Ų17854.6 Ų54.667%0.67228%0.279SS*.Hα-helixtrans-60.4-31.5176.6-173.9-17569.8166.6-3113.9S34 S39S34-R36 PolarHBondContact O-N 3.25Å; S34-R36 VanDerWaalsContact O-N 3.16Å; R36-S39 PolarHBondContact O-OG 3.3Å; R36-S39 VanDerWaalsContact O-OG 3.11Å
37L97.2Very high96.3Very high6 Ų657.3 Ų57.33%0.03129%0.292CS..Hα-helixtrans-85.7-40.1176.4-72.8-176.9000110.9P6 L33 S34 E35 S39 K40 Y76P6-L37 HydrophobicContact CB-CD2 3.58Å; L33-L37 HydrophobicContact CB-CB 3.94Å; L33-L37 HydrophobicContact CD1-CB 4.43Å; L33-L37 HydrophobicContact CD2-CD1 4.08Å; S34-L37 WeakPolarHBondContact O-CA 3.24Å; S34-L37 PolarHBondContact O-N 3.06Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 2.86Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 2.66Å; L37-K40 HydrophobicContact CD2-CD 4.42Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.06Å; L37-Y76 HydrophobicContact CD1-CD1 4.34Å; L37-Y76 WeakPolarHBondContact CD1-O 3.37Å
38C97Very high96.3Very high0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-56.2-40.6172.7-78.30000111.7S34 E35 K40 L41 H47S34-C38 PolarHBondContact O-N 2.83Å; E35-C38 PolarHBondContact O-N 3.44Å; C38-K40 PolarHBondContact O-N 3.45Å; C38-L41 HydrophobicContact CB-CD1 4.45Å; C38-L41 VanDerWaalsContact O-CB 3.23Å; C38-L41 WeakPolarHBondContact O-CB 3.48Å; C38-L41 WeakPolarHBondContact O-CG 3.48Å; C38-L41 PolarHBondContact O-N 3.26Å; C38-H47 HydrophobicContact CB-CB 4.31Å; C38-H47 PolarHBondContact O-NE2 3.25Å; C38-H47 VanDerWaalsContact O-NE2 3.15Å
39S95.7Very high96.3Very high85 Ų8557.7 Ų57.759%0.59429%0.293SS*.THydrogen-bonded Turntrans-62.4-7.9177.482.10000114.9E35 R36 L37E35-S39 WeakPolarHBondContact O-CB 3.44Å; E35-S39 PolarHBondContact O-N 3.03Å; R36-S39 PolarHBondContact O-OG 3.3Å; R36-S39 VanDerWaalsContact O-OG 3.11Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 2.66Å
40K95.1Very high96.3Very high115 Ų11557.9 Ų57.950%0.530%0.295SS..THydrogen-bonded Turntrans-96.1-4.6173.9-57.9-179.8-178.5-175.30112.8P6 I7 L37 C38P6-K40 HydrophobicContact CB-CD 4.01Å; P6-K40 HydrophobicContact CG-CD 4.29Å; I7-K40 HydrophobicContact CD1-CB 3.82Å; L37-K40 HydrophobicContact CD2-CD 4.42Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.06Å; C38-K40 PolarHBondContact O-N 3.45Å
41L93.8Very high96.3Very high29 Ų2960.4 Ų60.415%0.15231%0.306CS..SBendtrans-75.6156.8173.4-64.8166.2000110.1I7 W11 C38 S43 L46I7-L41 HydrophobicContact CD1-CD2 3.69Å; I7-L41 HydrophobicContact CD1-CG 3.93Å; I7-L41 HydrophobicContact CG2-CD2 4.45Å; W11-L41 HydrophobicContact CE3-CD2 4.15Å; W11-L41 HydrophobicContact CH2-CD1 4.22Å; W11-L41 HydrophobicContact CZ3-CD1 3.69Å; W11-L41 HydrophobicContact CZ3-CD2 4.06Å; C38-L41 HydrophobicContact CB-CD1 4.45Å; C38-L41 VanDerWaalsContact O-CB 3.23Å; C38-L41 WeakPolarHBondContact O-CB 3.48Å; C38-L41 WeakPolarHBondContact O-CG 3.48Å; C38-L41 PolarHBondContact O-N 3.26Å; L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 3.33Å; L41-L46 HydrophobicContact CD1-CB 4.08Å; L41-L46 WeakPolarHBondContact CD1-O 3.4Å
42R90.3Very high96.2Very high254 Ų25462.2 Ų62.296%0.95832%0.316SS*.SBendtrans-72.4-18.7-177.7-65.4-179.6179.5153.1-2.3113.8
43S92.7Very high96.3Very high54 Ų5462.2 Ų62.238%0.37832%0.316SS..  trans-150.6141.6-175.4176.50000111L41 A45 L46L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 3.33Å; S43-A45 PolarHBondContact O-N 3.31Å; S43-A45 PolarHBondContact OG-N 2.76Å; S43-L46 WeakPolarHBondContact O-CB 3.37Å; S43-L46 PolarHBondContact O-N 2.82Å; S43-L46 VanDerWaalsContact O-N 3.13Å
44T92.6Very high96.3Very high111 Ų11162.3 Ų62.368%0.68132%0.317SS*.G310 helixtrans-63.8-25.1174.250.70000112.6L46 H47T44-L46 PolarHBondContact O-N 3.23Å; T44-L46 VanDerWaalsContact O-N 3.14Å; T44-H47 VanDerWaalsContact O-CB 3.26Å; T44-H47 WeakPolarHBondContact O-CB 3.38Å; T44-H47 PolarHBondContact O-N 3.02Å
45A93.8Very high96.3Very high90 Ų9064.4 Ų64.474%0.74432%0.323SS*.G310 helixtrans-64-16.7174.400000113.4S43S43-A45 PolarHBondContact O-N 3.31Å; S43-A45 PolarHBondContact OG-N 2.76Å
46L94.5Very high96.4Very high67 Ų6761.9 Ų61.935%0.35131%0.312SS..G310 helixtrans-95.1-2.2175.6-61.6174.5000112.8W11 A12 L41 S43 T44 Y48W11-L46 WeakPolarHBondContact CH2-O 3.37Å; W11-L46 WeakPolarHBondContact CZ3-O 3.44Å; A12-L46 HydrophobicContact CB-CD1 4.21Å; L41-L46 HydrophobicContact CD1-CB 4.08Å; L41-L46 WeakPolarHBondContact CD1-O 3.4Å; S43-L46 WeakPolarHBondContact O-CB 3.37Å; S43-L46 PolarHBondContact O-N 2.82Å; S43-L46 VanDerWaalsContact O-N 3.13Å; T44-L46 PolarHBondContact O-N 3.23Å; T44-L46 VanDerWaalsContact O-N 3.14Å; L46-Y48 PolarHBondContact O-N 2.7Å
47H97.4Very high96.4Very high57 Ų5753.4 Ų53.426%0.26428%0.28SS..  trans-63.2131.4178.6-75.5-155.4000109.6C38 T44C38-H47 HydrophobicContact CB-CB 4.31Å; C38-H47 PolarHBondContact O-NE2 3.25Å; C38-H47 VanDerWaalsContact O-NE2 3.15Å; T44-H47 VanDerWaalsContact O-CB 3.26Å; T44-H47 WeakPolarHBondContact O-CB 3.38Å; T44-H47 PolarHBondContact O-N 3.02Å
48Y98.5Very high96.5Very high7 Ų758.9 Ų58.93%0.02730%0.3CS..  trans-146.889.8176.7-177.1-126.1000108.2W11 A16 F17 S29 K30 P32 L33 L46 N52 L53W11-Y48 HydrophobicContact CZ2-CD1 4.16Å; A16-Y48 HydrophobicContact CB-CD1 4.17Å; A16-Y48 HydrophobicContact CB-CD2 3.69Å; A16-Y48 HydrophobicContact CB-CE1 4.14Å; A16-Y48 HydrophobicContact CB-CE2 3.67Å; A16-Y48 HydrophobicContact CB-CG 3.94Å; F17-Y48 HydrophobicContact CD1-CE2 4.32Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.18Å; S29-Y48 PolarHBondContact OG-OH 3.5Å; K30-Y48 HydrophobicContact CG-CD1 3.99Å; K30-Y48 HydrophobicContact CG-CE1 4.06Å; P32-Y48 CarbonylContact C-O 3.41Å; P32-Y48 WeakPolarHBondContact CA-O 3.41Å; P32-Y48 HydrophobicContact CB-CD1 4.15Å; P32-Y48 HydrophobicContact CB-CE1 4.22Å; P32-Y48 WeakPolarHBondContact CB-O 3.2Å; L33-Y48 PolarHBondContact N-O 3.35Å; L46-Y48 PolarHBondContact O-N 2.7Å; Y48-N52 HydrophobicContact CD2-CB 4.01Å; Y48-L53 HydrophobicContact CE2-CB 3.87Å; Y48-L53 VanDerWaalsContact OH-CG 3.3Å; Y48-L53 WeakPolarHBondContact OH-CG 3.34Å
49T98.4Very high96.5Very high2 Ų265.9 Ų65.91%0.01233%0.33CS..  trans-93.1168.7179.470.60000111.1P32 L33 E35 Q51 N52 L53P32-T49 VanDerWaalsContact CB-C 3.46Å; L33-T49 VanDerWaalsContact O-CA 3.28Å; L33-T49 WeakPolarHBondContact O-CA 3.36Å; E35-T49 HydrophobicContact CG-CG2 4.48Å; E35-T49 WeakPolarHBondContact OE1-CG2 3.21Å; T49-Q51 PolarHBondContact O-N 3Å; T49-Q51 PolarHBondContact OG1-N 2.71Å; T49-N52 PolarHBondContact N-OD1 3.44Å; T49-N52 PolarHBondContact O-N 3.26Å; T49-N52 VanDerWaalsContact O-N 3.09Å; T49-N52 PolarHBondContact OG1-N 2.93Å; T49-N52 PolarHBondContact OG1-OD1 2.88Å; T49-N52 VanDerWaalsContact OG1-OD1 3.08Å; T49-L53 PolarHBondContact O-N 2.65Å
50P98.7Very high96.6Very high4 Ų465.4 Ų65.43%0.02632%0.324CS..Hα-helixtrans-59.2-30.4173.7-26.136.7000112.9P32 L53 V54 Y77 I81 F82P32-P50 HydrophobicContact CB-CG 4.05Å; P32-P50 HydrophobicContact CG-CB 4.41Å; P32-P50 HydrophobicContact CG-CG 4Å; P50-L53 WeakPolarHBondContact O-CB 3.48Å; P50-L53 PolarHBondContact O-N 3.14Å; P50-V54 PolarHBondContact O-N 2.82Å; P50-Y77 HydrophobicContact CG-CD1 4.36Å; P50-Y77 HydrophobicContact CG-CD2 3.92Å; P50-Y77 HydrophobicContact CG-CG 3.74Å; P50-I81 HydrophobicContact CB-CB 4.39Å; P50-I81 HydrophobicContact CB-CD1 3.94Å; P50-I81 HydrophobicContact CB-CG1 4.2Å; P50-I81 HydrophobicContact CB-CG2 3.37Å; P50-I81 HydrophobicContact CG-CD1 4.35Å; P50-I81 HydrophobicContact CG-CG2 3.77Å; P50-F82 HydrophobicContact CB-CE1 3.82Å; P50-F82 HydrophobicContact CB-CE2 4.35Å; P50-F82 HydrophobicContact CB-CZ 3.71Å; P50-F82 HydrophobicContact CG-CZ 4.47Å
51Q98.4Very high96.8Very high60 Ų6061.8 Ų61.828%0.2832%0.319SS..Hα-helixtrans-63-51.2171.1-169.469.629.400110.7T49 L53 V54 E55 L85T49-Q51 PolarHBondContact O-N 3Å; T49-Q51 PolarHBondContact OG1-N 2.71Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.18Å; Q51-V54 PolarHBondContact O-N 2.9Å; Q51-E55 HydrophobicContact CG-CG 4.33Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.37Å; Q51-E55 PolarHBondContact NE2-OE1 2.86Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 WeakPolarHBondContact O-CG 3.45Å; Q51-E55 PolarHBondContact O-N 3.4Å; Q51-L85 VanDerWaalsContact OE1-CD2 3.31Å
52N98.2Very high97Very high39 Ų3962.3 Ų62.321%0.20932%0.321CS..Hα-helixtrans-60.1-37.9177.6-55.5137.3000111.6Y48 T49 V54 E55 E56Y48-N52 HydrophobicContact CD2-CB 4.01Å; T49-N52 PolarHBondContact N-OD1 3.44Å; T49-N52 PolarHBondContact O-N 3.26Å; T49-N52 VanDerWaalsContact O-N 3.09Å; T49-N52 PolarHBondContact OG1-N 2.93Å; T49-N52 PolarHBondContact OG1-OD1 2.88Å; T49-N52 VanDerWaalsContact OG1-OD1 3.08Å; N52-V54 PolarHBondContact O-N 3.32Å; N52-E55 PolarHBondContact O-N 2.9Å; N52-E56 HydrophobicContact CB-CG 4.37Å; N52-E56 WeakPolarHBondContact O-CB 3.43Å; N52-E56 WeakPolarHBondContact O-CG 3.42Å; N52-E56 PolarHBondContact O-N 2.9Å
53L98.8Very high97.3Very high0 Ų052.1 Ų52.10%029%0.285CS..Hα-helixtrans-54.3-51.6175.2-179.2157.6000111.5P32 Y48 T49 P50 Q51 I57 V64 V67 F82 C130P32-L53 HydrophobicContact CB-CD1 4.42Å; P32-L53 HydrophobicContact CG-CD1 3.83Å; Y48-L53 HydrophobicContact CE2-CB 3.87Å; Y48-L53 VanDerWaalsContact OH-CG 3.3Å; Y48-L53 WeakPolarHBondContact OH-CG 3.34Å; T49-L53 PolarHBondContact O-N 2.65Å; P50-L53 WeakPolarHBondContact O-CB 3.48Å; P50-L53 PolarHBondContact O-N 3.14Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.18Å; L53-I57 HydrophobicContact CD2-CD1 4.08Å; L53-I57 HydrophobicContact CG-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CB 3.47Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.3Å; L53-I57 PolarHBondContact O-N 3.33Å; L53-V64 HydrophobicContact CD2-CG1 4.46Å; L53-V64 HydrophobicContact CD2-CG2 4.4Å; L53-V67 HydrophobicContact CD2-CG2 4.1Å; L53-F82 HydrophobicContact CD2-CE1 4.32Å; L53-C130 HydrophobicContact CD2-CB 4.16Å
54V98.7Very high97.6Very high1 Ų149.6 Ų49.61%0.00627%0.268CS..Hα-helixtrans-70.7-43.2-178176.80000111.3P50 Q51 N52 R58 F82 L85 V87P50-V54 PolarHBondContact O-N 2.82Å; Q51-V54 PolarHBondContact O-N 2.9Å; N52-V54 PolarHBondContact O-N 3.32Å; V54-R58 WeakPolarHBondContact O-CB 3.32Å; V54-R58 PolarHBondContact O-N 3.08Å; V54-F82 HydrophobicContact CG2-CD1 4.3Å; V54-F82 HydrophobicContact CG2-CE1 4.17Å; V54-L85 HydrophobicContact CB-CD1 4.24Å; V54-L85 HydrophobicContact CG2-CD1 3.91Å; V54-V87 HydrophobicContact CG2-CG2 4.12Å
55E98.3Very high97.9Very high73 Ų7346.3 Ų46.334%0.34124%0.244SC..Hα-helixtrans-71.4-44.4-176.3-70.8177.2167.500113.3Q51 N52 R58 K59Q51-E55 HydrophobicContact CG-CG 4.33Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.37Å; Q51-E55 PolarHBondContact NE2-OE1 2.86Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 WeakPolarHBondContact O-CG 3.45Å; Q51-E55 PolarHBondContact O-N 3.4Å; N52-E55 PolarHBondContact O-N 2.9Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.91Å; E55-K59 WeakPolarHBondContact O-CG 3.24Å; E55-K59 PolarHBondContact O-N 3.42Å
56E98.4Very high98.1Very high68 Ų6842.5 Ų42.532%0.31821%0.211SC..Hα-helixtrans-69.8-36.1-179.5-61.8-54.6136.400111.3F17 N52 R58 K59F17-E56 HydrophobicContact CE1-CB 3.63Å; F17-E56 HydrophobicContact CZ-CB 4.01Å; N52-E56 HydrophobicContact CB-CG 4.37Å; N52-E56 WeakPolarHBondContact O-CB 3.43Å; N52-E56 WeakPolarHBondContact O-CG 3.42Å; N52-E56 PolarHBondContact O-N 2.9Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-K59 VanDerWaalsContact CD-NZ 3.29Å; E56-K59 WeakPolarHBondContact O-CB 3.35Å; E56-K59 PolarHBondContact O-N 3.38Å; E56-K59 IonicContact OE1-NZ 3.69Å; E56-K59 PolarHBondContact OE1-NZ 3.45Å; E56-K59 WeakPolarHBondContact OE2-CD 3.45Å; E56-K59 IonicContact OE2-NZ 2.65Å; E56-K59 PolarHBondContact OE2-NZ 3.25Å
57I98.6Very high98.3Very high0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-66.2-37.8171.3-69.1171.9000110.8F17 I27 L53 K59 T60 H62 V64 C130F17-I57 HydrophobicContact CD1-CG1 4.14Å; F17-I57 HydrophobicContact CD2-CD1 4.36Å; F17-I57 HydrophobicContact CD2-CG1 3.69Å; F17-I57 HydrophobicContact CE1-CG1 4.2Å; F17-I57 HydrophobicContact CE2-CG1 3.75Å; F17-I57 HydrophobicContact CG-CD1 4.32Å; F17-I57 HydrophobicContact CG-CG1 3.92Å; F17-I57 HydrophobicContact CZ-CG1 4.02Å; I27-I57 HydrophobicContact CD1-CG2 3.45Å; I27-I57 VanDerWaalsContact CD1-CG2 3.45Å; I27-I57 HydrophobicContact CG2-CD1 3.89Å; I27-I57 HydrophobicContact CG2-CG1 4.34Å; L53-I57 HydrophobicContact CD2-CD1 4.08Å; L53-I57 HydrophobicContact CG-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CB 3.47Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.3Å; L53-I57 PolarHBondContact O-N 3.33Å; I57-K59 VanDerWaalsContact C-N 3.26Å; I57-K59 PolarHBondContact O-N 3.14Å; I57-T60 PolarHBondContact O-N 3.25Å; I57-T60 PolarHBondContact O-OG1 3.18Å; I57-H62 CarbonylContact C-O 3.49Å; I57-H62 HydrophobicContact CG2-CB 3.79Å; I57-H62 PolarHBondContact O-N 2.82Å; I57-V64 HydrophobicContact CB-CG2 3.83Å; I57-V64 HydrophobicContact CD1-CG2 3.74Å; I57-V64 HydrophobicContact CG1-CG2 4.38Å; I57-V64 HydrophobicContact CG2-CG2 3.5Å; I57-C130 HydrophobicContact CD1-CB 4.28Å
58R98.3Very high98.4Very high120 Ų12036.6 Ų36.645%0.45318%0.182SC..Hα-helixtrans-60-36.6174.3-175.7172.8-71.9124.72112.7V54 E55 E56 T60 G61 H62 N63V54-R58 WeakPolarHBondContact O-CB 3.32Å; V54-R58 PolarHBondContact O-N 3.08Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.91Å; E56-R58 VanDerWaalsContact C-N 3.34Å; R58-T60 PolarHBondContact O-N 2.94Å; R58-G61 PolarHBondContact O-N 3.42Å; R58-H62 WeakPolarHBondContact CA-O 3.32Å; R58-H62 PolarHBondContact N-O 3.17Å; R58-N63 PolarHBondContact NH2-OD1 2.97Å
