A0A077ZD45_TRITR Loading...

Miro domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M89.3Confident94.6Very high91 Ų9127.1 Ų27.145%0.44813%0.133SC..  0150.60178.4-176.167.400109.8V3 H63 V64 V190 K193 V194M1-V3 HydrophobicContact CE-CG1 3.72Å; M1-H63 WeakPolarHBondContact O-CA 3.34Å; M1-V64 PolarHBondContact O-N 3.37Å; M1-V190 HydrophobicContact CE-CB 4.39Å; M1-V190 HydrophobicContact CE-CG1 3.82Å; M1-K193 HydrophobicContact CE-CB 3.9Å; M1-K193 HydrophobicContact CE-CG 4.03Å; M1-K193 HydrophobicContact CG-CG 4.45Å; M1-K193 HydrophobicContact SD-CB 3.98Å; M1-K193 HydrophobicContact SD-CG 3.53Å; M1-K193 VanDerWaalsContact SD-CG 3.53Å; M1-V194 HydrophobicContact CE-CG2 3.51Å; M1-V194 HydrophobicContact SD-CG2 3.62Å
2K93.2Very high94.2Very high114 Ų11436.9 Ų36.950%0.49618%0.178SC..EExtended strand (participates in β ladder)trans-105.8134.8174.8175.8171.6127.3163.90110.7V64 E66K2-V64 CarbonylContact C-O 3.52Å; K2-V64 WeakPolarHBondContact CA-O 3.42Å; K2-V64 HydrophobicContact CB-CB 4.5Å; K2-E66 HydrophobicContact CD-CG 4.03Å; K2-E66 WeakPolarHBondContact CD-OE1 3.4Å; K2-E66 WeakPolarHBondContact CE-OE1 3.4Å; K2-E66 WeakPolarHBondContact CE-OE2 3.47Å; K2-E66 HydrophobicContact CG-CG 4.16Å; K2-E66 IonicContact NZ-OE1 3.61Å; K2-E66 PolarHBondContact NZ-OE1 3.43Å; K2-E66 IonicContact NZ-OE2 3.64Å; K2-E66 PolarHBondContact NZ-OE2 2.73Å
3V94.9Very high94.1Very high1 Ų134.2 Ų34.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-121.6142.2175.1-60.20000110.6M1 V64 V65 E66 D88 V189 V190 K193M1-V3 HydrophobicContact CE-CG1 3.72Å; V3-V64 PolarHBondContact N-O 3.21Å; V3-V65 HydrophobicContact CG2-CB 4.18Å; V3-V65 HydrophobicContact CG2-CG1 4.24Å; V3-V65 HydrophobicContact CG2-CG2 3.74Å; V3-E66 PolarHBondContact O-N 3.34Å; V3-D88 WeakPolarHBondContact CA-OD2 2.89Å; V3-D88 HydrophobicContact CB-CB 4.35Å; V3-V189 HydrophobicContact CB-CG1 3.85Å; V3-V189 HydrophobicContact CG1-CG1 4.25Å; V3-V189 HydrophobicContact CG2-CG1 4Å; V3-V190 HydrophobicContact CG1-CG2 4.24Å; V3-K193 HydrophobicContact CG1-CB 4.09Å; V3-K193 HydrophobicContact CG1-CG 4.21Å
4K95.6Very high94Very high30 Ų3032.4 Ų32.413%0.1316%0.16CC..EExtended strand (participates in β ladder)trans-107.1125.1179.5173.3170174.9-1760111.1F68 F83 N85 D88 G89K4-F68 HydrophobicContact CB-CE2 4.48Å; K4-F68 HydrophobicContact CD-CD2 4.1Å; K4-F68 HydrophobicContact CD-CE2 3.67Å; K4-F68 HydrophobicContact CD-CZ 4.03Å; K4-F68 HydrophobicContact CG-CD2 3.74Å; K4-F68 HydrophobicContact CG-CE2 3.59Å; K4-F68 HydrophobicContact CG-CZ 4.44Å; K4-F83 WeakPolarHBondContact CE-O 3.4Å; K4-F83 PolarHBondContact NZ-O 3.3Å; K4-N85 PolarHBondContact NZ-O 2.91Å; K4-D88 PolarHBondContact N-OD2 3.08Å; K4-D88 WeakPolarHBondContact O-CA 3.48Å; K4-D88 WeakPolarHBondContact O-CB 3.24Å; K4-D88 PolarHBondContact O-N 3.24Å; K4-G89 PolarHBondContact O-N 3.25Å