59K98.3Very high98.4Very high147 Ų14736.5 Ų36.564%0.63918%0.181SC*.Hα-helixtrans-65-19.9176-68.5171.1-170.31720113.3E55 E56 I57 G61E55-K59 WeakPolarHBondContact O-CG 3.24Å; E55-K59 PolarHBondContact O-N 3.42Å; E56-K59 VanDerWaalsContact CD-NZ 3.29Å; E56-K59 WeakPolarHBondContact O-CB 3.35Å; E56-K59 PolarHBondContact O-N 3.38Å; E56-K59 IonicContact OE1-NZ 3.69Å; E56-K59 PolarHBondContact OE1-NZ 3.45Å; E56-K59 WeakPolarHBondContact OE2-CD 3.45Å; E56-K59 IonicContact OE2-NZ 2.65Å; E56-K59 PolarHBondContact OE2-NZ 3.25Å; I57-K59 VanDerWaalsContact C-N 3.26Å; I57-K59 PolarHBondContact O-N 3.14Å; K59-G61 VanDerWaalsContact C-N 3.29Å
60T97.7Very high98.4Very high75 Ų7536.4 Ų36.446%0.4618%0.181SC..THydrogen-bonded Turntrans-88.48.7173.976.20000113.2F17 I57 R58 H62F17-T60 HydrophobicContact CE2-CG2 4Å; F17-T60 HydrophobicContact CZ-CG2 4.13Å; I57-T60 PolarHBondContact O-N 3.25Å; I57-T60 PolarHBondContact O-OG1 3.18Å; R58-T60 PolarHBondContact O-N 2.94Å; T60-H62 PolarHBondContact OG1-CD2 3.22Å
61G97.6Very high98.3Very high39 Ų3936.3 Ų36.340%0.40218%0.18SC..THydrogen-bonded Turntrans81.521-179.100000114.4R58 K59R58-G61 PolarHBondContact O-N 3.42Å; K59-G61 VanDerWaalsContact C-N 3.29Å
62H98.1Very high98.2Very high40 Ų4036.5 Ų36.519%0.18519%0.192CC..  trans-122.3138178-60.2-38.1000111.9R20 I27 I57 R58 T60 E126 A128R20-H62 WeakPolarHBondContact CB-NE2 3.21Å; I27-H62 HydrophobicContact CD1-CB 3.83Å; I57-H62 CarbonylContact C-O 3.49Å; I57-H62 HydrophobicContact CG2-CB 3.79Å; I57-H62 PolarHBondContact O-N 2.82Å; R58-H62 WeakPolarHBondContact CA-O 3.32Å; R58-H62 PolarHBondContact N-O 3.17Å; T60-H62 PolarHBondContact OG1-CD2 3.22Å; H62-E126 CarbonylContact C-O 3.32Å; H62-E126 WeakPolarHBondContact CA-O 3.35Å; H62-A128 HydrophobicContact CB-CB 4.27Å
63N98Very high98Very high40 Ų4036.4 Ų36.421%0.21419%0.193CC..EExtended strand (participates in β ladder)trans-104.2103.3179.7-163.711.4000109.8R58 K65 E126 A127 A128R58-N63 PolarHBondContact NH2-OD1 2.97Å; N63-K65 VanDerWaalsContact ND2-CE 3.31Å; N63-K65 WeakPolarHBondContact ND2-CE 3.14Å; N63-K65 PolarHBondContact ND2-NZ 3.43Å; N63-K65 PolarHBondContact O-N 2.81Å; N63-K65 VanDerWaalsContact O-N 3.08Å; N63-E126 HydrophobicContact CB-CB 4.49Å; N63-E126 PolarHBondContact N-O 2.87Å; N63-A127 WeakPolarHBondContact O-CA 3.49Å; N63-A128 PolarHBondContact O-N 3.07Å
64V98.6Very high97.9Very high2 Ų242.7 Ų42.71%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-61.9115.5175.3-176.60000108.9L53 I57 M66 V67 V87 C130L53-V64 HydrophobicContact CD2-CG1 4.46Å; L53-V64 HydrophobicContact CD2-CG2 4.4Å; I57-V64 HydrophobicContact CB-CG2 3.83Å; I57-V64 HydrophobicContact CD1-CG2 3.74Å; I57-V64 HydrophobicContact CG1-CG2 4.38Å; I57-V64 HydrophobicContact CG2-CG2 3.5Å; V64-M66 WeakPolarHBondContact CG1-O 3.48Å; V64-V67 HydrophobicContact CG1-CG2 3.82Å; V64-V87 HydrophobicContact CG1-CG1 3.97Å; V64-V87 WeakPolarHBondContact O-CG2 3.29Å; V64-C130 HydrophobicContact CG1-CB 3.99Å; V64-C130 HydrophobicContact CG2-CB 4.44Å
65K98.6Very high97.7Very high42 Ų4246.6 Ų46.618%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-104.6-22.1175.1-62.3-58.9-165.2168.10112.4N63 D88 F115 W119 A127 A128N63-K65 VanDerWaalsContact ND2-CE 3.31Å; N63-K65 WeakPolarHBondContact ND2-CE 3.14Å; N63-K65 PolarHBondContact ND2-NZ 3.43Å; N63-K65 PolarHBondContact O-N 2.81Å; N63-K65 VanDerWaalsContact O-N 3.08Å; K65-D88 PolarHBondContact O-N 3.45Å; K65-F115 HydrophobicContact CB-CE2 3.63Å; K65-F115 HydrophobicContact CB-CZ 4.23Å; K65-W119 HydrophobicContact CB-CD2 4.4Å; K65-W119 HydrophobicContact CB-CZ2 4Å; K65-W119 HydrophobicContact CD-CD2 4.4Å; K65-W119 HydrophobicContact CD-CE3 4.38Å; K65-W119 HydrophobicContact CD-CH2 3.67Å; K65-W119 HydrophobicContact CD-CZ2 3.64Å; K65-W119 HydrophobicContact CD-CZ3 4.04Å; K65-W119 HydrophobicContact CG-CD2 4.07Å; K65-W119 HydrophobicContact CG-CE3 4.41Å; K65-W119 HydrophobicContact CG-CH2 4.35Å; K65-W119 HydrophobicContact CG-CZ2 3.97Å; K65-A127 HydrophobicContact CG-CB 3.85Å; K65-A128 PolarHBondContact N-O 2.87Å
66M98.8Very high97.7Very high10 Ų1043.9 Ų43.95%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-141.7142.5177.2-178.6-177.6-75.200111.4V64 I68 D88 V90 H111 F115 A128 I129 C130V64-M66 WeakPolarHBondContact CG1-O 3.48Å; M66-I68 HydrophobicContact CG-CG1 4.18Å; M66-I68 HydrophobicContact SD-CD1 4.11Å; M66-I68 HydrophobicContact SD-CG1 3.99Å; M66-D88 CarbonylContact C-O 3.44Å; M66-D88 VanDerWaalsContact CA-O 3.24Å; M66-D88 WeakPolarHBondContact CA-O 3.18Å; M66-D88 HydrophobicContact CB-CB 4.29Å; M66-D88 HydrophobicContact CE-CB 4.32Å; M66-D88 HydrophobicContact CG-CB 4.28Å; M66-V90 HydrophobicContact CE-CG2 4.34Å; M66-V90 HydrophobicContact CG-CG2 4.24Å; M66-V90 HydrophobicContact SD-CG2 4.05Å; M66-H111 HydrophobicContact SD-CB 4.38Å; M66-F115 HydrophobicContact CB-CD2 3.71Å; M66-F115 HydrophobicContact CB-CE2 3.94Å; M66-F115 HydrophobicContact CE-CB 3.9Å; M66-F115 HydrophobicContact CE-CD2 4.14Å; M66-F115 HydrophobicContact SD-CB 4.34Å; M66-F115 HydrophobicContact SD-CD2 4.31Å; M66-A128 PolarHBondContact N-O 2.86Å; M66-I129 HydrophobicContact CB-CG1 4.34Å; M66-I129 HydrophobicContact CB-CG2 4.43Å; M66-I129 HydrophobicContact CG-CG2 4.43Å; M66-I129 WeakPolarHBondContact O-CA 3.4Å; M66-I129 HydrophobicContact SD-CG2 4.44Å; M66-C130 PolarHBondContact O-N 2.76Å
67V98.9Very high97.7Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-117.3124.3168.91720000109.5L53 V64 F82 V87 D88 Y89 V90 C130L53-V67 HydrophobicContact CD2-CG2 4.1Å; V64-V67 HydrophobicContact CG1-CG2 3.82Å; V67-F82 HydrophobicContact CB-CD2 4.47Å; V67-F82 HydrophobicContact CB-CE1 4.39Å; V67-F82 HydrophobicContact CB-CE2 4.21Å; V67-F82 HydrophobicContact CB-CZ 4.18Å; V67-F82 HydrophobicContact CG1-CE2 3.86Å; V67-F82 HydrophobicContact CG1-CZ 3.88Å; V67-F82 HydrophobicContact CG2-CD1 3.99Å; V67-F82 HydrophobicContact CG2-CE1 3.67Å; V67-F82 HydrophobicContact CG2-CE2 4.35Å; V67-F82 HydrophobicContact CG2-CZ 3.85Å; V67-V87 HydrophobicContact CB-CG1 4.39Å; V67-V87 HydrophobicContact CG2-CG1 3.79Å; V67-D88 PolarHBondContact N-O 3.14Å; V67-Y89 HydrophobicContact CB-CD2 4.38Å; V67-Y89 HydrophobicContact CG1-CD2 4.23Å; V67-V90 PolarHBondContact O-N 2.94Å; V67-C130 CarbonylContact C-O 3.36Å; V67-C130 WeakPolarHBondContact CA-O 3.43Å; V67-C130 HydrophobicContact CG2-CB 4.13Å
68I98.9Very high97.6Very high0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans-106.3113.2173.5-56.6177.7000109.1M66 L70 V90 I92 F108 V112 I129 C130 V131 H132M66-I68 HydrophobicContact CG-CG1 4.18Å; M66-I68 HydrophobicContact SD-CD1 4.11Å; M66-I68 HydrophobicContact SD-CG1 3.99Å; I68-L70 HydrophobicContact CG2-CD2 3.84Å; I68-L70 HydrophobicContact CG2-CG 4.36Å; I68-V90 HydrophobicContact CG1-CB 4.18Å; I68-V90 HydrophobicContact CG2-CG1 4.5Å; I68-I92 HydrophobicContact CG2-CD1 4.09Å; I68-I92 HydrophobicContact CG2-CG1 4.34Å; I68-F108 HydrophobicContact CB-CE2 4.47Å; I68-F108 HydrophobicContact CD1-CD2 3.92Å; I68-F108 HydrophobicContact CD1-CE2 3.6Å; I68-F108 HydrophobicContact CD1-CZ 4.27Å; I68-F108 HydrophobicContact CG2-CD2 3.97Å; I68-F108 HydrophobicContact CG2-CE2 4.04Å; I68-V112 HydrophobicContact CD1-CG2 4.27Å; I68-I129 HydrophobicContact CD1-CG2 3.69Å; I68-I129 HydrophobicContact CG1-CG2 3.9Å; I68-C130 PolarHBondContact N-O 2.67Å; I68-V131 HydrophobicContact CB-CG1 4.44Å; I68-V131 HydrophobicContact CB-CG2 4.39Å; I68-V131 HydrophobicContact CD1-CG2 4.44Å; I68-H132 PolarHBondContact O-N 3.37Å
69N98.7Very high97.6Very high4 Ų442.4 Ų42.42%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-97.2109.3179.6179.8-0.5000111.2T71 Y77 Y89 V90 K91 I92 H132N69-T71 WeakPolarHBondContact OD1-CB 3.35Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-N 3.09Å; N69-T71 PolarHBondContact OD1-OG1 3.43Å; N69-Y77 PolarHBondContact ND2-OH 3.27Å; N69-Y89 HydrophobicContact CB-CE2 3.73Å; N69-Y89 PolarHBondContact ND2-OH 3.42Å; N69-V90 PolarHBondContact N-O 3.18Å; N69-K91 HydrophobicContact CB-CD 4.06Å; N69-K91 PolarHBondContact ND2-NZ 2.98Å; N69-K91 VanDerWaalsContact ND2-NZ 3.1Å; N69-K91 PolarHBondContact OD1-NZ 3.28Å; N69-I92 PolarHBondContact O-N 3.26Å; N69-H132 WeakPolarHBondContact CB-NE2 3.48Å; N69-H132 PolarHBondContact OD1-CE1 2.83Å
70L98.5Very high97.6Very high1 Ų141 Ų411%0.00523%0.225CC..  trans-95.19-179.2-55.5176.3000113.9I68 I92 V94 F108 V131 H132 C133 R139 F143I68-L70 HydrophobicContact CG2-CD2 3.84Å; I68-L70 HydrophobicContact CG2-CG 4.36Å; L70-I92 CarbonylContact C-O 3.52Å; L70-I92 WeakPolarHBondContact CA-O 3.32Å; L70-I92 HydrophobicContact CD2-CB 3.95Å; L70-I92 HydrophobicContact CD2-CD1 4.26Å; L70-I92 HydrophobicContact CD2-CG1 4.42Å; L70-V94 HydrophobicContact CB-CG2 4.47Å; L70-V94 HydrophobicContact CD2-CG2 4.28Å; L70-F108 HydrophobicContact CD2-CD2 4.46Å; L70-V131 HydrophobicContact CD1-CG1 3.64Å; L70-V131 HydrophobicContact CG-CG1 4.17Å; L70-H132 WeakPolarHBondContact CB-O 3.4Å; L70-H132 PolarHBondContact N-O 3.09Å; L70-C133 HydrophobicContact CB-CB 4.19Å; L70-R139 HydrophobicContact CB-CB 4.34Å; L70-R139 HydrophobicContact CD1-CB 4.25Å; L70-F143 HydrophobicContact CD1-CB 4.03Å; L70-F143 HydrophobicContact CD1-CD2 3.79Å; L70-F143 HydrophobicContact CD1-CE2 4.49Å; L70-F143 HydrophobicContact CD1-CG 3.96Å; L70-F143 HydrophobicContact CD2-CD1 4.38Å; L70-F143 HydrophobicContact CD2-CD2 4.36Å; L70-F143 HydrophobicContact CD2-CG 4.29Å
71T97Very high97.6Very high2 Ų238.9 Ų38.91%0.01221%0.21CC..  trans-75.7143.6-177.361.80000111.6N69 T73 Y76 K91N69-T71 WeakPolarHBondContact OD1-CB 3.35Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-N 3.09Å; N69-T71 PolarHBondContact OD1-OG1 3.43Å; T71-T73 PolarHBondContact O-N 2.95Å; T71-T73 PolarHBondContact OG1-O 3.44Å; T71-Y76 HydrophobicContact CG2-CD2 4.12Å; T71-Y76 HydrophobicContact CG2-CE2 3.9Å; T71-K91 VanDerWaalsContact O-CE 3.22Å; T71-K91 WeakPolarHBondContact O-CE 3.21Å; T71-K91 PolarHBondContact O-NZ 3.15Å; T71-K91 PolarHBondContact OG1-NZ 3.08Å
72A95.4Very high97.6Very high64 Ų6437 Ų3753%0.52919%0.191SC..SBendtrans-79.733.8173.900000113.4
73T94.7Very high97.6Very high36 Ų3639.2 Ų39.222%0.22121%0.211CC..  trans-160.8156.4-178.8-172.80000111.3T71 R75 Y76 K91T71-T73 PolarHBondContact O-N 2.95Å; T71-T73 PolarHBondContact OG1-O 3.44Å; T73-R75 HydrophobicContact CG2-CG 3.93Å; T73-R75 VanDerWaalsContact OG1-CD 3.28Å; T73-R75 WeakPolarHBondContact OG1-CD 3.39Å; T73-R75 VanDerWaalsContact OG1-CG 3.26Å; T73-R75 WeakPolarHBondContact OG1-CG 3.41Å; T73-R75 PolarHBondContact OG1-N 3.45Å; T73-Y76 HydrophobicContact CG2-CD2 3.8Å; T73-Y76 HydrophobicContact CG2-CE1 4.27Å; T73-Y76 HydrophobicContact CG2-CE2 3.28Å; T73-Y76 HydrophobicContact CG2-CG 4.47Å; T73-K91 PolarHBondContact O-NZ 3.26Å
74E95.4Very high97.6Very high133 Ų13345.3 Ų45.362%0.62123%0.231SC*.SBendtrans-109.45.2176.2-61.3176.914400112Y76 M93E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.09Å; E74-M93 HydrophobicContact CG-CE 3.87Å; E74-M93 WeakPolarHBondContact OE1-CE 3.26Å
75R95.7Very high97.5Very high83 Ų8346.9 Ų46.931%0.31324%0.239SC..  trans-76.5-12-169.575-166.4-175.3115.93.1115.5K5 P6 T73K5-R75 PolarHBondContact O-NH1 2.9Å; K5-R75 PolarHBondContact O-NH2 2.88Å; K5-R75 VanDerWaalsContact O-NH2 3.14Å; P6-R75 PolarHBondContact O-NH1 3.02Å; T73-R75 HydrophobicContact CG2-CG 3.93Å; T73-R75 VanDerWaalsContact OG1-CD 3.28Å; T73-R75 WeakPolarHBondContact OG1-CD 3.39Å; T73-R75 VanDerWaalsContact OG1-CG 3.26Å; T73-R75 WeakPolarHBondContact OG1-CG 3.41Å; T73-R75 PolarHBondContact OG1-N 3.45Å
76Y97.3Very high97.5Very high15 Ų1551.7 Ų51.76%0.05927%0.267CS..SBendtrans-78.7-42.7-168.3-64.8-41.3000112.3P8 T31 L33 S34 L37 T71 T73 E74P8-Y76 HydrophobicContact CG-CD1 4.42Å; P8-Y76 HydrophobicContact CG-CE1 3.45Å; P8-Y76 VanDerWaalsContact CG-CE1 3.45Å; P8-Y76 HydrophobicContact CG-CE2 4.5Å; P8-Y76 WeakPolarHBondContact CG-OH 3.4Å; T31-Y76 HydrophobicContact CG2-CD2 3.64Å; T31-Y76 HydrophobicContact CG2-CE2 3.94Å; T31-Y76 HydrophobicContact CG2-CG 4.05Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3.1Å; L33-Y76 HydrophobicContact CD2-CD1 3.86Å; L33-Y76 HydrophobicContact CD2-CG 4.17Å; S34-Y76 WeakPolarHBondContact CB-O 3.28Å; S34-Y76 PolarHBondContact N-O 3.13Å; S34-Y76 PolarHBondContact OG-O 3.14Å; S34-Y76 VanDerWaalsContact OG-O 3.12Å; L37-Y76 HydrophobicContact CD1-CD1 4.34Å; L37-Y76 WeakPolarHBondContact CD1-O 3.37Å; T71-Y76 HydrophobicContact CG2-CD2 4.12Å; T71-Y76 HydrophobicContact CG2-CE2 3.9Å; T73-Y76 HydrophobicContact CG2-CD2 3.8Å; T73-Y76 HydrophobicContact CG2-CE1 4.27Å; T73-Y76 HydrophobicContact CG2-CE2 3.28Å; T73-Y76 HydrophobicContact CG2-CG 4.47Å; E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.09Å
77Y98.1Very high97.5Very high15 Ų1551.5 Ų51.56%0.05927%0.266CS..  trans-158162.5179.759.2-94.2000109.7P32 P50 N69 F82 Y89 H132P32-Y77 HydrophobicContact CG-CD1 3.78Å; P32-Y77 HydrophobicContact CG-CE1 3.6Å; P32-Y77 VanDerWaalsContact O-CD1 3.29Å; P32-Y77 WeakPolarHBondContact O-CD1 3.12Å; P50-Y77 HydrophobicContact CG-CD1 4.36Å; P50-Y77 HydrophobicContact CG-CD2 3.92Å; P50-Y77 HydrophobicContact CG-CG 3.74Å; N69-Y77 PolarHBondContact ND2-OH 3.27Å; Y77-F82 HydrophobicContact CD2-CE2 4.23Å; Y77-F82 HydrophobicContact CE2-CD2 4.22Å; Y77-F82 AromaticContact CE2-CE2 3.47Å; Y77-F82 HydrophobicContact CE2-CE2 3.47Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.47Å; Y77-F82 HydrophobicContact CE2-CZ 4.35Å; Y77-F82 AromaticContact CZ-CE2 3.88Å; Y77-Y89 HydrophobicContact CE2-CE2 4.05Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.37Å; Y77-H132 AromaticContact CE1-CE1 3.83Å; Y77-H132 AromaticContact CE1-NE2 3.86Å; Y77-H132 AromaticContact CZ-NE2 3.65Å; Y77-H132 PolarHBondContact OH-CE1 2.96Å; Y77-H132 VanDerWaalsContact OH-CE1 3.31Å; Y77-H132 PolarHBondContact OH-NE2 3.34Å
78D97.7Very high97.4Very high94 Ų9453.9 Ų53.950%0.50328%0.279SS..  trans-83.3121.9172.2-176.1-16.8000109.6E80 I81D78-E80 PolarHBondContact O-N 3Å; D78-E80 WeakPolarHBondContact OD1-CB 3.25Å; D78-E80 PolarHBondContact OD1-N 2.89Å; D78-I81 WeakPolarHBondContact O-CG2 3.26Å
79P97.7Very high97.4Very high49 Ų4957.1 Ų57.132%0.31829%0.291SS..THydrogen-bonded Turntrans-66.2-17.3-179.628.8-36.3000114.6I81 F82 Y89P79-I81 PolarHBondContact O-N 2.94Å; P79-F82 PolarHBondContact O-N 3.47Å; P79-Y89 HydrophobicContact CB-CD1 3.52Å; P79-Y89 HydrophobicContact CB-CD2 4.15Å; P79-Y89 HydrophobicContact CB-CE1 3.36Å; P79-Y89 HydrophobicContact CB-CE2 4.02Å; P79-Y89 HydrophobicContact CB-CG 3.89Å; P79-Y89 HydrophobicContact CG-CD1 4.45Å; P79-Y89 HydrophobicContact CG-CE1 4.05Å
80E97.9Very high97.4Very high118 Ų11857.4 Ų57.455%0.55129%0.293SS*.Hα-helixtrans-57.7-25.8179.5-169.1-176.1163.100112.6D78 F82 S83 R84D78-E80 PolarHBondContact O-N 3Å; D78-E80 WeakPolarHBondContact OD1-CB 3.25Å; D78-E80 PolarHBondContact OD1-N 2.89Å; E80-F82 PolarHBondContact O-N 2.85Å; E80-S83 WeakPolarHBondContact O-CB 3.43Å; E80-S83 PolarHBondContact O-N 2.88Å; E80-R84 PolarHBondContact O-N 2.87Å; E80-R84 VanDerWaalsContact O-N 3.14Å
81I97.9Very high97.4Very high29 Ų2959.1 Ų59.115%0.14930%0.301CS..Hα-helixtrans-55.1-36172.5-167.6156.3000113.3P50 D78 P79 R84 L85P50-I81 HydrophobicContact CB-CB 4.39Å; P50-I81 HydrophobicContact CB-CD1 3.94Å; P50-I81 HydrophobicContact CB-CG1 4.2Å; P50-I81 HydrophobicContact CB-CG2 3.37Å; P50-I81 HydrophobicContact CG-CD1 4.35Å; P50-I81 HydrophobicContact CG-CG2 3.77Å; D78-I81 WeakPolarHBondContact O-CG2 3.26Å; P79-I81 PolarHBondContact O-N 2.94Å; I81-R84 PolarHBondContact O-N 2.87Å; I81-L85 HydrophobicContact CG1-CD1 4.09Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.45Å; I81-L85 PolarHBondContact O-N 3.4Å; I81-L85 VanDerWaalsContact O-N 3.13Å
82F98.5Very high97.5Very high0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-71.7-36.8179.5-68.5-56.6000111.8P50 L53 V54 V67 Y77 P79 E80 R84 L85 N86 V87 Y89P50-F82 HydrophobicContact CB-CE1 3.82Å; P50-F82 HydrophobicContact CB-CE2 4.35Å; P50-F82 HydrophobicContact CB-CZ 3.71Å; P50-F82 HydrophobicContact CG-CZ 4.47Å; L53-F82 HydrophobicContact CD2-CE1 4.32Å; V54-F82 HydrophobicContact CG2-CD1 4.3Å; V54-F82 HydrophobicContact CG2-CE1 4.17Å; V67-F82 HydrophobicContact CB-CD2 4.47Å; V67-F82 HydrophobicContact CB-CE1 4.39Å; V67-F82 HydrophobicContact CB-CE2 4.21Å; V67-F82 HydrophobicContact CB-CZ 4.18Å; V67-F82 HydrophobicContact CG1-CE2 3.86Å; V67-F82 HydrophobicContact CG1-CZ 3.88Å; V67-F82 HydrophobicContact CG2-CD1 3.99Å; V67-F82 HydrophobicContact CG2-CE1 3.67Å; V67-F82 HydrophobicContact CG2-CE2 4.35Å; V67-F82 HydrophobicContact CG2-CZ 3.85Å; Y77-F82 HydrophobicContact CD2-CE2 4.23Å; Y77-F82 HydrophobicContact CE2-CD2 4.22Å; Y77-F82 AromaticContact CE2-CE2 3.47Å; Y77-F82 HydrophobicContact CE2-CE2 3.47Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.47Å; Y77-F82 HydrophobicContact CE2-CZ 4.35Å; Y77-F82 AromaticContact CZ-CE2 3.88Å; P79-F82 PolarHBondContact O-N 3.47Å; E80-F82 PolarHBondContact O-N 2.85Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.19Å; F82-L85 CarbonylContact O-C 3.59Å; F82-L85 WeakPolarHBondContact O-CA 3.38Å; F82-L85 PolarHBondContact O-N 3.46Å; F82-N86 PolarHBondContact O-N 3.06Å; F82-N86 VanDerWaalsContact O-N 3.15Å; F82-V87 CarbonylContact C-O 3.53Å; F82-V87 HydrophobicContact CB-CB 4.06Å; F82-V87 HydrophobicContact CB-CG1 4.3Å; F82-V87 HydrophobicContact CD1-CB 4.25Å; F82-V87 HydrophobicContact CD1-CG1 4.11Å; F82-V87 HydrophobicContact CG-CG1 4.46Å; F82-V87 PolarHBondContact O-N 2.93Å; F82-Y89 AromaticContact CD2-CD2 3.44Å; F82-Y89 HydrophobicContact CD2-CD2 3.44Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.44Å; F82-Y89 HydrophobicContact CD2-CE2 4.12Å; F82-Y89 HydrophobicContact CD2-CG 4.13Å; F82-Y89 AromaticContact CE2-CD2 3.81Å; F82-Y89 HydrophobicContact CE2-CD2 3.81Å; F82-Y89 HydrophobicContact CE2-CE2 4.11Å; F82-Y89 HydrophobicContact CG-CD2 4.44Å
83S97.4Very high97.5Very high87 Ų8760.5 Ų60.561%0.60830%0.297SS*.Hα-helixtrans-59.6-45.1172.2-179.90000111.4E80 L85 N86E80-S83 WeakPolarHBondContact O-CB 3.43Å; E80-S83 PolarHBondContact O-N 2.88Å; S83-L85 PolarHBondContact O-N 3.23Å; S83-N86 PolarHBondContact O-N 3.29Å
84R97.7Very high97.4Very high167 Ų16759.1 Ų59.163%0.6329%0.289SS*.Hα-helixtrans-62.6-24.9175.3-67.6-176.6-69.5166.8-2.3113.7E80 I81 F82E80-R84 PolarHBondContact O-N 2.87Å; E80-R84 VanDerWaalsContact O-N 3.14Å; I81-R84 PolarHBondContact O-N 2.87Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.19Å
85L97.5Very high97Very high36 Ų3655.9 Ų55.919%0.18829%0.285CS..THydrogen-bonded Turntrans-92.25.6176.2-65.4170.4000113.3Q51 V54 I81 F82 S83 V87Q51-L85 VanDerWaalsContact OE1-CD2 3.31Å; V54-L85 HydrophobicContact CB-CD1 4.24Å; V54-L85 HydrophobicContact CG2-CD1 3.91Å; I81-L85 HydrophobicContact CG1-CD1 4.09Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.45Å; I81-L85 PolarHBondContact O-N 3.4Å; I81-L85 VanDerWaalsContact O-N 3.13Å; F82-L85 CarbonylContact O-C 3.59Å; F82-L85 WeakPolarHBondContact O-CA 3.38Å; F82-L85 PolarHBondContact O-N 3.46Å; S83-L85 PolarHBondContact O-N 3.23Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 HydrophobicContact CB-CG2 4.11Å; L85-V87 PolarHBondContact O-N 2.76Å
86N97.3Very high96.3Very high143 Ų14353.8 Ų53.877%0.76529%0.289SS*.THydrogen-bonded Turntrans56.440.9-174.3-57.2-68.5000113F82 S83F82-N86 PolarHBondContact O-N 3.06Å; F82-N86 VanDerWaalsContact O-N 3.15Å; S83-N86 PolarHBondContact O-N 3.29Å
87V98.6Very high95.5Very high6 Ų662.8 Ų62.84%0.03632%0.323CS..  trans-114.6124.9177.5176.70000108.8V54 V64 V67 F82 L85V54-V87 HydrophobicContact CG2-CG2 4.12Å; V64-V87 HydrophobicContact CG1-CG1 3.97Å; V64-V87 WeakPolarHBondContact O-CG2 3.29Å; V67-V87 HydrophobicContact CB-CG1 4.39Å; V67-V87 HydrophobicContact CG2-CG1 3.79Å; F82-V87 CarbonylContact C-O 3.53Å; F82-V87 HydrophobicContact CB-CB 4.06Å; F82-V87 HydrophobicContact CB-CG1 4.3Å; F82-V87 HydrophobicContact CD1-CB 4.25Å; F82-V87 HydrophobicContact CD1-CG1 4.11Å; F82-V87 HydrophobicContact CG-CG1 4.46Å; F82-V87 PolarHBondContact O-N 2.93Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 HydrophobicContact CB-CG2 4.11Å; L85-V87 PolarHBondContact O-N 2.76Å
88D98.3Very high95.1Very high50 Ų5071.6 Ų71.627%0.26736%0.356SS..EExtended strand (participates in β ladder)trans-63.8135.4173-70.2-26.4000109.2K65 M66 V67 R118K65-D88 PolarHBondContact O-N 3.45Å; M66-D88 CarbonylContact C-O 3.44Å; M66-D88 VanDerWaalsContact CA-O 3.24Å; M66-D88 WeakPolarHBondContact CA-O 3.18Å; M66-D88 HydrophobicContact CB-CB 4.29Å; M66-D88 HydrophobicContact CE-CB 4.32Å; M66-D88 HydrophobicContact CG-CB 4.28Å; V67-D88 PolarHBondContact N-O 3.14Å; D88-R118 IonicContact OD1-NH1 3.22Å; D88-R118 PolarHBondContact OD1-NH1 3.4Å; D88-R118 VanDerWaalsContact OD1-NH1 3.14Å; D88-R118 IonicContact OD2-CZ 3Å; D88-R118 IonicContact OD2-NH1 2.65Å; D88-R118 PolarHBondContact OD2-NH1 2.89Å
89Y98.7Very high94.9Very high67 Ų6769.7 Ų69.726%0.26335%0.348SS..EExtended strand (participates in β ladder)trans-119.3129-179.8173.5-96.7000111V67 N69 Y77 P79 F82 K91V67-Y89 HydrophobicContact CB-CD2 4.38Å; V67-Y89 HydrophobicContact CG1-CD2 4.23Å; N69-Y89 HydrophobicContact CB-CE2 3.73Å; N69-Y89 PolarHBondContact ND2-OH 3.42Å; Y77-Y89 HydrophobicContact CE2-CE2 4.05Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.37Å; P79-Y89 HydrophobicContact CB-CD1 3.52Å; P79-Y89 HydrophobicContact CB-CD2 4.15Å; P79-Y89 HydrophobicContact CB-CE1 3.36Å; P79-Y89 HydrophobicContact CB-CE2 4.02Å; P79-Y89 HydrophobicContact CB-CG 3.89Å; P79-Y89 HydrophobicContact CG-CD1 4.45Å; P79-Y89 HydrophobicContact CG-CE1 4.05Å; F82-Y89 AromaticContact CD2-CD2 3.44Å; F82-Y89 HydrophobicContact CD2-CD2 3.44Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.44Å; F82-Y89 HydrophobicContact CD2-CE2 4.12Å; F82-Y89 HydrophobicContact CD2-CG 4.13Å; F82-Y89 AromaticContact CE2-CD2 3.81Å; F82-Y89 HydrophobicContact CE2-CD2 3.81Å; F82-Y89 HydrophobicContact CE2-CE2 4.11Å; F82-Y89 HydrophobicContact CG-CD2 4.44Å; Y89-K91 HydrophobicContact CE1-CB 3.92Å
90V98.5Very high94.7Very high10 Ų1067.7 Ų67.76%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-123.3133179.7179.60000109.3M66 V67 I68 N69 I92 H111M66-V90 HydrophobicContact CE-CG2 4.34Å; M66-V90 HydrophobicContact CG-CG2 4.24Å; M66-V90 HydrophobicContact SD-CG2 4.05Å; V67-V90 PolarHBondContact O-N 2.94Å; I68-V90 HydrophobicContact CG1-CB 4.18Å; I68-V90 HydrophobicContact CG2-CG1 4.5Å; N69-V90 PolarHBondContact N-O 3.18Å; V90-I92 HydrophobicContact CG1-CD1 4.46Å; V90-I92 HydrophobicContact CG1-CG1 4.04Å; V90-H111 HydrophobicContact CG2-CB 4.43Å; V90-H111 WeakPolarHBondContact CG2-CD2 3.39Å
91K98.5Very high94.5Very high38 Ų3864.5 Ų64.517%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-115.4114.4177.2178.264.5-178.1-169.10110.4N69 T71 T73 Y89 M93N69-K91 HydrophobicContact CB-CD 4.06Å; N69-K91 PolarHBondContact ND2-NZ 2.98Å; N69-K91 VanDerWaalsContact ND2-NZ 3.1Å; N69-K91 PolarHBondContact OD1-NZ 3.28Å; T71-K91 VanDerWaalsContact O-CE 3.22Å; T71-K91 WeakPolarHBondContact O-CE 3.21Å; T71-K91 PolarHBondContact O-NZ 3.15Å; T71-K91 PolarHBondContact OG1-NZ 3.08Å; T73-K91 PolarHBondContact O-NZ 3.26Å; Y89-K91 HydrophobicContact CE1-CB 3.92Å; K91-M93 HydrophobicContact CD-CG 4.46Å; K91-M93 HydrophobicContact CG-CE 4.26Å; K91-M93 HydrophobicContact CG-CG 4.08Å
92I98.1Very high94.2Very high0 Ų067.1 Ų67.10%034%0.342CS..  trans-113.9108.9171.5-48.7-176.7000107.8I68 N69 L70 V90 V94 F104 E107 F108I68-I92 HydrophobicContact CG2-CD1 4.09Å; I68-I92 HydrophobicContact CG2-CG1 4.34Å; N69-I92 PolarHBondContact O-N 3.26Å; L70-I92 CarbonylContact C-O 3.52Å; L70-I92 WeakPolarHBondContact CA-O 3.32Å; L70-I92 HydrophobicContact CD2-CB 3.95Å; L70-I92 HydrophobicContact CD2-CD1 4.26Å; L70-I92 HydrophobicContact CD2-CG1 4.42Å; V90-I92 HydrophobicContact CG1-CD1 4.46Å; V90-I92 HydrophobicContact CG1-CG1 4.04Å; I92-V94 HydrophobicContact CB-CG2 4.38Å; I92-V94 HydrophobicContact CG2-CG2 3.78Å; I92-V94 PolarHBondContact O-N 2.76Å; I92-F104 HydrophobicContact CG2-CB 4.01Å; I92-F104 HydrophobicContact CG2-CD1 3.6Å; I92-F104 HydrophobicContact CG2-CG 4.19Å; I92-E107 HydrophobicContact CD1-CB 4.43Å; I92-E107 HydrophobicContact CD1-CG 4.1Å; I92-E107 HydrophobicContact CG1-CG 4.28Å; I92-F108 HydrophobicContact CD1-CB 3.86Å; I92-F108 HydrophobicContact CD1-CD2 4.19Å
93M95.8Very high94.1Very high95 Ų9572.8 Ų72.847%0.46837%0.372SS..  trans-78.878.8-173.3-63.9-141.3-171.600112.7E74 K91 A95E74-M93 HydrophobicContact CG-CE 3.87Å; E74-M93 WeakPolarHBondContact OE1-CE 3.26Å; K91-M93 HydrophobicContact CD-CG 4.46Å; K91-M93 HydrophobicContact CG-CE 4.26Å; K91-M93 HydrophobicContact CG-CG 4.08Å; M93-A95 PolarHBondContact O-N 3.42Å
94V91.9Very high94Very high6 Ų671.8 Ų71.84%0.03636%0.357CS..  trans-88.7105.5-176.2-168.10000111.7L70 I92 P100 F104 F143L70-V94 HydrophobicContact CB-CG2 4.47Å; L70-V94 HydrophobicContact CD2-CG2 4.28Å; I92-V94 HydrophobicContact CB-CG2 4.38Å; I92-V94 HydrophobicContact CG2-CG2 3.78Å; I92-V94 PolarHBondContact O-N 2.76Å; V94-P100 HydrophobicContact CG1-CB 3.99Å; V94-P100 HydrophobicContact CG1-CG 3.89Å; V94-F104 HydrophobicContact CG2-CG 4.49Å; V94-F143 HydrophobicContact CB-CE2 4.44Å; V94-F143 HydrophobicContact CG1-CE2 4.05Å; V94-F143 HydrophobicContact CG1-CZ 4.26Å; V94-F143 HydrophobicContact CG2-CE2 3.76Å; V94-F143 HydrophobicContact CG2-CZ 3.54Å
95A88.1Confident93.9Very high66 Ų6666 Ų6655%0.54534%0.336SS..  trans-55.3153.1172.800000112.1M93 R139M93-A95 PolarHBondContact O-N 3.42Å; A95-R139 PolarHBondContact O-NE 2.91Å; A95-R139 PolarHBondContact O-NH2 2.9Å
96G80.1Confident93.8Very high39 Ų3967.8 Ų67.840%0.40234%0.344SS..SBendtrans-74.2179.4177.200000114.4R98G96-R98 VanDerWaalsContact C-N 3.3Å; G96-R98 PolarHBondContact O-N 2.65Å
97W80.8Confident93.9Very high203 Ų20364 Ų6477%0.76932%0.321SS*.SBendtrans73-18.5161.2-49.598.9000119.6
98R91Very high93.9Very high201 Ų20163.8 Ų63.876%0.75832%0.32SS*.SBendtrans-121167177.2-62.7-176.8-179.2-175.7-0.4112.2G96 R139G96-R98 VanDerWaalsContact C-N 3.3Å; G96-R98 PolarHBondContact O-N 2.65Å; R98-R139 PolarHBondContact O-NH1 3.35Å; R98-R139 PolarHBondContact O-NH2 3.25Å
99V93.3Very high93.9Very high53 Ų5362.2 Ų62.232%0.32131%0.311SS..PPolyproline II helixtrans-61.9133.2164.2178.80000107.9Y142 Y175 D179V99-Y142 HydrophobicContact CG1-CE2 4.3Å; V99-Y142 VanDerWaalsContact CG1-OH 3.27Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.42Å; V99-Y175 HydrophobicContact CG2-CD2 3.91Å; V99-Y175 HydrophobicContact CG2-CE2 4.35Å; V99-D179 HydrophobicContact CG1-CB 4.45Å; V99-D179 VanDerWaalsContact CG1-OD2 3.29Å; V99-D179 WeakPolarHBondContact CG1-OD2 3.42Å; V99-D179 HydrophobicContact CG2-CB 4.17Å