5I97Very high94.1Very high0 Ų030.9 Ų30.90%015%0.152CC..EExtended strand (participates in β ladder)trans-120.6129176.5-61.2177000108.9V65 E66 L67 F68 G89 I91 F185 L186 V189I5-V65 HydrophobicContact CD1-CG1 3.63Å; I5-V65 HydrophobicContact CG1-CG1 4.22Å; I5-E66 PolarHBondContact N-O 3.19Å; I5-L67 HydrophobicContact CB-CD2 4.04Å; I5-L67 HydrophobicContact CG2-CD2 3.99Å; I5-L67 WeakPolarHBondContact O-CA 2.89Å; I5-F68 PolarHBondContact O-N 2.98Å; I5-G89 VanDerWaalsContact CA-O 3.32Å; I5-G89 WeakPolarHBondContact CA-O 3.16Å; I5-I91 HydrophobicContact CG2-CD1 3.89Å; I5-I91 HydrophobicContact CG2-CG1 3.79Å; I5-F185 HydrophobicContact CD1-CE1 3.91Å; I5-F185 HydrophobicContact CD1-CZ 4.35Å; I5-F185 HydrophobicContact CG2-CE1 4.22Å; I5-F185 HydrophobicContact CG2-CZ 4.17Å; I5-L186 HydrophobicContact CD1-CD2 3.54Å; I5-V189 HydrophobicContact CD1-CB 4.43Å; I5-V189 HydrophobicContact CD1-CG1 4.09Å; I5-V189 HydrophobicContact CD1-CG2 4.19Å; I5-V189 HydrophobicContact CG1-CG1 3.98Å; I5-V189 HydrophobicContact CG1-CG2 4.41Å
6V96Very high94Very high0 Ų030.4 Ų30.40%015%0.152CC..EExtended strand (participates in β ladder)trans-99.4134.2174.5-59.40000110.3V8 F68 I70 T87 G89 I90 I91V6-V8 HydrophobicContact CG2-CG1 4.39Å; V6-F68 HydrophobicContact CG1-CB 4.18Å; V6-I70 HydrophobicContact CB-CG1 4.5Å; V6-T87 HydrophobicContact CB-CG2 4.4Å; V6-T87 HydrophobicContact CG1-CG2 4.06Å; V6-T87 WeakPolarHBondContact CG1-OG1 3.31Å; V6-T87 HydrophobicContact CG2-CG2 3.68Å; V6-G89 PolarHBondContact N-O 3.15Å; V6-G89 VanDerWaalsContact N-O 3.08Å; V6-I90 HydrophobicContact CG2-CB 4.39Å; V6-I90 HydrophobicContact CG2-CG1 3.97Å; V6-I90 HydrophobicContact CG2-CG2 4.2Å; V6-I91 PolarHBondContact O-N 3.27Å
7V97.3Very high93.9Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-109.7113.2176.5-170.30000107.9K15 F18 I19 L67 F68 I70 I91 V93V7-K15 HydrophobicContact CG1-CB 4.08Å; V7-K15 HydrophobicContact CG1-CD 4.22Å; V7-K15 HydrophobicContact CG1-CG 4.13Å; V7-F18 HydrophobicContact CG1-CD1 4.31Å; V7-I19 HydrophobicContact CB-CD1 4.05Å; V7-I19 HydrophobicContact CG1-CD1 4.25Å; V7-I19 HydrophobicContact CG2-CD1 3.88Å; V7-I19 HydrophobicContact CG2-CG1 4.18Å; V7-L67 HydrophobicContact CG2-CD2 4.21Å; V7-F68 PolarHBondContact N-O 3.26Å; V7-I70 WeakPolarHBondContact O-CB 3.35Å; V7-I70 PolarHBondContact O-N 3.47Å; V7-I70 VanDerWaalsContact O-N 3.12Å; V7-I91 WeakPolarHBondContact CA-O 3.28Å; V7-I91 HydrophobicContact CG1-CB 4.36Å; V7-I91 HydrophobicContact CG1-CG2 4.45Å; V7-I91 HydrophobicContact CG2-CB 4.3Å; V7-I91 HydrophobicContact CG2-CD1 4.3Å; V7-V93 HydrophobicContact CG1-CG2 3.57Å