100P93.6Very high93.9Very high7 Ų765.3 Ų65.35%0.04533%0.328CS..PPolyproline II helixtrans-59.8141.3175.3-21.636.3000111.2V94 R105 Y142 F143V94-P100 HydrophobicContact CG1-CB 3.99Å; V94-P100 HydrophobicContact CG1-CG 3.89Å; P100-R105 PolarHBondContact O-NH1 2.89Å; P100-Y142 HydrophobicContact CB-CE1 4.01Å; P100-Y142 HydrophobicContact CG-CD1 3.6Å; P100-Y142 HydrophobicContact CG-CE1 3.44Å; P100-Y142 VanDerWaalsContact CG-CE1 3.44Å; P100-F143 HydrophobicContact CB-CE2 3.97Å; P100-F143 HydrophobicContact CB-CZ 3.83Å; P100-F143 HydrophobicContact CG-CE2 3.66Å; P100-F143 HydrophobicContact CG-CZ 4.06Å
101A92.6Very high93.9Very high51 Ų5167.5 Ų67.542%0.42134%0.338SS..PPolyproline II helixtrans-60.5157.4173.100000111.6D103 F104A101-D103 VanDerWaalsContact C-N 3.29Å; A101-D103 PolarHBondContact O-N 2.77Å; A101-F104 HydrophobicContact CB-CD2 4Å; A101-F104 HydrophobicContact CB-CE2 4.22Å; A101-F104 PolarHBondContact O-N 3.38Å
102I92.6Very high93.9Very high84 Ų8465.7 Ų65.743%0.43133%0.33SS..Hα-helixtrans-59.5-38.7-178.6-170.6162.7000112.3F104 R105 M106I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 2.88Å; I102-R105 CarbonylContact O-C 3.59Å; I102-R105 WeakPolarHBondContact O-CA 3.3Å; I102-R105 WeakPolarHBondContact O-CB 3.5Å; I102-R105 PolarHBondContact O-N 2.81Å; I102-M106 HydrophobicContact CG1-CG 4.15Å; I102-M106 PolarHBondContact O-N 2.88Å
103D94.9Very high93.9Very high119 Ų11971.1 Ų71.164%0.63635%0.353SS*.Hα-helixtrans-56.3-42.8-179.1-57.2-10.6000112.6A101 R105 M106 E107A101-D103 VanDerWaalsContact C-N 3.29Å; A101-D103 PolarHBondContact O-N 2.77Å; D103-R105 VanDerWaalsContact C-N 3.27Å; D103-R105 PolarHBondContact O-N 3.46Å; D103-M106 PolarHBondContact O-N 3.39Å; D103-E107 WeakPolarHBondContact O-CB 3.28Å; D103-E107 PolarHBondContact O-N 2.85Å
104F96.8Very high94Very high67 Ų6768.9 Ų68.929%0.29435%0.35SS..Hα-helixtrans-63.4-35.9176.2-62.7-59.4000112I92 V94 A101 I102 F108 F143I92-F104 HydrophobicContact CG2-CB 4.01Å; I92-F104 HydrophobicContact CG2-CD1 3.6Å; I92-F104 HydrophobicContact CG2-CG 4.19Å; V94-F104 HydrophobicContact CG2-CG 4.49Å; A101-F104 HydrophobicContact CB-CD2 4Å; A101-F104 HydrophobicContact CB-CE2 4.22Å; A101-F104 PolarHBondContact O-N 3.38Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 2.88Å; F104-F108 PolarHBondContact O-N 3.18Å; F104-F143 HydrophobicContact CB-CE1 4.04Å; F104-F143 HydrophobicContact CB-CZ 3.88Å; F104-F143 WeakPolarHBondContact O-CE1 3.48Å
105R95.2Very high94.3Very high46 Ų4668.7 Ų68.717%0.17435%0.349CS..Hα-helixtrans-70.3-40.9177.3-59.1-166.7-58.7-93.74.1110.8P100 I102 D103 E107 F108 I109 Y142 F143P100-R105 PolarHBondContact O-NH1 2.89Å; I102-R105 CarbonylContact O-C 3.59Å; I102-R105 WeakPolarHBondContact O-CA 3.3Å; I102-R105 WeakPolarHBondContact O-CB 3.5Å; I102-R105 PolarHBondContact O-N 2.81Å; D103-R105 VanDerWaalsContact C-N 3.27Å; D103-R105 PolarHBondContact O-N 3.46Å; R105-E107 VanDerWaalsContact C-N 3.35Å; R105-F108 WeakPolarHBondContact O-CB 3.46Å; R105-F108 PolarHBondContact O-N 3.45Å; R105-I109 WeakPolarHBondContact O-CD1 3.44Å; R105-I109 WeakPolarHBondContact O-CG1 3.21Å; R105-I109 PolarHBondContact O-N 3.31Å; R105-Y142 HydrophobicContact CG-CE1 4.3Å; R105-Y142 PolarHBondContact NH1-OH 3.03Å; R105-F143 HydrophobicContact CG-CE1 4.34Å
106M96.2Very high94.8Very high73 Ų7367.7 Ų67.736%0.3633%0.332SS..Hα-helixtrans-61.2-45.1175.4-66.7-57.5-72.200111.1I102 D103 F108 I109 E110I102-M106 HydrophobicContact CG1-CG 4.15Å; I102-M106 PolarHBondContact O-N 2.88Å; D103-M106 PolarHBondContact O-N 3.39Å; M106-F108 VanDerWaalsContact C-N 3.34Å; M106-F108 PolarHBondContact O-N 3.36Å; M106-I109 PolarHBondContact O-N 3.44Å; M106-I109 HydrophobicContact SD-CD1 4.23Å; M106-E110 WeakPolarHBondContact O-CB 3.49Å; M106-E110 PolarHBondContact O-N 3.25Å
107E98.1Very high95.6Very high63 Ų6373.8 Ų73.829%0.29435%0.35SS..Hα-helixtrans-58.3-45.1173.8-175.2-176.1171.800111.5I92 D103 R105 E110 H111I92-E107 HydrophobicContact CD1-CB 4.43Å; I92-E107 HydrophobicContact CD1-CG 4.1Å; I92-E107 HydrophobicContact CG1-CG 4.28Å; D103-E107 WeakPolarHBondContact O-CB 3.28Å; D103-E107 PolarHBondContact O-N 2.85Å; R105-E107 VanDerWaalsContact C-N 3.35Å; E107-E110 PolarHBondContact O-N 3.34Å; E107-H111 PolarHBondContact O-N 3.14Å; E107-H111 VanDerWaalsContact O-N 3.14Å; E107-H111 PolarHBondContact O-ND1 2.99Å; E107-H111 IonicContact OE1-CE1 2.83Å
108F98.5Very high96.4Very high2 Ų271.9 Ų71.91%0.00934%0.343CS..Hα-helixtrans-60.8-46175.5-176.5-88.9000112.1F26 I68 L70 I92 F104 R105 M106 E110 H111 V112 V131 F143 I144 Y147F26-F108 HydrophobicContact CE1-CE1 4.21Å; F26-F108 AromaticContact CE1-CZ 3.9Å; F26-F108 HydrophobicContact CE1-CZ 3.9Å; F26-F108 HydrophobicContact CZ-CE1 4.26Å; F26-F108 HydrophobicContact CZ-CZ 4.39Å; I68-F108 HydrophobicContact CB-CE2 4.47Å; I68-F108 HydrophobicContact CD1-CD2 3.92Å; I68-F108 HydrophobicContact CD1-CE2 3.6Å; I68-F108 HydrophobicContact CD1-CZ 4.27Å; I68-F108 HydrophobicContact CG2-CD2 3.97Å; I68-F108 HydrophobicContact CG2-CE2 4.04Å; L70-F108 HydrophobicContact CD2-CD2 4.46Å; I92-F108 HydrophobicContact CD1-CB 3.86Å; I92-F108 HydrophobicContact CD1-CD2 4.19Å; F104-F108 PolarHBondContact O-N 3.18Å; R105-F108 WeakPolarHBondContact O-CB 3.46Å; R105-F108 PolarHBondContact O-N 3.45Å; M106-F108 VanDerWaalsContact C-N 3.34Å; M106-F108 PolarHBondContact O-N 3.36Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.33Å; F108-H111 PolarHBondContact O-N 2.92Å; F108-V112 HydrophobicContact CD1-CG2 4.04Å; F108-V112 HydrophobicContact CE1-CG2 3.69Å; F108-V112 HydrophobicContact CZ-CG2 4.02Å; F108-V112 WeakPolarHBondContact O-CG2 3.17Å; F108-V112 PolarHBondContact O-N 2.92Å; F108-V112 VanDerWaalsContact O-N 3.08Å; F108-V131 HydrophobicContact CE2-CG1 3.94Å; F108-V131 HydrophobicContact CE2-CG2 4.02Å; F108-V131 HydrophobicContact CZ-CG1 4.49Å; F108-V131 HydrophobicContact CZ-CG2 4.06Å; F108-F143 HydrophobicContact CB-CD1 3.61Å; F108-F143 HydrophobicContact CB-CE1 4.06Å; F108-F143 HydrophobicContact CD1-CB 4.42Å; F108-F143 HydrophobicContact CD1-CD1 4.34Å; F108-F143 HydrophobicContact CD2-CB 4.02Å; F108-F143 AromaticContact CD2-CD1 3.78Å; F108-F143 HydrophobicContact CD2-CD1 3.78Å; F108-F143 HydrophobicContact CD2-CG 4.26Å; F108-F143 HydrophobicContact CE1-CB 4.37Å; F108-F143 HydrophobicContact CE2-CB 3.97Å; F108-F143 HydrophobicContact CG-CB 4.26Å; F108-F143 AromaticContact CG-CD1 3.66Å; F108-F143 HydrophobicContact CG-CD1 3.66Å; F108-F143 HydrophobicContact CG-CG 4.42Å; F108-F143 HydrophobicContact CZ-CB 4.15Å; F108-I144 HydrophobicContact CZ-CG1 4.42Å; F108-Y147 HydrophobicContact CD1-CD2 4.44Å; F108-Y147 HydrophobicContact CE1-CD2 4.39Å; F108-Y147 HydrophobicContact CE1-CG 4.19Å
109I98.2Very high96.6Very high16 Ų1666.2 Ų66.28%0.08232%0.322CS..Hα-helixtrans-59.6-45.1178.7-69.9161.5000110.7R105 M106 V112 K113 Y147 V151R105-I109 WeakPolarHBondContact O-CD1 3.44Å; R105-I109 WeakPolarHBondContact O-CG1 3.21Å; R105-I109 PolarHBondContact O-N 3.31Å; M106-I109 PolarHBondContact O-N 3.44Å; M106-I109 HydrophobicContact SD-CD1 4.23Å; I109-V112 PolarHBondContact O-N 3.09Å; I109-K113 HydrophobicContact CG2-CD 3.95Å; I109-K113 HydrophobicContact CG2-CG 4.35Å; I109-K113 WeakPolarHBondContact O-CB 3.5Å; I109-K113 WeakPolarHBondContact O-CG 3.17Å; I109-K113 PolarHBondContact O-N 2.81Å; I109-Y147 HydrophobicContact CB-CD2 4.45Å; I109-Y147 HydrophobicContact CG1-CD2 3.9Å; I109-V151 HydrophobicContact CD1-CG2 4.01Å; I109-V151 HydrophobicContact CG1-CG2 3.98Å; I109-V151 HydrophobicContact CG2-CG2 4.14Å
110E98.4Very high96.7Very high133 Ų13370.4 Ų70.462%0.62134%0.342SS*.Hα-helixtrans-59.8-47.7179.5-174.9176.9-16800111.6M106 E107 F108 V112 K113 A114M106-E110 WeakPolarHBondContact O-CB 3.49Å; M106-E110 PolarHBondContact O-N 3.25Å; E107-E110 PolarHBondContact O-N 3.34Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.33Å; E110-V112 VanDerWaalsContact C-N 3.35Å; E110-V112 PolarHBondContact O-N 2.92Å; E110-K113 PolarHBondContact O-N 3.18Å; E110-A114 WeakPolarHBondContact O-CB 2.89Å; E110-A114 PolarHBondContact O-N 2.95Å
111H98.7Very high96.8Very high55 Ų5571.7 Ų71.726%0.25535%0.346SS..Hα-helixtrans-64.2-37.9178.4-72.592.3000112.8M66 V90 E107 F108 F115M66-H111 HydrophobicContact SD-CB 4.38Å; V90-H111 HydrophobicContact CG2-CB 4.43Å; V90-H111 WeakPolarHBondContact CG2-CD2 3.39Å; E107-H111 PolarHBondContact O-N 3.14Å; E107-H111 VanDerWaalsContact O-N 3.14Å; E107-H111 PolarHBondContact O-ND1 2.99Å; E107-H111 IonicContact OE1-CE1 2.83Å; F108-H111 PolarHBondContact O-N 2.92Å; H111-F115 WeakPolarHBondContact O-CB 3.37Å; H111-F115 PolarHBondContact O-N 3.39Å
112V98.6Very high97Very high0 Ų071.7 Ų71.70%034%0.343CS..Hα-helixtrans-69-40.1176179.50000111.1F26 I68 F108 I109 E110 F115 K116 I129 Y147F26-V112 HydrophobicContact CE1-CG1 4.16Å; F26-V112 HydrophobicContact CE1-CG2 3.74Å; F26-V112 HydrophobicContact CZ-CG1 3.78Å; F26-V112 HydrophobicContact CZ-CG2 3.91Å; I68-V112 HydrophobicContact CD1-CG2 4.27Å; F108-V112 HydrophobicContact CD1-CG2 4.04Å; F108-V112 HydrophobicContact CE1-CG2 3.69Å; F108-V112 HydrophobicContact CZ-CG2 4.02Å; F108-V112 WeakPolarHBondContact O-CG2 3.17Å; F108-V112 PolarHBondContact O-N 2.92Å; F108-V112 VanDerWaalsContact O-N 3.08Å; I109-V112 PolarHBondContact O-N 3.09Å; E110-V112 VanDerWaalsContact C-N 3.35Å; E110-V112 PolarHBondContact O-N 2.92Å; V112-F115 WeakPolarHBondContact O-CB 3.29Å; V112-F115 PolarHBondContact O-N 3.45Å; V112-K116 WeakPolarHBondContact O-CG 3.28Å; V112-K116 PolarHBondContact O-N 3.31Å; V112-I129 HydrophobicContact CB-CD1 4.34Å; V112-I129 HydrophobicContact CG1-CD1 3.98Å; V112-I129 HydrophobicContact CG2-CD1 4.04Å; V112-Y147 HydrophobicContact CB-CD2 4.33Å; V112-Y147 HydrophobicContact CB-CE2 3.79Å; V112-Y147 HydrophobicContact CG1-CD2 4.41Å; V112-Y147 HydrophobicContact CG1-CE1 3.95Å; V112-Y147 HydrophobicContact CG1-CE2 3.65Å; V112-Y147 VanDerWaalsContact CG1-OH 3.28Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.07Å; V112-Y147 HydrophobicContact CG2-CE2 4.45Å
113K98.2Very high97Very high114 Ų11471.4 Ų71.450%0.49635%0.347SS..Hα-helixtrans-62.5-48.3174.9-75.6179176-179.50111.1I109 E110 F115 K116 E117I109-K113 HydrophobicContact CG2-CD 3.95Å; I109-K113 HydrophobicContact CG2-CG 4.35Å; I109-K113 WeakPolarHBondContact O-CB 3.5Å; I109-K113 WeakPolarHBondContact O-CG 3.17Å; I109-K113 PolarHBondContact O-N 2.81Å; E110-K113 PolarHBondContact O-N 3.18Å; K113-F115 VanDerWaalsContact C-N 3.3Å; K113-F115 PolarHBondContact O-N 2.8Å; K113-K116 PolarHBondContact O-N 2.83Å; K113-K116 VanDerWaalsContact O-N 3.12Å; K113-E117 PolarHBondContact O-N 2.73Å
114A98.3Very high96.8Very high49 Ų4973.1 Ų73.141%0.40536%0.356SS..Hα-helixtrans-60.7-38.8176.900000112.3E110 R118E110-A114 WeakPolarHBondContact O-CB 2.89Å; E110-A114 PolarHBondContact O-N 2.95Å; A114-R118 WeakPolarHBondContact O-CB 3.49Å; A114-R118 PolarHBondContact O-N 3.49Å
115F98.5Very high96.6Very high1 Ų172.5 Ų72.50%0.00436%0.356CS..Hα-helixtrans-58.8-51.9171.5173.6-82000111.6P25 K65 M66 H111 V112 K113 E117 R118 W119 Y121 A127 I129P25-F115 HydrophobicContact CB-CE1 3.92Å; P25-F115 HydrophobicContact CB-CZ 4.36Å; P25-F115 HydrophobicContact CG-CE1 4.48Å; K65-F115 HydrophobicContact CB-CE2 3.63Å; K65-F115 HydrophobicContact CB-CZ 4.23Å; M66-F115 HydrophobicContact CB-CD2 3.71Å; M66-F115 HydrophobicContact CB-CE2 3.94Å; M66-F115 HydrophobicContact CE-CB 3.9Å; M66-F115 HydrophobicContact CE-CD2 4.14Å; M66-F115 HydrophobicContact SD-CB 4.34Å; M66-F115 HydrophobicContact SD-CD2 4.31Å; H111-F115 WeakPolarHBondContact O-CB 3.37Å; H111-F115 PolarHBondContact O-N 3.39Å; V112-F115 WeakPolarHBondContact O-CB 3.29Å; V112-F115 PolarHBondContact O-N 3.45Å; K113-F115 VanDerWaalsContact C-N 3.3Å; K113-F115 PolarHBondContact O-N 2.8Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 2.93Å; F115-R118 PolarHBondContact O-N 3.11Å; F115-W119 AromaticContact CD2-CD1 3.75Å; F115-W119 AromaticContact CE2-CD1 3.9Å; F115-W119 PolarHBondContact O-N 3.25Å; F115-Y121 AromaticContact CE1-CD2 3.99Å; F115-Y121 HydrophobicContact CE1-CD2 3.99Å; F115-Y121 HydrophobicContact CE1-CG 4.39Å; F115-A127 HydrophobicContact CZ-CB 4.06Å; F115-I129 HydrophobicContact CB-CD1 3.97Å; F115-I129 HydrophobicContact CB-CG1 4.5Å; F115-I129 HydrophobicContact CD1-CD1 3.68Å; F115-I129 HydrophobicContact CD1-CG1 3.85Å; F115-I129 HydrophobicContact CD2-CD1 3.93Å; F115-I129 HydrophobicContact CD2-CG1 3.52Å; F115-I129 HydrophobicContact CE1-CD1 4.11Å; F115-I129 HydrophobicContact CE1-CG1 3.84Å; F115-I129 HydrophobicContact CE2-CD1 4.24Å; F115-I129 HydrophobicContact CE2-CG1 3.4Å; F115-I129 HydrophobicContact CG-CD1 3.6Å; F115-I129 HydrophobicContact CG-CG1 3.72Å; F115-I129 HydrophobicContact CZ-CD1 4.37Å; F115-I129 HydrophobicContact CZ-CG1 3.62Å