8V95.8Very high93.9Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-127.5158.4-170.9-68.20000111.6V6 K15 I70 Y84 I90 I91 F92 V93 W108 V112V6-V8 HydrophobicContact CG2-CG1 4.39Å; V8-K15 VanDerWaalsContact C-CD 3.48Å; V8-I70 HydrophobicContact CG1-CB 4.13Å; V8-I70 HydrophobicContact CG1-CG1 4.05Å; V8-Y84 HydrophobicContact CG1-CE1 3.83Å; V8-I90 HydrophobicContact CG2-CG2 4.05Å; V8-I91 PolarHBondContact N-O 3.42Å; V8-F92 HydrophobicContact CG2-CD1 3.39Å; V8-F92 HydrophobicContact CG2-CE1 3.59Å; V8-F92 HydrophobicContact CG2-CG 4.22Å; V8-V93 PolarHBondContact O-N 3.49Å; V8-W108 HydrophobicContact CB-CE3 3.82Å; V8-W108 HydrophobicContact CB-CZ3 4.09Å; V8-W108 HydrophobicContact CG1-CE3 4.41Å; V8-W108 HydrophobicContact CG1-CZ3 4.35Å; V8-V112 HydrophobicContact CB-CG2 4.48Å; V8-V112 HydrophobicContact CG1-CG2 4.17Å; V8-V112 HydrophobicContact CG2-CG2 4.09Å
9G94.8Very high93.8Very high0 Ų028.1 Ų28.10%014%0.144CC..  trans142.2169.9-173.400000111.7K15 G72 V93 W108G9-K15 WeakPolarHBondContact O-CE 3.16Å; G9-K15 PolarHBondContact O-NZ 2.98Å; G9-G72 VanDerWaalsContact O-CA 3.25Å; G9-G72 WeakPolarHBondContact O-CA 3.48Å; G9-V93 WeakPolarHBondContact CA-O 3.39Å; G9-W108 VanDerWaalsContact C-CZ2 3.49Å; G9-W108 VanDerWaalsContact O-CZ2 3.23Å; G9-W108 WeakPolarHBondContact O-CZ2 3.23Å
10D94Very high93.6Very high32 Ų3228.6 Ų28.617%0.17114%0.144CC..  trans-55.9156.1-174.6-81.6-8.2000113.7Q12 A13 K15 R98 S104 W108D10-Q12 PolarHBondContact O-N 3.31Å; D10-A13 HydrophobicContact CB-CB 4.23Å; D10-A13 WeakPolarHBondContact O-CB 3.49Å; D10-A13 PolarHBondContact O-N 2.99Å; D10-A13 VanDerWaalsContact O-N 3.14Å; D10-K15 PolarHBondContact O-NZ 3.1Å; D10-R98 IonicContact OD2-CZ 3.54Å; D10-R98 IonicContact OD2-NE 3.59Å; D10-R98 IonicContact OD2-NH1 2.66Å; D10-R98 IonicContact OD2-NH2 3.21Å; D10-S104 PolarHBondContact OD1-OG 2.89Å; D10-S104 WeakPolarHBondContact OD2-CB 3.49Å; D10-S104 PolarHBondContact OD2-OG 3.01Å; D10-W108 PolarHBondContact OD1-NE1 3.45Å
11S92.5Very high93.5Very high30 Ų3028.9 Ų28.921%0.2115%0.149CC..THydrogen-bonded Turntrans-54.4137.7164-168.90000109.5A13 G72S11-A13 PolarHBondContact O-N 3.02Å; S11-A13 VanDerWaalsContact O-N 3.14Å; S11-G72 PolarHBondContact N-O 2.93Å
12Q90.5Very high93.6Very high145 Ų14524.6 Ų24.668%0.67813%0.128SC*.THydrogen-bonded Turntrans62.213.7-178.3-49.3173.332.800115.5D10 G14 K131D10-Q12 PolarHBondContact O-N 3.31Å; Q12-G14 PolarHBondContact O-N 3.47Å; Q12-K131 WeakPolarHBondContact O-CE 3.49Å; Q12-K131 PolarHBondContact O-NZ 2.85Å
13A92.8Very high93.5Very high1 Ų119.2 Ų19.21%0.00810%0.104CC..SBendtrans-68.9-6.2171.100000113.5D10 S11 V93 T130D10-A13 HydrophobicContact CB-CB 4.23Å; D10-A13 WeakPolarHBondContact O-CB 3.49Å; D10-A13 PolarHBondContact O-N 2.99Å; D10-A13 VanDerWaalsContact O-N 3.14Å; S11-A13 PolarHBondContact O-N 3.02Å; S11-A13 VanDerWaalsContact O-N 3.14Å; A13-V93 HydrophobicContact CB-CG1 4.42Å; A13-V93 WeakPolarHBondContact O-CG1 3.37Å; A13-T130 PolarHBondContact O-OG1 3.5Å
14G92.8Very high93.2Very high9 Ų922.5 Ų22.59%0.09312%0.124CC..SBendtrans93.318.7178.900000115.1Q12 S17 F18Q12-G14 PolarHBondContact O-N 3.47Å; G14-S17 PolarHBondContact O-N 3.33Å; G14-F18 WeakPolarHBondContact O-CB 3.17Å; G14-F18 PolarHBondContact O-N 2.76Å
15K94.7Very high92.8Very high10 Ų1022.8 Ų22.84%0.04313%0.127CC..Hα-helixtrans-57.9-55.7179-63.1-170.4-55-69.70112.9V7 V8 G9 D10 S17 F18 I19 D69 I70 V93V7-K15 HydrophobicContact CG1-CB 4.08Å; V7-K15 HydrophobicContact CG1-CD 4.22Å; V7-K15 HydrophobicContact CG1-CG 4.13Å; V8-K15 VanDerWaalsContact C-CD 3.48Å; G9-K15 WeakPolarHBondContact O-CE 3.16Å; G9-K15 PolarHBondContact O-NZ 2.98Å; D10-K15 PolarHBondContact O-NZ 3.1Å; K15-S17 VanDerWaalsContact C-N 3.3Å; K15-S17 PolarHBondContact O-N 3.12Å; K15-F18 WeakPolarHBondContact O-CB 3.46Å; K15-F18 PolarHBondContact O-N 2.93Å; K15-F18 VanDerWaalsContact O-N 3.16Å; K15-I19 WeakPolarHBondContact O-CG1 3.2Å; K15-I19 PolarHBondContact O-N 2.79Å; K15-D69 WeakPolarHBondContact CB-OD1 3.47Å; K15-I70 WeakPolarHBondContact CE-O 3.44Å; K15-V93 HydrophobicContact CD-CB 4.43Å; K15-V93 HydrophobicContact CG-CB 3.69Å; K15-V93 HydrophobicContact CG-CG1 4.03Å; K15-V93 HydrophobicContact CG-CG2 3.88Å
16T93.1Very high92.4Very high23 Ų2324.6 Ų24.614%0.14114%0.135CC..Hα-helixtrans-61.6-39178.7-410000111.6I19 R20 P38 D69T16-I19 PolarHBondContact O-N 3.35Å; T16-R20 VanDerWaalsContact O-CG 3.32Å; T16-R20 WeakPolarHBondContact O-CG 3.34Å; T16-R20 PolarHBondContact O-N 3.31Å; T16-P38 HydrophobicContact CG2-CB 4.05Å; T16-D69 WeakPolarHBondContact CB-OD2 3.4Å; T16-D69 PolarHBondContact OG1-OD2 2.94Å
17S91.7Very high91.9Very high39 Ų3927 Ų2727%0.27315%0.146SC..Hα-helixtrans-63-43.9173.9-52.20000112.4G14 K15 R20 S21 P38G14-S17 PolarHBondContact O-N 3.33Å; K15-S17 VanDerWaalsContact C-N 3.3Å; K15-S17 PolarHBondContact O-N 3.12Å; S17-R20 PolarHBondContact O-N 3.13Å; S17-S21 PolarHBondContact O-N 3.15Å; S17-P38 WeakPolarHBondContact OG-CG 3.46Å
18F93.5Very high91Very high5 Ų532.5 Ų32.52%0.02218%0.182CC..Hα-helixtrans-61.3-47.3175.3162-114.8000111.3V7 G14 K15 R20 S21 L22 I91 V93 V128 L166 L182V7-F18 HydrophobicContact CG1-CD1 4.31Å; G14-F18 WeakPolarHBondContact O-CB 3.17Å; G14-F18 PolarHBondContact O-N 2.76Å; K15-F18 WeakPolarHBondContact O-CB 3.46Å; K15-F18 PolarHBondContact O-N 2.93Å; K15-F18 VanDerWaalsContact O-N 3.16Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.05Å; F18-S21 WeakPolarHBondContact O-CB 3.2Å; F18-S21 PolarHBondContact O-N 3.47Å; F18-L22 HydrophobicContact CZ-CD2 4.19Å; F18-L22 WeakPolarHBondContact O-CB 3.34Å; F18-L22 PolarHBondContact O-N 