116K97.8Very high96.6Very high46 Ų4676 Ų7620%0.237%0.374CS..Hα-helixtrans-61-41.8-176.3-76.2-176.4171-172.40111V112 K113 N120 Y121 Y147 E152V112-K116 WeakPolarHBondContact O-CG 3.28Å; V112-K116 PolarHBondContact O-N 3.31Å; K113-K116 PolarHBondContact O-N 2.83Å; K113-K116 VanDerWaalsContact O-N 3.12Å; K116-N120 WeakPolarHBondContact O-CA 3.45Å; K116-N120 PolarHBondContact O-N 3.32Å; K116-N120 VanDerWaalsContact O-N 3.11Å; K116-Y121 HydrophobicContact CD-CD1 4.32Å; K116-Y121 HydrophobicContact CG-CD1 3.95Å; K116-Y121 HydrophobicContact CG-CG 4.21Å; K116-Y121 PolarHBondContact O-N 2.96Å; K116-Y147 WeakPolarHBondContact CE-OH 3.03Å; K116-Y147 PolarHBondContact NZ-OH 3.39Å; K116-Y147 VanDerWaalsContact NZ-OH 3.14Å; K116-E152 IonicContact NZ-OE1 3.16Å; K116-E152 PolarHBondContact NZ-OE1 3.37Å; K116-E152 IonicContact NZ-OE2 4Å; K116-E152 PolarHBondContact NZ-OE2 3.01Å
117E97.6Very high96.7Very high166 Ų16672.5 Ų72.578%0.77636%0.357SS*.Hα-helixtrans-65.2-53.4175.7-176.6178-17700111.9K113 F115 W119 N120K113-E117 PolarHBondContact O-N 2.73Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 2.93Å; E117-W119 VanDerWaalsContact C-N 3.27Å; E117-W119 PolarHBondContact O-N 3.47Å; E117-N120 PolarHBondContact O-N 2.94Å; E117-N120 VanDerWaalsContact O-N 3.11Å
118R97.1Very high96.7Very high164 Ų16469.5 Ų69.562%0.61934%0.343SS*.Hα-helixtrans-58.2-38.6-176.8179.7175-175.8178.22.7113.1D88 A114 F115D88-R118 IonicContact OD1-NH1 3.22Å; D88-R118 PolarHBondContact OD1-NH1 3.4Å; D88-R118 VanDerWaalsContact OD1-NH1 3.14Å; D88-R118 IonicContact OD2-CZ 3Å; D88-R118 IonicContact OD2-NH1 2.65Å; D88-R118 PolarHBondContact OD2-NH1 2.89Å; A114-R118 WeakPolarHBondContact O-CB 3.49Å; A114-R118 PolarHBondContact O-N 3.49Å; F115-R118 PolarHBondContact O-N 3.11Å
119W95.2Very high96.8Very high82 Ų8269.4 Ų69.431%0.31134%0.343SS..THydrogen-bonded Turntrans-96.33-178-66.8103000113.4K65 F115 E117 Y121K65-W119 HydrophobicContact CB-CD2 4.4Å; K65-W119 HydrophobicContact CB-CZ2 4Å; K65-W119 HydrophobicContact CD-CD2 4.4Å; K65-W119 HydrophobicContact CD-CE3 4.38Å; K65-W119 HydrophobicContact CD-CH2 3.67Å; K65-W119 HydrophobicContact CD-CZ2 3.64Å; K65-W119 HydrophobicContact CD-CZ3 4.04Å; K65-W119 HydrophobicContact CG-CD2 4.07Å; K65-W119 HydrophobicContact CG-CE3 4.41Å; K65-W119 HydrophobicContact CG-CH2 4.35Å; K65-W119 HydrophobicContact CG-CZ2 3.97Å; F115-W119 AromaticContact CD2-CD1 3.75Å; F115-W119 AromaticContact CE2-CD1 3.9Å; F115-W119 PolarHBondContact O-N 3.25Å; E117-W119 VanDerWaalsContact C-N 3.27Å; E117-W119 PolarHBondContact O-N 3.47Å; W119-Y121 PolarHBondContact O-N 3.05Å
120N95.5Very high96.8Very high141 Ų14168.7 Ų68.775%0.75434%0.339SS*.THydrogen-bonded Turntrans45.347.1-171.8-171.756.9000111.5K116 E117K116-N120 WeakPolarHBondContact O-CA 3.45Å; K116-N120 PolarHBondContact O-N 3.32Å; K116-N120 VanDerWaalsContact O-N 3.11Å; E117-N120 PolarHBondContact O-N 2.94Å; E117-N120 VanDerWaalsContact O-N 3.11Å
121Y96.9Very high96.8Very high33 Ų3362.3 Ų62.313%0.12931%0.309CS..  trans-59.8137.1-166.6170.3-93.7000112R20 G23 T24 P25 F115 K116 W119 D125R20-Y121 VanDerWaalsContact NH2-CE2 3.3Å; R20-Y121 PolarHBondContact NH2-OH 3.45Å; G23-Y121 PolarHBondContact O-OH 2.99Å; T24-Y121 WeakPolarHBondContact CA-OH 3.46Å; T24-Y121 PolarHBondContact O-OH 2.99Å; P25-Y121 HydrophobicContact CB-CD2 4.2Å; P25-Y121 HydrophobicContact CB-CE2 3.63Å; P25-Y121 HydrophobicContact CG-CE2 4.34Å; P25-Y121 VanDerWaalsContact N-OH 3.08Å; F115-Y121 AromaticContact CE1-CD2 3.99Å; F115-Y121 HydrophobicContact CE1-CD2 3.99Å; F115-Y121 HydrophobicContact CE1-CG 4.39Å; K116-Y121 HydrophobicContact CD-CD1 4.32Å; K116-Y121 HydrophobicContact CG-CD1 3.95Å; K116-Y121 HydrophobicContact CG-CG 4.21Å; K116-Y121 PolarHBondContact O-N 2.96Å; W119-Y121 PolarHBondContact O-N 3.05Å; Y121-D125 HydrophobicContact CD2-CB 4.26Å; Y121-D125 HydrophobicContact CE2-CB 4.46Å
122S95.6Very high96.8Very high52 Ų5259.7 Ų59.736%0.36430%0.297SS..  trans-127.2157.8166.472.30000110.7D124 D125S122-D124 PolarHBondContact O-N 3.47Å; S122-D124 VanDerWaalsContact O-N 3.11Å; S122-D125 WeakPolarHBondContact O-CB 3.47Å; S122-D125 PolarHBondContact O-N 3.08Å
123P92.1Very high96.8Very high77 Ų7760.2 Ų60.250%0.530%0.3SS..THydrogen-bonded Turntrans-52.7-29.8177.1-3138.6000115.3R20R20-P123 PolarHBondContact NH2-O 3.09Å
124D91.1Very high96.7Very high156 Ų15656.5 Ų56.583%0.83429%0.287SS*.THydrogen-bonded Turntrans-87.8-6.2-179.7-59.3-44.6000113.5S122S122-D124 PolarHBondContact O-N 3.47Å; S122-D124 VanDerWaalsContact O-N 3.11Å
125D92.5Very high96.7Very high53 Ų5356 Ų5628%0.28328%0.276SS..  trans-69142.8177.8-163.4-44.1000110.8R20 Y121 S122 A127R20-D125 VanDerWaalsContact CZ-O 3.27Å; R20-D125 PolarHBondContact NH1-O 3Å; R20-D125 PolarHBondContact NH2-O 3.14Å; Y121-D125 HydrophobicContact CD2-CB 4.26Å; Y121-D125 HydrophobicContact CE2-CB 4.46Å; S122-D125 WeakPolarHBondContact O-CB 3.47Å; S122-D125 PolarHBondContact O-N 3.08Å; D125-A127 VanDerWaalsContact C-N 3.26Å; D125-A127 PolarHBondContact O-N 3.28Å; D125-A127 WeakPolarHBondContact OD1-CB 3.29Å; D125-A127 PolarHBondContact OD1-N 3.16Å
126E96.5Very high96.7Very high119 Ų11955.9 Ų55.956%0.55628%0.276SS*.  trans-72.1-17.9173.9-61.3-179.817300113.1H62 N63 A128H62-E126 CarbonylContact C-O 3.32Å; H62-E126 WeakPolarHBondContact CA-O 3.35Å; N63-E126 HydrophobicContact CB-CB 4.49Å; N63-E126 PolarHBondContact N-O 2.87Å; E126-A128 PolarHBondContact O-N 3.26Å
127A98.1Very high96.7Very high1 Ų153.7 Ų53.71%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-60.6123.6-178.200000111.6N63 K65 F115 D125N63-A127 WeakPolarHBondContact O-CA 3.49Å; K65-A127 HydrophobicContact CG-CB 3.85Å; F115-A127 HydrophobicContact CZ-CB 4.06Å; D125-A127 VanDerWaalsContact C-N 3.26Å; D125-A127 PolarHBondContact O-N 3.28Å; D125-A127 WeakPolarHBondContact OD1-CB 3.29Å; D125-A127 PolarHBondContact OD1-N 3.16Å
128A98.5Very high96.7Very high0 Ų046.9 Ų46.90%024%0.235CC..EExtended strand (participates in β ladder)trans-125149.8-17600000112.9P25 I27 H62 N63 K65 M66 E126P25-A128 CarbonylContact O-C 3.56Å; P25-A128 VanDerWaalsContact O-CA 3.32Å; P25-A128 WeakPolarHBondContact O-CA 3.42Å; I27-A128 HydrophobicContact CD1-CB 3.61Å; I27-A128 HydrophobicContact CG1-CB 4.17Å; H62-A128 HydrophobicContact CB-CB 4.27Å; N63-A128 PolarHBondContact O-N 3.07Å; K65-A128 PolarHBondContact N-O 2.87Å; M66-A128 PolarHBondContact N-O 2.86Å; E126-A128 PolarHBondContact O-N 3.26Å
129I98.8Very high96.8Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-103.3113.3166.4-56.6174.5000107.5P25 F26 I27 M66 I68 V112 F115 V131P25-I129 HydrophobicContact CB-CB 4.5Å; P25-I129 HydrophobicContact CB-CD1 4.22Å; P25-I129 HydrophobicContact CB-CG1 4.04Å; P25-I129 HydrophobicContact CG-CD1 3.86Å; P25-I129 HydrophobicContact CG-CG1 4.23Å; P25-I129 PolarHBondContact O-N 3.35Å; F26-I129 WeakPolarHBondContact CA-O 3.47Å; F26-I129 HydrophobicContact CD1-CB 4.19Å; F26-I129 HydrophobicContact CD1-CG2 4.41Å; F26-I129 HydrophobicContact CE1-CD1 4.09Å; I27-I129 PolarHBondContact N-O 3.39Å; M66-I129 HydrophobicContact CB-CG1 4.34Å; M66-I129 HydrophobicContact CB-CG2 4.43Å; M66-I129 HydrophobicContact CG-CG2 4.43Å; M66-I129 WeakPolarHBondContact O-CA 3.4Å; M66-I129 HydrophobicContact SD-CG2 4.44Å; I68-I129 HydrophobicContact CD1-CG2 3.69Å; I68-I129 HydrophobicContact CG1-CG2 3.9Å; V112-I129 HydrophobicContact CB-CD1 4.34Å; V112-I129 HydrophobicContact CG1-CD1 3.98Å; V112-I129 HydrophobicContact CG2-CD1 4.04Å; F115-I129 HydrophobicContact CB-CD1 3.97Å; F115-I129 HydrophobicContact CB-CG1 4.5Å; F115-I129 HydrophobicContact CD1-CD1 3.68Å; F115-I129 HydrophobicContact CD1-CG1 3.85Å; F115-I129 HydrophobicContact CD2-CD1 3.93Å; F115-I129 HydrophobicContact CD2-CG1 3.52Å; F115-I129 HydrophobicContact CE1-CD1 4.11Å; F115-I129 HydrophobicContact CE1-CG1 3.84Å; F115-I129 HydrophobicContact CE2-CD1 4.24Å; F115-I129 HydrophobicContact CE2-CG1 3.4Å; F115-I129 HydrophobicContact CG-CD1 3.6Å; F115-I129 HydrophobicContact CG-CG1 3.72Å; F115-I129 HydrophobicContact CZ-CD1 4.37Å; F115-I129 HydrophobicContact CZ-CG1 3.62Å; I129-V131 HydrophobicContact CG2-CG2 3.85Å
130C98.9Very high96.9Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-85.2115.4170.4174.80000109.6I27 S29 L53 I57 V64 M66 V67 I68I27-C130 WeakPolarHBondContact O-CA 3.36Å; S29-C130 WeakPolarHBondContact CB-SG 3.36Å; L53-C130 HydrophobicContact CD2-CB 4.16Å; I57-C130 HydrophobicContact CD1-CB 4.28Å; V64-C130 HydrophobicContact CG1-CB 3.99Å; V64-C130 HydrophobicContact CG2-CB 4.44Å; M66-C130 PolarHBondContact O-N 2.76Å; V67-C130 CarbonylContact C-O 3.36Å; V67-C130 WeakPolarHBondContact CA-O 3.43Å; V67-C130 HydrophobicContact CG2-CB 4.13Å; I68-C130 PolarHBondContact N-O 2.67Å
131V98.9Very high97.1Very high0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-105.8126.3178.1-174.10000108.8F26 I27 S29 I68 L70 F108 I129 T140 I144F26-V131 HydrophobicContact CD1-CG2 3.92Å; F26-V131 HydrophobicContact CE1-CG2 4.43Å; I27-V131 PolarHBondContact O-N 3.31Å; S29-V131 PolarHBondContact N-O 3.12Å; I68-V131 HydrophobicContact CB-CG1 4.44Å; I68-V131 HydrophobicContact CB-CG2 4.39Å; I68-V131 HydrophobicContact CD1-CG2 4.44Å; L70-V131 HydrophobicContact CD1-CG1 3.64Å; L70-V131 HydrophobicContact CG-CG1 4.17Å; F108-V131 HydrophobicContact CE2-CG1 3.94Å; F108-V131 HydrophobicContact CE2-CG2 4.02Å; F108-V131 HydrophobicContact CZ-CG1 4.49Å; F108-V131 HydrophobicContact CZ-CG2 4.06Å; I129-V131 HydrophobicContact CG2-CG2 3.85Å; V131-T140 HydrophobicContact CB-CG2 4.16Å; V131-T140 HydrophobicContact CG1-CG2 4.12Å; V131-T140 WeakPolarHBondContact O-CG2 3.41Å; V131-I144 HydrophobicContact CB-CD1 4.03Å; V131-I144 HydrophobicContact CB-CG1 4.33Å; V131-I144 HydrophobicContact CG1-CD1 4.49Å; V131-I144 HydrophobicContact CG1-CG1 4.48Å; V131-I144 HydrophobicContact CG2-CD1 4.21Å; V131-I144 HydrophobicContact CG2-CG1 4.16Å
132H98.8Very high97.1Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-134.6151-179.78382.6000114S29 T31 I68 N69 L70 Y77 T140S29-H132 WeakPolarHBondContact O-CA 3.48Å; S29-H132 WeakPolarHBondContact O-CB 3.35Å; T31-H132 WeakPolarHBondContact CA-ND1 3.34Å; T31-H132 WeakPolarHBondContact CB-ND1 3.44Å; T31-H132 PolarHBondContact OG1-CE1 3.21Å; I68-H132 PolarHBondContact O-N 3.37Å; N69-H132 WeakPolarHBondContact CB-NE2 3.48Å; N69-H132 PolarHBondContact OD1-CE1 2.83Å; L70-H132 WeakPolarHBondContact CB-O 3.4Å; L70-H132 PolarHBondContact N-O 3.09Å; Y77-H132 AromaticContact CE1-CE1 3.83Å; Y77-H132 AromaticContact CE1-NE2 3.86Å; Y77-H132 AromaticContact CZ-NE2 3.65Å; Y77-H132 PolarHBondContact OH-CE1 2.96Å; Y77-H132 VanDerWaalsContact OH-CE1 3.31Å; Y77-H132 PolarHBondContact OH-NE2 3.34Å; H132-T140 WeakPolarHBondContact CA-OG1 3.45Å
133C97.8Very high97.3Very high10 Ų1025.6 Ų25.67%0.06814%0.136CC..EExtended strand (participates in β ladder)trans-128-161.3164760000108.3K30 T31 L70 H135 G136 R139 T140K30-C133 CarbonylContact C-O 3.55Å; T31-C133 WeakPolarHBondContact CA-O 3.43Å; T31-C133 WeakPolarHBondContact CB-O 3.06Å; T31-C133 PolarHBondContact N-O 2.62Å; L70-C133 HydrophobicContact CB-CB 4.19Å; C133-H135 VanDerWaalsContact C-N 3.33Å; C133-H135 PolarHBondContact O-N 3.24Å; C133-G136 PolarHBondContact SG-N 3.25Å; C133-R139 HydrophobicContact CB-CB 3.71Å; C133-T140 PolarHBondContact N-OG1 3.42Å; C133-T140 PolarHBondContact SG-OG1 3.42Å
134T97.2Very high97.6Very high36 Ų3622 Ų2222%0.22111%0.113CC..SBendtrans-57.8-46.2-178.3-55.20000112.2P8 T31P8-T134 HydrophobicContact CB-CG2 3.43Å; P8-T134 VanDerWaalsContact CB-CG2 3.43Å; P8-T134 HydrophobicContact CG-CG2 3.6Å; T31-T134 PolarHBondContact N-O 2.83Å
135H97.8Very high98Very high38 Ų3814.5 Ų14.518%0.1767%0.073CC..SBendtrans-113.2-8.9-177.1-54.9106.1000113.1D9 Y14 K30 C133 V137 R167D9-H135 PolarHBondContact O-NE2 3.34Å; Y14-H135 HydrophobicContact CD1-CB 4.18Å; Y14-H135 HydrophobicContact CD2-CB 3.83Å; Y14-H135 AromaticContact CD2-CD2 3.43Å; Y14-H135 VanDerWaalsContact CD2-CD2 3.43Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.48Å; Y14-H135 AromaticContact CD2-CG 3.92Å; Y14-H135 HydrophobicContact CE1-CB 4.15Å; Y14-H135 HydrophobicContact CE2-CB 3.78Å; Y14-H135 AromaticContact CE2-CD2 3.25Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.16Å; Y14-H135 AromaticContact CE2-CG 3.62Å; Y14-H135 HydrophobicContact CG-CB 4.03Å; K30-H135 WeakPolarHBondContact CB-O 3.42Å; C133-H135 VanDerWaalsContact C-N 3.33Å; C133-H135 PolarHBondContact O-N 3.24Å; H135-V137 VanDerWaalsContact C-N 3.33Å; H135-V137 HydrophobicContact CB-CG2 4.45Å; H135-R167 PolarHBondContact O-NH2 3.34Å
136G98.3Very high98.2Very high0 Ų012.5 Ų12.50%06%0.062CC..SBendtrans75.119.7-178.700000114.9S29 C133 T140 R167S29-G136 VanDerWaalsContact C-CA 3.49Å; S29-G136 WeakPolarHBondContact O-CA 3.48Å; C133-G136 PolarHBondContact SG-N 3.25Å; G136-T140 WeakPolarHBondContact CA-OG1 3.31Å; G136-R167 WeakPolarHBondContact O-CD 3.33Å; G136-R167 PolarHBondContact O-NE 2.77Å
137V98.3Very high98.2Very high0 Ų07 Ų70%04%0.036CC..SBendtrans-114-80-174-177.70000109.9Y14 H135 G141 H169 K170Y14-V137 HydrophobicContact CD1-CG2 3.7Å; Y14-V137 HydrophobicContact CE1-CG2 3.63Å; H135-V137 VanDerWaalsContact C-N 3.33Å; H135-V137 HydrophobicContact CB-CG2 4.45Å; V137-G141 WeakPolarHBondContact O-CA 3.33Å; V137-G141 PolarHBondContact O-N 3.12Å; V137-H169 HydrophobicContact CG1-CB 4.48Å; V137-H169 HydrophobicContact CG2-CB 3.68Å; V137-K170 WeakPolarHBondContact CG1-O 3.43Å