3.34Å; F18-I91 HydrophobicContact CE1-CD1 3.74Å; F18-I91 HydrophobicContact CE1-CG2 3.88Å; F18-I91 HydrophobicContact CZ-CD1 4.02Å; F18-I91 HydrophobicContact CZ-CG2 4.4Å; F18-V93 HydrophobicContact CD1-CG2 4.41Å; F18-V128 HydrophobicContact CD2-CG1 4.27Å; F18-V128 HydrophobicContact CE1-CG2 4.5Å; F18-V128 HydrophobicContact CE2-CG2 4.46Å; F18-V128 HydrophobicContact CG-CG1 4.45Å; F18-V128 HydrophobicContact CZ-CG2 4.25Å; F18-L166 HydrophobicContact CB-CD1 4.41Å; F18-L166 HydrophobicContact CD2-CD1 3.22Å; F18-L166 HydrophobicContact CE2-CD1 3.77Å; F18-L166 HydrophobicContact CG-CD1 4.14Å; F18-L182 HydrophobicContact CE2-CD1 3.9Å; F18-L182 HydrophobicContact CZ-CD1 3.9Å
19I93.2Very high90.4Very high4 Ų439.5 Ų39.52%0.02122%0.219CC..Hα-helixtrans-60.4-44.8178.3-70169000110.5V7 K15 T16 S21 L22 L23 E47 L67 D69V7-I19 HydrophobicContact CB-CD1 4.05Å; V7-I19 HydrophobicContact CG1-CD1 4.25Å; V7-I19 HydrophobicContact CG2-CD1 3.88Å; V7-I19 HydrophobicContact CG2-CG1 4.18Å; K15-I19 WeakPolarHBondContact O-CG1 3.2Å; K15-I19 PolarHBondContact O-N 2.79Å; T16-I19 PolarHBondContact O-N 3.35Å; I19-S21 PolarHBondContact O-N 3.37Å; I19-L22 WeakPolarHBondContact O-CB 3.19Å; I19-L22 PolarHBondContact O-N 3.47Å; I19-L23 HydrophobicContact CG2-CD1 3.7Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 2.96Å; I19-L23 PolarHBondContact O-N 2.81Å; I19-E47 HydrophobicContact CG2-CB 4.14Å; I19-E47 HydrophobicContact CG2-CG 3.87Å; I19-L67 HydrophobicContact CG1-CD1 4.35Å; I19-L67 HydrophobicContact CG2-CD1 3.99Å; I19-D69 HydrophobicContact CD1-CB 3.46Å; I19-D69 VanDerWaalsContact CD1-CB 3.46Å
20R90.2Very high89.6Confident38 Ų3842 Ų4214%0.14323%0.229CC..Hα-helixtrans-57.8-47.1174.9-73.8174.6178179-3.2111.8T16 S17 F18 L22 L23 T24 E36T16-R20 VanDerWaalsContact O-CG 3.32Å; T16-R20 WeakPolarHBondContact O-CG 3.34Å; T16-R20 PolarHBondContact O-N 3.31Å; S17-R20 PolarHBondContact O-N 3.13Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.05Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.19Å; R20-L23 PolarHBondContact O-N 3.09Å; R20-T24 PolarHBondContact O-N 3.46Å; R20-T24 PolarHBondContact O-OG1 3.09Å; R20-T24 VanDerWaalsContact O-OG1 3.11Å; R20-E36 PolarHBondContact NH1-O 3.37Å; R20-E36 PolarHBondContact NH2-O 2.79Å
21S90.2Very high88.5Confident35 Ų3548.1 Ų48.125%0.24526%0.261CS..Hα-helixtrans-60.1-41.4176.9-175.30000112.3S17 F18 I19 L25S17-S21 PolarHBondContact O-N 3.15Å; F18-S21 WeakPolarHBondContact O-CB 3.2Å; F18-S21 PolarHBondContact O-N 3.47Å; I19-S21 PolarHBondContact O-N 3.37Å; S21-L25 WeakPolarHBondContact O-CB 3.39Å; S21-L25 PolarHBondContact O-N 3.21Å; S21-L25 VanDerWaalsContact O-N 3.12Å