138N97.7Very high98.2Very high22 Ų227 Ų712%0.1184%0.036CC..Hα-helixtrans-67-57.9-167-65.6-64.5000114.3Y142 F171 T172 R173 L176N138-Y142 WeakPolarHBondContact O-CB 3.48Å; N138-Y142 PolarHBondContact O-N 2.86Å; N138-F171 WeakPolarHBondContact O-CE1 3.49Å; N138-T172 PolarHBondContact ND2-OG1 3.12Å; N138-T172 PolarHBondContact OD1-N 2.84Å; N138-R173 HydrophobicContact CB-CB 4.45Å; N138-R173 HydrophobicContact CB-CG 4.04Å; N138-R173 VanDerWaalsContact CG-CG 3.46Å; N138-R173 WeakPolarHBondContact OD1-CB 3.44Å; N138-R173 WeakPolarHBondContact OD1-CG 3.35Å; N138-R173 PolarHBondContact OD1-N 3.1Å; N138-R173 VanDerWaalsContact OD1-N 3.12Å; N138-L176 HydrophobicContact CB-CD1 3.84Å
139R97.8Very high98.1Very high22 Ų227.1 Ų7.18%0.0834%0.036CC..Hα-helixtrans-69-44179-67.8-59.5-170.6-152.91.5112L70 A95 R98 C133 G141 Y142 F143L70-R139 HydrophobicContact CB-CB 4.34Å; L70-R139 HydrophobicContact CD1-CB 4.25Å; A95-R139 PolarHBondContact O-NE 2.91Å; A95-R139 PolarHBondContact O-NH2 2.9Å; R98-R139 PolarHBondContact O-NH1 3.35Å; R98-R139 PolarHBondContact O-NH2 3.25Å; C133-R139 HydrophobicContact CB-CB 3.71Å; R139-G141 PolarHBondContact O-N 2.94Å; R139-Y142 PolarHBondContact O-N 2.98Å; R139-F143 VanDerWaalsContact O-CD2 3.29Å; R139-F143 WeakPolarHBondContact O-CD2 3.32Å; R139-F143 PolarHBondContact O-N 3.03Å
140T98.6Very high97.9Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-54-53.9176.4-61.70000111.4P28 V131 H132 C133 G136 F143 I144 F163P28-T140 HydrophobicContact CB-CG2 3.48Å; P28-T140 VanDerWaalsContact CB-CG2 3.48Å; V131-T140 HydrophobicContact CB-CG2 4.16Å; V131-T140 HydrophobicContact CG1-CG2 4.12Å; V131-T140 WeakPolarHBondContact O-CG2 3.41Å; H132-T140 WeakPolarHBondContact CA-OG1 3.45Å; C133-T140 PolarHBondContact N-OG1 3.42Å; C133-T140 PolarHBondContact SG-OG1 3.42Å; G136-T140 WeakPolarHBondContact CA-OG1 3.31Å; T140-F143 PolarHBondContact O-N 2.9Å; T140-I144 HydrophobicContact CG2-CD1 3.82Å; T140-I144 WeakPolarHBondContact O-CG1 3.5Å; T140-I144 PolarHBondContact O-N 3.26Å; T140-I144 VanDerWaalsContact O-N 3.11Å; T140-F163 HydrophobicContact CG2-CE2 4.16Å; T140-F163 HydrophobicContact CG2-CZ 4.36Å
141G98.6Very high97.7Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-64.2-42177.600000112.6V137 R139 F143 I144 C145 F163 F171V137-G141 WeakPolarHBondContact O-CA 3.33Å; V137-G141 PolarHBondContact O-N 3.12Å; R139-G141 PolarHBondContact O-N 2.94Å; G141-F143 PolarHBondContact O-N 3.47Å; G141-I144 PolarHBondContact O-N 3.32Å; G141-C145 WeakPolarHBondContact O-CB 3.47Å; G141-C145 PolarHBondContact O-N 3.32Å; G141-C145 PolarHBondContact O-SG 3.07Å; G141-F163 VanDerWaalsContact N-CZ 3.33Å; G141-F171 VanDerWaalsContact C-CZ 3.43Å
142Y98.2Very high97.5Very high0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-55.9-49.6178.5178-94.5000112.6V99 P100 R105 N138 R139 K146 L176 D179 I180V99-Y142 HydrophobicContact CG1-CE2 4.3Å; V99-Y142 VanDerWaalsContact CG1-OH 3.27Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.42Å; P100-Y142 HydrophobicContact CB-CE1 4.01Å; P100-Y142 HydrophobicContact CG-CD1 3.6Å; P100-Y142 HydrophobicContact CG-CE1 3.44Å; P100-Y142 VanDerWaalsContact CG-CE1 3.44Å; R105-Y142 HydrophobicContact CG-CE1 4.3Å; R105-Y142 PolarHBondContact NH1-OH 3.03Å; N138-Y142 WeakPolarHBondContact O-CB 3.48Å; N138-Y142 PolarHBondContact O-N 2.86Å; R139-Y142 PolarHBondContact O-N 2.98Å; Y142-K146 HydrophobicContact CD1-CG 4.44Å; Y142-K146 HydrophobicContact CD2-CG 4.16Å; Y142-K146 HydrophobicContact CE1-CG 4.03Å; Y142-K146 HydrophobicContact CE2-CD 4.22Å; Y142-K146 HydrophobicContact CE2-CG 3.75Å; Y142-K146 VanDerWaalsContact O-CB 3.28Å; Y142-K146 WeakPolarHBondContact O-CB 3.48Å; Y142-K146 VanDerWaalsContact O-CG 3.3Å; Y142-K146 WeakPolarHBondContact O-CG 3.23Å; Y142-K146 PolarHBondContact O-N 3.42Å; Y142-L176 HydrophobicContact CD2-CB 3.97Å; Y142-L176 HydrophobicContact CD2-CD2 3.67Å; Y142-L176 HydrophobicContact CD2-CG 4.32Å; Y142-L176 HydrophobicContact CE2-CD2 4.07Å; Y142-L176 HydrophobicContact CG-CD2 4.03Å; Y142-D179 HydrophobicContact CE2-CB 4.12Å; Y142-D179 VanDerWaalsContact CE2-OD2 3.22Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.49Å; Y142-D179 PolarHBondContact OH-OD2 3.46Å; Y142-I180 HydrophobicContact CD2-CD1 4.19Å; Y142-I180 HydrophobicContact CD2-CG1 3.98Å; Y142-I180 HydrophobicContact CE2-CG1 4.34Å
143F98.7Very high97.3Very high4 Ų416.6 Ų16.62%0.01810%0.099CC..Hα-helixtrans-68.9-43.1-178.3-83.2-98.9000112.4L70 V94 P100 F104 R105 F108 R139 T140 G141 Y147L70-F143 HydrophobicContact CD1-CB 4.03Å; L70-F143 HydrophobicContact CD1-CD2 3.79Å; L70-F143 HydrophobicContact CD1-CE2 4.49Å; L70-F143 HydrophobicContact CD1-CG 3.96Å; L70-F143 HydrophobicContact CD2-CD1 4.38Å; L70-F143 HydrophobicContact CD2-CD2 4.36Å; L70-F143 HydrophobicContact CD2-CG 4.29Å; V94-F143 HydrophobicContact CB-CE2 4.44Å; V94-F143 HydrophobicContact CG1-CE2 4.05Å; V94-F143 HydrophobicContact CG1-CZ 4.26Å; V94-F143 HydrophobicContact CG2-CE2 3.76Å; V94-F143 HydrophobicContact CG2-CZ 3.54Å; P100-F143 HydrophobicContact CB-CE2 3.97Å; P100-F143 HydrophobicContact CB-CZ 3.83Å; P100-F143 HydrophobicContact CG-CE2 3.66Å; P100-F143 HydrophobicContact CG-CZ 4.06Å; F104-F143 HydrophobicContact CB-CE1 4.04Å; F104-F143 HydrophobicContact CB-CZ 3.88Å; F104-F143 WeakPolarHBondContact O-CE1 3.48Å; R105-F143 HydrophobicContact CG-CE1 4.34Å; F108-F143 HydrophobicContact CB-CD1 3.61Å; F108-F143 HydrophobicContact CB-CE1 4.06Å; F108-F143 HydrophobicContact CD1-CB 4.42Å; F108-F143 HydrophobicContact CD1-CD1 4.34Å; F108-F143 HydrophobicContact CD2-CB 4.02Å; F108-F143 AromaticContact CD2-CD1 3.78Å; F108-F143 HydrophobicContact CD2-CD1 3.78Å; F108-F143 HydrophobicContact CD2-CG 4.26Å; F108-F143 HydrophobicContact CE1-CB 4.37Å; F108-F143 HydrophobicContact CE2-CB 3.97Å; F108-F143 HydrophobicContact CG-CB 4.26Å; F108-F143 AromaticContact CG-CD1 3.66Å; F108-F143 HydrophobicContact CG-CD1 3.66Å; F108-F143 HydrophobicContact CG-CG 4.42Å; F108-F143 HydrophobicContact CZ-CB 4.15Å; R139-F143 VanDerWaalsContact O-CD2 3.29Å; R139-F143 WeakPolarHBondContact O-CD2 3.32Å; R139-F143 PolarHBondContact O-N 3.03Å; T140-F143 PolarHBondContact O-N 2.9Å; G141-F143 PolarHBondContact O-N 3.47Å; F143-Y147 WeakPolarHBondContact O-CB 3.43Å; F143-Y147 PolarHBondContact O-N 3.38Å
144I98.8Very high97.2Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-63.1-52.2176.8-68.2165.6000110.6I21 F26 P28 F108 V131 T140 G141 K146 Y147 L148 F163I21-I144 HydrophobicContact CD1-CD1 4.44Å; I21-I144 HydrophobicContact CD1-CG2 3.62Å; F26-I144 HydrophobicContact CB-CD1 4.02Å; F26-I144 HydrophobicContact CB-CG1 4.22Å; F26-I144 HydrophobicContact CB-CG2 4.22Å; F26-I144 HydrophobicContact CD1-CG1 4.16Å; F26-I144 HydrophobicContact CD2-CG2 3.8Å; F26-I144 HydrophobicContact CE2-CG2 4.37Å; F26-I144 HydrophobicContact CG-CD1 4.41Å; F26-I144 HydrophobicContact CG-CG1 4.06Å; F26-I144 HydrophobicContact CG-CG2 4.07Å; P28-I144 HydrophobicContact CB-CD1 4.16Å; F108-I144 HydrophobicContact CZ-CG1 4.42Å; V131-I144 HydrophobicContact CB-CD1 4.03Å; V131-I144 HydrophobicContact CB-CG1 4.33Å; V131-I144 HydrophobicContact CG1-CD1 4.49Å; V131-I144 HydrophobicContact CG1-CG1 4.48Å; V131-I144 HydrophobicContact CG2-CD1 4.21Å; V131-I144 HydrophobicContact CG2-CG1 4.16Å; T140-I144 HydrophobicContact CG2-CD1 3.82Å; T140-I144 WeakPolarHBondContact O-CG1 3.5Å; T140-I144 PolarHBondContact O-N 3.26Å; T140-I144 VanDerWaalsContact O-N 3.11Å; G141-I144 PolarHBondContact O-N 3.32Å; I144-K146 PolarHBondContact O-N 2.82Å; I144-Y147 PolarHBondContact O-N 3.31Å; I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 HydrophobicContact CG2-CG 4.25Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 3.37Å; I144-F163 HydrophobicContact CD1-CD2 4.44Å; I144-F163 HydrophobicContact CD1-CE2 4.12Å
145C98.4Very high97.1Very high0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-63.4-43.2-177.4-63.30000111.9G141 Y147 L148 V149 V159 I180G141-C145 WeakPolarHBondContact O-CB 3.47Å; G141-C145 PolarHBondContact O-N 3.32Å; G141-C145 PolarHBondContact O-SG 3.07Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 2.93Å; C145-L148 PolarHBondContact O-N 2.95Å; C145-V149 VanDerWaalsContact O-CG2 3.3Å; C145-V149 WeakPolarHBondContact O-CG2 3.43Å; C145-V149 PolarHBondContact O-N 2.85Å; C145-V159 HydrophobicContact CB-CG1 3.83Å; C145-V159 HydrophobicContact CB-CG2 4.19Å; C145-I180 HydrophobicContact CB-CD1 3.82Å; C145-I180 HydrophobicContact CB-CG1 4.18Å; C145-I180 HydrophobicContact CB-CG2 3.99Å
146K96.9Very high97Very high11 Ų1121.3 Ų21.35%0.04812%0.117CC..Hα-helixtrans-61.3-41.9175.7-76.5-67.9-651770111.9Y142 I144 N150 I180 S183Y142-K146 HydrophobicContact CD1-CG 4.44Å; Y142-K146 HydrophobicContact CD2-CG 4.16Å; Y142-K146 HydrophobicContact CE1-CG 4.03Å; Y142-K146 HydrophobicContact CE2-CD 4.22Å; Y142-K146 HydrophobicContact CE2-CG 3.75Å; Y142-K146 VanDerWaalsContact O-CB 3.28Å; Y142-K146 WeakPolarHBondContact O-CB 3.48Å; Y142-K146 VanDerWaalsContact O-CG 3.3Å; Y142-K146 WeakPolarHBondContact O-CG 3.23Å; Y142-K146 PolarHBondContact O-N 3.42Å; I144-K146 PolarHBondContact O-N 2.82Å; K146-N150 WeakPolarHBondContact CE-OD1 3.23Å; K146-N150 PolarHBondContact NZ-OD1 2.81Å; K146-N150 VanDerWaalsContact O-CB 3.29Å; K146-N150 WeakPolarHBondContact O-CB 3.49Å; K146-N150 PolarHBondContact O-N 3.27Å; K146-N150 PolarHBondContact O-OD1 2.77Å; K146-I180 HydrophobicContact CD-CG1 4.2Å; K146-I180 HydrophobicContact CG-CG1 4.12Å; K146-S183 WeakPolarHBondContact CD-OG 3.45Å; K146-S183 PolarHBondContact NZ-OG 3.03Å
147Y97.7Very high97Very high3 Ų326.2 Ų26.21%0.01214%0.139CC..Hα-helixtrans-59.8-50.9174.8172.8-88.1000111.3F26 F108 I109 V112 K116 F143 I144 C145 V149 N150 V151 E152F26-Y147 AromaticContact CE2-CD1 3.52Å; F26-Y147 HydrophobicContact CE2-CD1 3.52Å; F26-Y147 AromaticContact CE2-CE1 3.74Å; F26-Y147 HydrophobicContact CE2-CE1 3.74Å; F26-Y147 HydrophobicContact CE2-CG 4.45Å; F26-Y147 AromaticContact CZ-CD1 3.53Å; F26-Y147 HydrophobicContact CZ-CD1 3.53Å; F26-Y147 AromaticContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CG 4.12Å; F108-Y147 HydrophobicContact CD1-CD2 4.44Å; F108-Y147 HydrophobicContact CE1-CD2 4.39Å; F108-Y147 HydrophobicContact CE1-CG 4.19Å; I109-Y147 HydrophobicContact CB-CD2 4.45Å; I109-Y147 HydrophobicContact CG1-CD2 3.9Å; V112-Y147 HydrophobicContact CB-CD2 4.33Å; V112-Y147 HydrophobicContact CB-CE2 3.79Å; V112-Y147 HydrophobicContact CG1-CD2 4.41Å; V112-Y147 HydrophobicContact CG1-CE1 3.95Å; V112-Y147 HydrophobicContact CG1-CE2 3.65Å; V112-Y147 VanDerWaalsContact CG1-OH 3.28Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.07Å; V112-Y147 HydrophobicContact CG2-CE2 4.45Å; K116-Y147 WeakPolarHBondContact CE-OH 3.03Å; K116-Y147 PolarHBondContact NZ-OH 3.39Å; K116-Y147 VanDerWaalsContact NZ-OH 3.14Å; F143-Y147 WeakPolarHBondContact O-CB 3.43Å; F143-Y147 PolarHBondContact O-N 3.38Å; I144-Y147 PolarHBondContact O-N 3.31Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 2.93Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.45Å; Y147-N150 PolarHBondContact O-N 3.31Å; Y147-V151 HydrophobicContact CD2-CB 4.18Å; Y147-V151 HydrophobicContact CD2-CG2 3.95Å; Y147-V151 HydrophobicContact CE2-CB 4.04Å; Y147-V151 HydrophobicContact CE2-CG1 3.96Å; Y147-V151 HydrophobicContact CE2-CG2 4.13Å; Y147-V151 WeakPolarHBondContact O-CA 3.45Å; Y147-V151 VanDerWaalsContact O-CB 3.24Å; Y147-V151 WeakPolarHBondContact O-CB 3.39Å; Y147-V151 PolarHBondContact O-N 3.13Å; Y147-E152 HydrophobicContact CD1-CG 4.17Å; Y147-E152 HydrophobicContact CE1-CG 3.58Å; Y147-E152 PolarHBondContact OH-OE1 3.4Å
148L97.3Very high96.9Very high2 Ų229.2 Ų29.21%0.0115%0.154CC..Hα-helixtrans-63.8-37.4-177-69.1175.2000112.5I21 T24 F26 I144 C145 E152 G153 W154 V159I21-L148 HydrophobicContact CG2-CD1 4.41Å; T24-L148 HydrophobicContact CG2-CD1 4.11Å; T24-L148 HydrophobicContact CG2-CD2 3.56Å; F26-L148 HydrophobicContact CD2-CD2 4.26Å; F26-L148 HydrophobicContact CD2-CG 4.49Å; F26-L148 HydrophobicContact CE2-CD2 3.91Å; F26-L148 HydrophobicContact CE2-CG 4.25Å; I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 HydrophobicContact CG2-CG 4.25Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 3.37Å; C145-L148 PolarHBondContact O-N 2.95Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; L148-E152 HydrophobicContact CD2-CG 4.08Å; L148-E152 CarbonylContact O-C 3.49Å; L148-E152 VanDerWaalsContact O-C 3.32Å; L148-E152 WeakPolarHBondContact O-CA 3.29Å; L148-E152 WeakPolarHBondContact O-CB 3.39Å; L148-E152 PolarHBondContact O-N 2.79Å; L148-G153 PolarHBondContact O-N 2.97Å; L148-G153 VanDerWaalsContact O-N 3.09Å; L148-W154 HydrophobicContact CB-CB 4.23Å; L148-W154 HydrophobicContact CB-CD2 4.19Å; L148-W154 HydrophobicContact CB-CG 4.04Å; L148-W154 HydrophobicContact CD1-CD2 4.44Å; L148-W154 HydrophobicContact CD1-CE3 4.22Å; L148-W154 HydrophobicContact CD1-CZ3 4.31Å; L148-W154 HydrophobicContact CD2-CD2 4.46Å; L148-W154 HydrophobicContact CD2-CZ2 4.46Å; L148-W154 WeakPolarHBondContact O-CB 3.29Å; L148-W154 PolarHBondContact O-N 2.96Å; L148-V159 HydrophobicContact CB-CG2 3.78Å; L148-V159 HydrophobicContact CD1-CG2 3.49Å; L148-V159 VanDerWaalsContact CD1-CG2 3.49Å; L148-V159 HydrophobicContact CG-CG2 4.27Å
149V96.2Very high96.9Very high2 Ų228.2 Ų28.21%0.01215%0.148CC..Hα-helixtrans-71.4-53.4176.4176.80000111C145 Y147 G153 A156 V159 S183C145-V149 VanDerWaalsContact O-CG2 3.3Å; C145-V149 WeakPolarHBondContact O-CG2 3.43Å; C145-V149 PolarHBondContact O-N 2.85Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.45Å; V149-G153 WeakPolarHBondContact O-CA 3.42Å; V149-G153 PolarHBondContact O-N 3.31Å; V149-A156 HydrophobicContact CG2-CB 4.17Å; V149-V159 HydrophobicContact CG2-CB 4.46Å; V149-V159 HydrophobicContact CG2-CG1 3.56Å; V149-S183 VanDerWaalsContact CG1-CB 3.5Å
150N94.5Very high96.9Very high18 Ų1827.9 Ų27.910%0.09615%0.148CC..Hα-helixtrans-82.4-22.7-169-68.3137.7000114.6K146 Y147 D184 V188K146-N150 WeakPolarHBondContact CE-OD1 3.23Å; K146-N150 PolarHBondContact NZ-OD1 2.81Å; K146-N150 VanDerWaalsContact O-CB 3.29Å; K146-N150 WeakPolarHBondContact O-CB 3.49Å; K146-N150 PolarHBondContact O-N 3.27Å; K146-N150 PolarHBondContact O-OD1 2.77Å; Y147-N150 PolarHBondContact O-N 3.31Å; N150-D184 PolarHBondContact ND2-O 2.92Å; N150-D184 VanDerWaalsContact ND2-O 3.09Å; N150-V188 HydrophobicContact CB-CB 4.4Å; N150-V188 HydrophobicContact CB-CG2 3.54Å
151V95.1Very high96.9Very high43 Ų4334 Ų3426%0.26117%0.171SC..THydrogen-bonded Turntrans-110.4-37-177-174.50000111.7I109 Y147I109-V151 HydrophobicContact CD1-CG2 4.01Å; I109-V151 HydrophobicContact CG1-CG2 3.98Å; I109-V151 HydrophobicContact CG2-CG2 4.14Å; Y147-V151 HydrophobicContact CD2-CB 4.18Å; Y147-V151 HydrophobicContact CD2-CG2 3.95Å; Y147-V151 HydrophobicContact CE2-CB 4.04Å; Y147-V151 HydrophobicContact CE2-CG1 3.96Å; Y147-V151 HydrophobicContact CE2-CG2 4.13Å; Y147-V151 WeakPolarHBondContact O-CA 3.45Å; Y147-V151 VanDerWaalsContact O-CB 3.24Å; Y147-V151 WeakPolarHBondContact O-CB 3.39Å; Y147-V151 PolarHBondContact O-N 3.13Å
152E94.7Very high96.9Very high81 Ų8136 Ų3638%0.37918%0.18SC..THydrogen-bonded Turntrans-104.6-0.6-176.4-51.3-74.2141.900112.9K116 Y147 L148 W154K116-E152 IonicContact NZ-OE1 3.16Å; K116-E152 PolarHBondContact NZ-OE1 3.37Å; K116-E152 IonicContact NZ-OE2 4Å; K116-E152 PolarHBondContact NZ-OE2 3.01Å; Y147-E152 HydrophobicContact CD1-CG 4.17Å; Y147-E152 HydrophobicContact CE1-CG 3.58Å; Y147-E152 PolarHBondContact OH-OE1 3.4Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; L148-E152 HydrophobicContact CD2-CG 4.08Å; L148-E152 CarbonylContact O-C 3.49Å; L148-E152 VanDerWaalsContact O-C 3.32Å; L148-E152 WeakPolarHBondContact O-CA 3.29Å; L148-E152 WeakPolarHBondContact O-CB 3.39Å; L148-E152 PolarHBondContact O-N 2.79Å; E152-W154 PolarHBondContact O-N 2.65Å
153G94.2Very high97Very high57 Ų5736 Ų3659%0.58818%0.181SC*.  trans71.622.6174.100000115.1L148 V149L148-G153 PolarHBondContact O-N 2.97Å; L148-G153 VanDerWaalsContact O-N 3.09Å; V149-G153 WeakPolarHBondContact O-CA 3.42Å; V149-G153 PolarHBondContact O-N 3.31Å
154W95.9Very high97Very high75 Ų7537.9 Ų37.928%0.28419%0.189SC..  trans-71.5148.9178.4-72.138.1000111.6I21 P22 T24 L148 E152 V159I21-W154 HydrophobicContact CG2-CH2 4.1Å; I21-W154 HydrophobicContact CG2-CZ3 4.19Å; P22-W154 VanDerWaalsContact O-CH2 3.32Å; P22-W154 WeakPolarHBondContact O-CH2 3.33Å; T24-W154 HydrophobicContact CG2-CH2 3.71Å; T24-W154 HydrophobicContact CG2-CZ2 3.57Å; L148-W154 HydrophobicContact CB-CB 4.23Å; L148-W154 HydrophobicContact CB-CD2 4.19Å; L148-W154 HydrophobicContact CB-CG 4.04Å; L148-W154 HydrophobicContact CD1-CD2 4.44Å; L148-W154 HydrophobicContact CD1-CE3 4.22Å; L148-W154 HydrophobicContact CD1-CZ3 4.31Å; L148-W154 HydrophobicContact CD2-CD2 4.46Å; L148-W154 HydrophobicContact CD2-CZ2 4.46Å; L148-W154 WeakPolarHBondContact O-CB 3.29Å; L148-W154 PolarHBondContact O-N 2.96Å; E152-W154 PolarHBondContact O-N 2.65Å; W154-V159 HydrophobicContact CB-CB 4.42Å; W154-V159 HydrophobicContact CE3-CB 4.15Å; W154-V159 HydrophobicContact CE3-CG2 3.9Å
155E95.5Very high97Very high96 Ų9644.8 Ų44.845%0.44922%0.222SC..  trans-70.4133174-166.8-79.4120.100110.6H157 E158 V159 R161E155-H157 VanDerWaalsContact CD-N 3.32Å; E155-H157 PolarHBondContact O-N 3.15Å; E155-H157 WeakPolarHBondContact OE1-CB 3.3Å; E155-H157 IonicContact OE1-CD2 2.66Å; E155-H157 PolarHBondContact OE1-CD2 3.46Å; E155-H157 VanDerWaalsContact OE1-CD2 3.31Å; E155-H157 IonicContact OE1-CG 3.14Å; E155-H157 PolarHBondContact OE1-N 3.36Å; E155-H157 WeakPolarHBondContact OE2-CB 3.2Å; E155-H157 PolarHBondContact OE2-N 2.93Å; E155-E158 HydrophobicContact CB-CB 4.29Å; E155-E158 PolarHBondContact O-N 2.86Å; E155-E158 WeakPolarHBondContact OE2-CB 3.34Å; E155-E158 PolarHBondContact OE2-N 2.8Å; E155-V159 PolarHBondContact O-N 3.46Å; E155-R161 IonicContact OE2-NH2 3.31Å
156A96.4Very high97Very high12 Ų1245.2 Ų45.210%0.09922%0.224CC..Hα-helixtrans-63.7-42.4-168.900000113.7V149 V159 I160 L181V149-A156 HydrophobicContact CG2-CB 4.17Å; A156-V159 VanDerWaalsContact O-CG1 3.23Å; A156-V159 WeakPolarHBondContact O-CG1 3.22Å; A156-I160 VanDerWaalsContact O-CD1 3.31Å; A156-I160 WeakPolarHBondContact O-CD1 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.4Å; A156-I160 PolarHBondContact O-N 3.04Å; A156-L181 HydrophobicContact CB-CD2 4.04Å
157H97Very high97.1Very high102 Ų10244.8 Ų44.847%0.47222%0.223SC..Hα-helixtrans-68.1-41.9177.3-69.5-85.8000111.7E155 I160 R161 L181E155-H157 VanDerWaalsContact CD-N 3.32Å; E155-H157 PolarHBondContact O-N 3.15Å; E155-H157 WeakPolarHBondContact OE1-CB 3.3Å; E155-H157 IonicContact OE1-CD2 2.66Å; E155-H157 PolarHBondContact OE1-CD2 3.46Å; E155-H157 VanDerWaalsContact OE1-CD2 3.31Å; E155-H157 IonicContact OE1-CG 3.14Å; E155-H157 PolarHBondContact OE1-N 3.36Å; E155-H157 WeakPolarHBondContact OE2-CB 3.2Å; E155-H157 PolarHBondContact OE2-N 2.93Å; H157-I160 PolarHBondContact O-N 3.25Å; H157-R161 WeakPolarHBondContact O-CG 3.46Å; H157-R161 PolarHBondContact O-N 2.92Å; H157-R161 VanDerWaalsContact O-N 3.07Å; H157-L181 HydrophobicContact CB-CD2 4.43Å; H157-L181 VanDerWaalsContact CE1-CD2 3.47Å; H157-L181 WeakPolarHBondContact CE1-CD2 3.14Å; H157-L181 WeakPolarHBondContact ND1-CD2 3.18Å
158E96.8Very high97.1Very high64 Ų6447.3 Ų47.330%0.29925%0.249SC..Hα-helixtrans-65-43.1178-176.156.7-161.100111.9E155 I160 R161 Q162E155-E158 HydrophobicContact CB-CB 4.29Å; E155-E158 PolarHBondContact O-N 2.86Å; E155-E158 WeakPolarHBondContact OE2-CB 3.34Å; E155-E158 PolarHBondContact OE2-N 2.8Å; E158-I160 VanDerWaalsContact C-N 3.28Å; E158-I160 PolarHBondContact O-N 2.83Å; E158-R161 VanDerWaalsContact CA-NH2 3.34Å; E158-R161 PolarHBondContact O-N 3.49Å; E158-R161 IonicContact OE2-CZ 2.88Å; E158-R161 IonicContact OE2-NE 3.68Å; E158-R161 PolarHBondContact OE2-NE 3.04Å; E158-R161 IonicContact OE2-NH2 3.76Å; E158-R161 PolarHBondContact OE2-NH2 3.25Å; E158-Q162 HydrophobicContact CG-CG 4.18Å; E158-Q162 WeakPolarHBondContact O-CB 3.33Å; E158-Q162 VanDerWaalsContact O-CG 3.32Å; E158-Q162 WeakPolarHBondContact O-CG 3.27Å; E158-Q162 PolarHBondContact O-N 3.05Å; E158-Q162 VanDerWaalsContact OE1-CG 3.26Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.22Å; E158-Q162 PolarHBondContact OE1-NE2 3.11Å
159V97.7Very high97.2Very high1 Ų149 Ų491%0.00626%0.257CS..Hα-helixtrans-63.5-36.6178.576.80000112.1C145 L148 V149 W154 E155 A156 F163 I180C145-V159 HydrophobicContact CB-CG1 3.83Å; C145-V159 HydrophobicContact CB-CG2 4.19Å; L148-V159 HydrophobicContact CB-CG2 3.78Å; L148-V159 HydrophobicContact CD1-CG2 3.49Å; L148-V159 VanDerWaalsContact CD1-CG2 3.49Å; L148-V159 HydrophobicContact CG-CG2 4.27Å; V149-V159 HydrophobicContact CG2-CB 4.46Å; V149-V159 HydrophobicContact CG2-CG1 3.56Å; W154-V159 HydrophobicContact CB-CB 4.42Å; W154-V159 HydrophobicContact CE3-CB 4.15Å; W154-V159 HydrophobicContact CE3-CG2 3.9Å; E155-V159 PolarHBondContact O-N 3.46Å; A156-V159 VanDerWaalsContact O-CG1 3.23Å; A156-V159 WeakPolarHBondContact O-CG1 3.22Å; V159-F163 VanDerWaalsContact O-CB 3.25Å; V159-F163 WeakPolarHBondContact O-CB 3.14Å; V159-F163 PolarHBondContact O-N 3.36Å; V159-I180 HydrophobicContact CG1-CG2 4.4Å
160I98.6Very high97.3Very high14 Ų1456.3 Ų56.37%0.07229%0.288CS..Hα-helixtrans-64.9-47.2176-69.9159.5000109.6A156 H157 E158 F163 E164 F171 V177 I180 L181A156-I160 VanDerWaalsContact O-CD1 3.31Å; A156-I160 WeakPolarHBondContact O-CD1 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.4Å; A156-I160 PolarHBondContact O-N 3.04Å; H157-I160 PolarHBondContact O-N 3.25Å; E158-I160 VanDerWaalsContact C-N 3.28Å; E158-I160 PolarHBondContact O-N 2.83Å; I160-F163 PolarHBondContact O-N 3.45Å; I160-E164 HydrophobicContact CG2-CG 4.41Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.04Å; I160-F171 HydrophobicContact CG2-CD2 4.21Å; I160-F171 HydrophobicContact CG2-CE2 4.29Å; I160-V177 HydrophobicContact CD1-CG1 3.98Å; I160-I180 HydrophobicContact CD1-CB 4.12Å; I160-I180 HydrophobicContact CD1-CG2 3.74Å; I160-I180 HydrophobicContact CG1-CD1 4.39Å; I160-I180 HydrophobicContact CG1-CG2 3.89Å; I160-L181 HydrophobicContact CD1-CD2 3.57Å; I160-L181 HydrophobicContact CD1-CG 3.81Å
161R98.5Very high97.5Very high129 Ų12956.4 Ų56.449%0.48729%0.288SS..Hα-helixtrans-58-50.5177.2-74-171.6-65.2-91.61.8111.7E155 H157 E158 F163 E164 Q165E155-R161 IonicContact OE2-NH2 3.31Å; H157-R161 WeakPolarHBondContact O-CG 3.46Å; H157-R161 PolarHBondContact O-N 2.92Å; H157-R161 VanDerWaalsContact O-N 3.07Å; E158-R161 VanDerWaalsContact CA-NH2 3.34Å; E158-R161 PolarHBondContact O-N 3.49Å; E158-R161 IonicContact OE2-CZ 2.88Å; E158-R161 IonicContact OE2-NE 3.68Å; E158-R161 PolarHBondContact OE2-NE 3.04Å; E158-R161 IonicContact OE2-NH2 3.76Å; E158-R161 PolarHBondContact OE2-NH2 3.25Å; R161-F163 PolarHBondContact O-N 2.79Å; R161-E164 PolarHBondContact O-N 3.17Å; R161-Q165 WeakPolarHBondContact O-CB 3.28Å; R161-Q165 PolarHBondContact O-N 3.29Å
162Q98.5Very high97.5Very high42 Ų4257.8 Ų57.820%0.19630%0.297CS..Hα-helixtrans-60.1-45.2179.1-72.6-68.7-27.900111.5E158 Q165 C166E158-Q162 HydrophobicContact CG-CG 4.18Å; E158-Q162 WeakPolarHBondContact O-CB 3.33Å; E158-Q162 VanDerWaalsContact O-CG 3.32Å; E158-Q162 WeakPolarHBondContact O-CG 3.27Å; E158-Q162 PolarHBondContact O-N 3.05Å; E158-Q162 VanDerWaalsContact OE1-CG 3.26Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.22Å; E158-Q162 PolarHBondContact OE1-NE2 3.11Å; Q162-Q165 PolarHBondContact O-N 3.32Å; Q162-C166 WeakPolarHBondContact O-CB 3.42Å; Q162-C166 PolarHBondContact O-N 2.69Å; Q162-C166 PolarHBondContact O-SG 3.36Å
163F98.9Very high97.6Very high1 Ų158.6 Ų58.60%0.00430%0.296CS..Hα-helixtrans-59.4-50.9176.2173.4-91.7000111.7I21 P28 T140 G141 I144 V159 I160 R161 Q165 C166 R167 F171I21-F163 HydrophobicContact CD1-CD2 3.97Å; P28-F163 HydrophobicContact CB-CE2 3.63Å; P28-F163 HydrophobicContact CB-CZ 4.22Å; P28-F163 HydrophobicContact CG-CE2 4.11Å; T140-F163 HydrophobicContact CG2-CE2 4.16Å; T140-F163 HydrophobicContact CG2-CZ 4.36Å; G141-F163 VanDerWaalsContact N-CZ 3.33Å; I144-F163 HydrophobicContact CD1-CD2 4.44Å; I144-F163 HydrophobicContact CD1-CE2 4.12Å; V159-F163 VanDerWaalsContact O-CB 3.25Å; V159-F163 WeakPolarHBondContact O-CB 3.14Å; V159-F163 PolarHBondContact O-N 3.36Å; I160-F163 PolarHBondContact O-N 3.45Å; R161-F163 PolarHBondContact O-N 2.79Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.01Å; F163-C166 PolarHBondContact O-N 3Å; F163-R167 HydrophobicContact CE1-CB 4.1Å; F163-R167 HydrophobicContact CE1-CG 4.3Å; F163-R167 HydrophobicContact CE2-CB 4.39Å; F163-R167 HydrophobicContact CZ-CB 4Å; F163-R167 HydrophobicContact CZ-CG 4.05Å; F163-R167 WeakPolarHBondContact O-CB 3.32Å; F163-R167 PolarHBondContact O-N 3.37Å; F163-F171 HydrophobicContact CD1-CD2 4.19Å; F163-F171 AromaticContact CD1-CE2 3.5Å; F163-F171 HydrophobicContact CD1-CE2 3.5Å; F163-F171 VanDerWaalsContact CD1-CE2 3.5Å; F163-F171 HydrophobicContact CD1-CZ 4.04Å; F163-F171 HydrophobicContact CE1-CD2 4.46Å; F163-F171 AromaticContact CE1-CE2 3.93Å; F163-F171 HydrophobicContact CE1-CE2 3.93Å; F163-F171 HydrophobicContact CE1-CZ 4.17Å; F163-F171 HydrophobicContact CG-CE2 4.35Å
164E98.8Very high97.7Very high43 Ų4361.4 Ų61.420%0.20129%0.294CS..Hα-helixtrans-63-38.7-178.4-69.6-170.3151.300112I160 R161 G168 H169 K170 F171I160-E164 HydrophobicContact CG2-CG 4.41Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.04Å; R161-E164 PolarHBondContact O-N 3.17Å; E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 3.15Å; E164-H169 PolarHBondContact O-N 2.91Å; E164-K170 VanDerWaalsContact OE1-CA 3.28Å; E164-K170 WeakPolarHBondContact OE1-CA 3.25Å; E164-K170 WeakPolarHBondContact OE1-CB 3.43Å; E164-F171 HydrophobicContact CG-CD2 3.97Å; E164-F171 PolarHBondContact OE1-N 3.13Å
165Q98.7Very high97.7Very high145 Ų14561.3 Ų61.368%0.67829%0.294SS*.Hα-helixtrans-63.7-55.6175.6-178.7175.8-3.800111.2R161 Q162 F163 R167 G168R161-Q165 WeakPolarHBondContact O-CB 3.28Å; R161-Q165 PolarHBondContact O-N 3.29Å; Q162-Q165 PolarHBondContact O-N 3.32Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.01Å; Q165-R167 VanDerWaalsContact C-N 3.33Å; Q165-R167 PolarHBondContact O-N 2.75Å; Q165-G168 PolarHBondContact O-N 2.98Å; Q165-G168 VanDerWaalsContact O-N 3.15Å
166C98.7Very high97.8Very high9 Ų956.8 Ų56.86%0.06127%0.273CS..Hα-helixtrans-64.2-39.4-178.7-63.20000111.4G18 E19 I21 Q162 F163 G168G18-C166 CarbonylContact C-O 3.54Å; G18-C166 WeakPolarHBondContact CA-O 3.47Å; E19-C166 HydrophobicContact CB-CB 4.37Å; E19-C166 PolarHBondContact N-O 3.02Å; I21-C166 HydrophobicContact CG1-CB 3.97Å; Q162-C166 WeakPolarHBondContact O-CB 3.42Å; Q162-C166 PolarHBondContact O-N 2.69Å; Q162-C166 PolarHBondContact O-SG 3.36Å; F163-C166 PolarHBondContact O-N 3Å; C166-G168 VanDerWaalsContact C-N 3.3Å; C166-G168 PolarHBondContact O-N 2.93Å
167R98.8Very high97.9Very high2 Ų256.8 Ų56.81%0.00827%0.272CS..Hα-helixtrans-68.3-31.3176.7179.456.8-167.9106-7.5112.2T15 P28 H135 G136 F163 Q165 H169T15-R167 PolarHBondContact O-NH1 3.42Å; T15-R167 PolarHBondContact O-NH2 2.95Å; T15-R167 PolarHBondContact OG1-NH1 3.44Å; P28-R167 HydrophobicContact CG-CB 3.97Å; P28-R167 HydrophobicContact CG-CG 4.44Å; H135-R167 PolarHBondContact O-NH2 3.34Å; G136-R167 WeakPolarHBondContact O-CD 3.33Å; G136-R167 PolarHBondContact O-NE 2.77Å; F163-R167 HydrophobicContact CE1-CB 4.1Å; F163-R167 HydrophobicContact CE1-CG 4.3Å; F163-R167 HydrophobicContact CE2-CB 4.39Å; F163-R167 HydrophobicContact CZ-CB 4Å; F163-R167 HydrophobicContact CZ-CG 4.05Å; F163-R167 WeakPolarHBondContact O-CB 3.32Å; F163-R167 PolarHBondContact O-N 3.37Å; Q165-R167 VanDerWaalsContact C-N 3.33Å; Q165-R167 PolarHBondContact O-N 2.75Å; R167-H169 VanDerWaalsContact C-N 3.29Å; R167-H169 HydrophobicContact CG-CB 4.2Å; R167-H169 PolarHBondContact NH1-CD2 3.12Å; R167-H169 VanDerWaalsContact NH1-CD2 3.31Å; R167-H169 PolarHBondContact O-CD2 3.37Å
168G98.6Very high97.9Very high55 Ų5555.2 Ų55.257%0.56727%0.267SS*.THydrogen-bonded Turntrans75.811.8-171.900000114.3E164 Q165 C166E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 3.15Å; Q165-G168 PolarHBondContact O-N 2.98Å; Q165-G168 VanDerWaalsContact O-N 3.15Å; C166-G168 VanDerWaalsContact C-N 3.3Å; C166-G168 PolarHBondContact O-N 2.93Å
169H98.7Very high97.9Very high39 Ų3953.4 Ų53.418%0.18126%0.259CS..SBendtrans-143.2134.9-179.6-62.6-88.4000110.4Y14 T15 V137 E164 R167Y14-H169 HydrophobicContact CD1-CB 4.41Å; Y14-H169 AromaticContact CD1-CE1 3.85Å; Y14-H169 AromaticContact CD1-CG 3.77Å; Y14-H169 AromaticContact CD1-ND1 3.48Å; Y14-H169 WeakPolarHBondContact CD1-ND1 3.17Å; Y14-H169 AromaticContact CE1-ND1 3.95Å; T15-H169 PolarHBondContact N-NE2 2.91Å; T15-H169 PolarHBondContact OG1-NE2 2.89Å; V137-H169 HydrophobicContact CG1-CB 4.48Å; V137-H169 HydrophobicContact CG2-CB 3.68Å; E164-H169 PolarHBondContact O-N 2.91Å; R167-H169 VanDerWaalsContact C-N 3.29Å; R167-H169 HydrophobicContact CG-CB 4.2Å; R167-H169 PolarHBondContact NH1-CD2 3.12Å; R167-H169 VanDerWaalsContact NH1-CD2 3.31Å; R167-H169 PolarHBondContact O-CD2 3.37Å
170K98.6Very high97.9Very high154 Ų15453.3 Ų53.367%0.6726%0.259SS*.  trans-76.6149.9177.9-61.5-168.6176.8-174.10112.6V137 E164 T172V137-K170 WeakPolarHBondContact CG1-O 3.43Å; E164-K170 VanDerWaalsContact OE1-CA 3.28Å; E164-K170 WeakPolarHBondContact OE1-CA 3.25Å; E164-K170 WeakPolarHBondContact OE1-CB 3.43Å; K170-T172 PolarHBondContact O-N 3.31Å
171F98.3Very high97.8Very high21 Ų2155.4 Ų55.49%0.09227%0.27CS..  trans-52.7137.5165.6-81.8-89.9000110N138 G141 I160 F163 E164 V177 I180N138-F171 WeakPolarHBondContact O-CE1 3.49Å; G141-F171 VanDerWaalsContact C-CZ 3.43Å; I160-F171 HydrophobicContact CG2-CD2 4.21Å; I160-F171 HydrophobicContact CG2-CE2 4.29Å; F163-F171 HydrophobicContact CD1-CD2 4.19Å; F163-F171 AromaticContact CD1-CE2 3.5Å; F163-F171 HydrophobicContact CD1-CE2 3.5Å; F163-F171 VanDerWaalsContact CD1-CE2 3.5Å; F163-F171 HydrophobicContact CD1-CZ 4.04Å; F163-F171 HydrophobicContact CE1-CD2 4.46Å; F163-F171 AromaticContact CE1-CE2 3.93Å; F163-F171 HydrophobicContact CE1-CE2 3.93Å; F163-F171 HydrophobicContact CE1-CZ 4.17Å; F163-F171 HydrophobicContact CG-CE2 4.35Å; E164-F171 HydrophobicContact CG-CD2 3.97Å; E164-F171 PolarHBondContact OE1-N 3.13Å; F171-V177 HydrophobicContact CB-CG2 3.48Å; F171-V177 VanDerWaalsContact CB-CG2 3.48Å; F171-V177 HydrophobicContact CD1-CG2 4.08Å; F171-V177 HydrophobicContact CD2-CG2 4.09Å; F171-V177 HydrophobicContact CG-CG2 3.65Å; F171-I180 HydrophobicContact CE1-CD1 4.22Å; F171-I180 HydrophobicContact CZ-CD1 3.83Å
172T96.8Very high97.6Very high72 Ų7257.3 Ų57.344%0.44228%0.277SS..SBendtrans-112.62.7177.275.80000111.9N138 K170N138-T172 PolarHBondContact ND2-OG1 3.12Å; N138-T172 PolarHBondContact OD1-N 2.84Å; K170-T172 PolarHBondContact O-N 3.31Å
173R96.3Very high96.9Very high98 Ų9856 Ų5637%0.3727%0.272SS..  trans-123.990.3-177.6-62.5-57.6-175.3-176.94.1108.9N138 Y175 L176N138-R173 HydrophobicContact CB-CB 4.45Å; N138-R173 HydrophobicContact CB-CG 4.04Å; N138-R173 VanDerWaalsContact CG-CG 3.46Å; N138-R173 WeakPolarHBondContact OD1-CB 3.44Å; N138-R173 WeakPolarHBondContact OD1-CG 3.35Å; N138-R173 PolarHBondContact OD1-N 3.1Å; N138-R173 VanDerWaalsContact OD1-N 3.12Å; R173-Y175 HydrophobicContact CB-CD1 4.12Å; R173-Y175 HydrophobicContact CB-CE1 3.7Å; R173-Y175 HydrophobicContact CG-CE1 4.09Å; R173-Y175 PolarHBondContact O-N 3.09Å; R173-L176 HydrophobicContact CB-CD1 3.96Å; R173-L176 HydrophobicContact CB-CG 4.15Å; R173-L176 WeakPolarHBondContact O-CB 3.34Å; R173-L176 PolarHBondContact O-N 3.28Å
174Q96.7Very high95.5Very high116 Ų11659.6 Ų59.654%0.54229%0.292SS..Hα-helixtrans-54.7-38.8-175.3-169.358.142.600113L176 V177 D178Q174-L176 PolarHBondContact O-N 3.5Å; Q174-V177 CarbonylContact O-C 3.59Å; Q174-V177 WeakPolarHBondContact O-CA 3.42Å; Q174-V177 WeakPolarHBondContact O-CB 3.28Å; Q174-V177 PolarHBondContact O-N 3.42Å; Q174-D178 PolarHBondContact NE2-OD1 3.21Å; Q174-D178 VanDerWaalsContact O-CG 3.23Å; Q174-D178 PolarHBondContact O-N 2.7Å
175Y95.9Very high93.7Very high72 Ų7260.9 Ų60.928%0.28230%0.304SS..Hα-helixtrans-59.3-2217874-97000114.5V99 R173 D179V99-Y175 HydrophobicContact CG2-CD2 3.91Å; V99-Y175 HydrophobicContact CG2-CE2 4.35Å; R173-Y175 HydrophobicContact CB-CD1 4.12Å; R173-Y175 HydrophobicContact CB-CE1 3.7Å; R173-Y175 HydrophobicContact CG-CE1 4.09Å; R173-Y175 PolarHBondContact O-N 3.09Å; Y175-D179 WeakPolarHBondContact O-CB 3.29Å; Y175-D179 PolarHBondContact O-N 3.37Å
176L97.4Very high91.9Very high1 Ų158.8 Ų58.81%0.00530%0.297CS..Hα-helixtrans-81.3-38.7172.6-65.2177.6000111.4N138 Y142 R173 Q174 D179 I180N138-L176 HydrophobicContact CB-CD1 3.84Å; Y142-L176 HydrophobicContact CD2-CB 3.97Å; Y142-L176 HydrophobicContact CD2-CD2 3.67Å; Y142-L176 HydrophobicContact CD2-CG 4.32Å; Y142-L176 HydrophobicContact CE2-CD2 4.07Å; Y142-L176 HydrophobicContact CG-CD2 4.03Å; R173-L176 HydrophobicContact CB-CD1 3.96Å; R173-L176 HydrophobicContact CB-CG 4.15Å; R173-L176 WeakPolarHBondContact O-CB 3.34Å; R173-L176 PolarHBondContact O-N 3.28Å; Q174-L176 PolarHBondContact O-N 3.5Å; L176-D179 PolarHBondContact O-N 3.3Å; L176-I180 WeakPolarHBondContact O-CD1 3.28Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 2.68Å
177V98.1Very high89.9Confident13 Ų1363.8 Ų63.88%0.07932%0.32CS..Hα-helixtrans-61.4-49174.6176.90000109.3I160 F171 Q174 D179 I180 L181I160-V177 HydrophobicContact CD1-CG1 3.98Å; F171-V177 HydrophobicContact CB-CG2 3.48Å; F171-V177 VanDerWaalsContact CB-CG2 3.48Å; F171-V177 HydrophobicContact CD1-CG2 4.08Å; F171-V177 HydrophobicContact CD2-CG2 4.09Å; F171-V177 HydrophobicContact CG-CG2 3.65Å; Q174-V177 CarbonylContact O-C 3.59Å; Q174-V177 WeakPolarHBondContact O-CA 3.42Å; Q174-V177 WeakPolarHBondContact O-CB 3.28Å; Q174-V177 PolarHBondContact O-N 3.42Å; V177-D179 PolarHBondContact O-N 2.87Å; V177-I180 PolarHBondContact O-N 2.97Å; V177-I180 VanDerWaalsContact O-N 3.12Å; V177-L181 HydrophobicContact CG1-CD1 4.01Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 2.8Å
178D97.2Very high87.8Confident69 Ų6965.7 Ų65.737%0.36933%0.331SS..Hα-helixtrans-60.1-35.4177.6-56.1-23000111.9Q174 R182Q174-D178 PolarHBondContact NE2-OD1 3.21Å; Q174-D178 VanDerWaalsContact O-CG 3.23Å; Q174-D178 PolarHBondContact O-N 2.7Å; D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 2.98Å; D178-R182 VanDerWaalsContact O-N 3.13Å; D178-R182 PolarHBondContact O-NE 3.32Å
179D96.2Very high85.4Confident25 Ų2568.9 Ų68.913%0.13433%0.334CS..Hα-helixtrans-71.1-37.7176.1-164.273.2000112.9V99 Y142 Y175 L176 V177 R182V99-D179 HydrophobicContact CG1-CB 4.45Å; V99-D179 VanDerWaalsContact CG1-OD2 3.29Å; V99-D179 WeakPolarHBondContact CG1-OD2 3.42Å; V99-D179 HydrophobicContact CG2-CB 4.17Å; Y142-D179 HydrophobicContact CE2-CB 4.12Å; Y142-D179 VanDerWaalsContact CE2-OD2 3.22Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.49Å; Y142-D179 PolarHBondContact OH-OD2 3.46Å; Y175-D179 WeakPolarHBondContact O-CB 3.29Å; Y175-D179 PolarHBondContact O-N 3.37Å; L176-D179 PolarHBondContact O-N 3.3Å; V177-D179 PolarHBondContact O-N 2.87Å; D179-R182 PolarHBondContact O-N 2.78Å; D179-R182 IonicContact OD1-NH2 2.98Å; D179-R182 PolarHBondContact OD1-NH2 3.14Å
180I97Very high82.5Confident0 Ų075.2 Ų75.20%036%0.364CS..Hα-helixtrans-64.9-44.6172.4-66.8156.5000110.1Y142 C145 K146 V159 I160 F171 L176 V177 R182 S183Y142-I180 HydrophobicContact CD2-CD1 4.19Å; Y142-I180 HydrophobicContact CD2-CG1 3.98Å; Y142-I180 HydrophobicContact CE2-CG1 4.34Å; C145-I180 HydrophobicContact CB-CD1 3.82Å; C145-I180 HydrophobicContact CB-CG1 4.18Å; C145-I180 HydrophobicContact CB-CG2 3.99Å; K146-I180 HydrophobicContact CD-CG1 4.2Å; K146-I180 HydrophobicContact CG-CG1 4.12Å; V159-I180 HydrophobicContact CG1-CG2 4.4Å; I160-I180 HydrophobicContact CD1-CB 4.12Å; I160-I180 HydrophobicContact CD1-CG2 3.74Å; I160-I180 HydrophobicContact CG1-CD1 4.39Å; I160-I180 HydrophobicContact CG1-CG2 3.89Å; F171-I180 HydrophobicContact CE1-CD1 4.22Å; F171-I180 HydrophobicContact CZ-CD1 3.83Å; L176-I180 WeakPolarHBondContact O-CD1 3.28Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 2.68Å; V177-I180 PolarHBondContact O-N 2.97Å; V177-I180 VanDerWaalsContact O-N 3.12Å; I180-R182 PolarHBondContact O-N 2.67Å; I180-S183 WeakPolarHBondContact O-CB 3.32Å; I180-S183 PolarHBondContact O-N 3.2Å; I180-S183 PolarHBondContact O-OG 3.44Å
181L96.8Very high79.8Confident58 Ų5873.3 Ų73.330%0.30437%0.37SS..Hα-helixtrans-67-23-178.9-68.8177.5000113.8A156 H157 I160 V177 S183A156-L181 HydrophobicContact CB-CD2 4.04Å; H157-L181 HydrophobicContact CB-CD2 4.43Å; H157-L181 VanDerWaalsContact CE1-CD2 3.47Å; H157-L181 WeakPolarHBondContact CE1-CD2 3.14Å; H157-L181 WeakPolarHBondContact ND1-CD2 3.18Å; I160-L181 HydrophobicContact CD1-CD2 3.57Å; I160-L181 HydrophobicContact CD1-CG 3.81Å; V177-L181 HydrophobicContact CG1-CD1 4.01Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 2.8Å; L181-S183 VanDerWaalsContact C-N 3.29Å
182R94Very high78.9Confident169 Ų16976 Ų7664%0.63838%0.384SS*.THydrogen-bonded Turntrans-83.8-1.4172.4-72.4-178.9-58.9170.711.2113.7D178 D179 I180 D184D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 2.98Å; D178-R182 VanDerWaalsContact O-N 3.13Å; D178-R182 PolarHBondContact O-NE 3.32Å; D179-R182 PolarHBondContact O-N 2.78Å; D179-R182 IonicContact OD1-NH2 2.98Å; D179-R182 PolarHBondContact OD1-NH2 3.14Å; I180-R182 PolarHBondContact O-N 2.67Å; R182-D184 PolarHBondContact O-N 2.88Å
183S84.7Confident77.9Confident14 Ų1476.2 Ų76.210%0.09838%0.381CS..  trans-61.6121.2-179.9-57.30000109.8K146 V149 I180 L181K146-S183 WeakPolarHBondContact CD-OG 3.45Å; K146-S183 PolarHBondContact NZ-OG 3.03Å; V149-S183 VanDerWaalsContact CG1-CB 3.5Å; I180-S183 WeakPolarHBondContact O-CB 3.32Å; I180-S183 PolarHBondContact O-N 3.2Å; I180-S183 PolarHBondContact O-OG 3.44Å; L181-S183 VanDerWaalsContact C-N 3.29Å
184D69.9Low76.9Confident77 Ų7774.9 Ų74.941%0.41238%0.381SS..  trans-90.7125.7165.9-166.4-20.3000107.9N150 R182 D186 E187N150-D184 PolarHBondContact ND2-O 2.92Å; N150-D184 VanDerWaalsContact ND2-O 3.09Å; R182-D184 PolarHBondContact O-N 2.88Å; D184-D186 PolarHBondContact O-N 2.97Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.3Å; D184-D186 PolarHBondContact OD1-N 2.69Å; D184-E187 HydrophobicContact CB-CB 4.46Å; D184-E187 HydrophobicContact CB-CG 4.09Å; D184-E187 WeakPolarHBondContact O-CB 3.45Å; D184-E187 PolarHBondContact O-N 2.71Å; D184-E187 VanDerWaalsContact O-N 3.08Å
185P59.9Low75.7Confident70 Ų7072.5 Ų72.546%0.45537%0.372SS..G310 helixtrans-51.4-28.7169.8-26.535.4000113E187P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.03Å
186D60.4Low74.5Confident100 Ų10072.6 Ų72.654%0.53538%0.377SS..G310 helixtrans-77.9-13.1-179.4-65.3-31.1000113.8D184 V188 I189D184-D186 PolarHBondContact O-N 2.97Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.3Å; D184-D186 PolarHBondContact OD1-N 2.69Å; D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.21Å; D186-I189 PolarHBondContact O-N 3.31Å
187E57.8Low72.9Confident114 Ų11477.3 Ų77.353%0.53340%0.402SS..G310 helixtrans-64-26.9-178.4-96.7-175.8165.700113.9D184 P185D184-E187 HydrophobicContact CB-CB 4.46Å; D184-E187 HydrophobicContact CB-CG 4.09Å; D184-E187 WeakPolarHBondContact O-CB 3.45Å; D184-E187 PolarHBondContact O-N 2.71Å; D184-E187 VanDerWaalsContact O-N 3.08Å; P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.03Å
188V54.3Low71.2Confident42 Ų4281.9 Ų81.926%0.25543%0.425SS..G310 helixtrans-91.4-11.9-176.8174.40000113.1N150 D186 H190N150-V188 HydrophobicContact CB-CB 4.4Å; N150-V188 HydrophobicContact CB-CG2 3.54Å; D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.21Å; V188-H190 PolarHBondContact O-N 3.18Å
189I48.1Very low69.1Low122 Ų12282.9 Ų82.963%0.62643%0.43SS*.THydrogen-bonded Turntrans-72.2-12.1179.1-61.5178.4000111.8D186D186-I189 PolarHBondContact O-N 3.31Å
190H38.5Very low66.9Low173 Ų17387.8 Ų87.880%0.80145%0.454SS*.THydrogen-bonded Turntrans-120.519.1-171.2-66.5-45.3000116.7V188V188-H190 PolarHBondContact O-N 3.18Å
191S41.2Very low64.1Low114 Ų11495.7 Ų95.780%0.79750%0.496SS*.  trans-127.90171.965.60000112.1

Retrieved 191 of 191 residues in 69 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).