22L91.6Very high87.3Confident1 Ų151.5 Ų51.51%0.00527%0.272CS..Hα-helixtrans-65-42.1175.4173.556000112.4F18 I19 R20 L25 K26 F49 L67 L182F18-L22 HydrophobicContact CZ-CD2 4.19Å; F18-L22 WeakPolarHBondContact O-CB 3.34Å; F18-L22 PolarHBondContact O-N 3.34Å; I19-L22 WeakPolarHBondContact O-CB 3.19Å; I19-L22 PolarHBondContact O-N 3.47Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.19Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 3.03Å; L22-K26 HydrophobicContact CD1-CG 3.72Å; L22-K26 HydrophobicContact CG-CG 4.48Å; L22-K26 WeakPolarHBondContact O-CB 3.01Å; L22-K26 VanDerWaalsContact O-CG 3.31Å; L22-K26 WeakPolarHBondContact O-CG 3.39Å; L22-K26 PolarHBondContact O-N 3.23Å; L22-F49 HydrophobicContact CD2-CE1 4.24Å; L22-F49 HydrophobicContact CD2-CZ 4.43Å; L22-L67 HydrophobicContact CD2-CD1 3.72Å; L22-L67 HydrophobicContact CD2-CD2 4.39Å; L22-L67 HydrophobicContact CG-CD1 4.44Å; L22-L182 HydrophobicContact CD1-CD1 3.74Å; L22-L182 HydrophobicContact CD1-CD2 3.37Å; L22-L182 HydrophobicContact CD1-CG 4.13Å; L22-L182 HydrophobicContact CD2-CD1 4.21Å; L22-L182 HydrophobicContact CG-CD1 4.48Å
23L91.2Very high85.9Confident1 Ų150.5 Ų50.51%0.00527%0.271CS..Hα-helixtrans-68.5-42.9179.2-67.5168.9000111.5I19 R20 L25 K26 E27 Y30 E47 F49I19-L23 HydrophobicContact CG2-CD1 3.7Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 2.96Å; I19-L23 PolarHBondContact O-N 2.81Å; R20-L23 PolarHBondContact O-N 3.09Å; L23-L25 PolarHBondContact O-N 3.09Å; L23-K26 PolarHBondContact O-N 2.94Å; L23-K26 VanDerWaalsContact O-N 3.07Å; L23-E27 PolarHBondContact O-N 3.32Å; L23-Y30 HydrophobicContact CB-CD1 3.6Å; L23-Y30 HydrophobicContact CB-CD2 3.81Å; L23-Y30 HydrophobicContact CB-CE1 3.68Å; L23-Y30 HydrophobicContact CB-CE2 3.88Å; L23-Y30 HydrophobicContact CB-CG 3.67Å; L23-Y30 HydrophobicContact CD1-CD2 4.18Å; L23-Y30 HydrophobicContact CD1-CE1 4.14Å; L23-Y30 HydrophobicContact CD1-CE2 3.47Å; L23-Y30 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y30 VanDerWaalsContact CD1-CZ 3.45Å; L23-Y30 HydrophobicContact CG-CD2 4.48Å; L23-Y30 HydrophobicContact CG-CE2 4.23Å; L23-E47 HydrophobicContact CD1-CB 3.69Å; L23-E47 HydrophobicContact CD1-CG 3.76Å; L23-E47 HydrophobicContact CD2-CB 4.42Å; L23-F49 HydrophobicContact CD2-CB 3.8Å; L23-F49 HydrophobicContact CD2-CD1 3.9Å; L23-F49 HydrophobicContact CD2-CG 4.19Å
24T88.7Confident84.2Confident69 Ų6954.4 Ų54.442%0.42330%0.298SS..Hα-helixtrans-57.9-33.4172.4-60.10000112.3R20R20-T24 PolarHBondContact O-N 3.46Å; R20-T24 PolarHBondContact O-OG1 3.09Å; R20-T24 VanDerWaalsContact O-OG1 3.11Å
25L87.8Confident82.5Confident36 Ų3660.7 Ų60.719%0.18833%0.33CS..Hα-helixtrans-73.2-37.2175.517669.2000112.9S21 L22 L23 I172 N174 F179S21-L25 WeakPolarHBondContact O-CB 3.39Å; S21-L25 PolarHBondContact O-N 3.21Å; S21-L25 VanDerWaalsContact O-N 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 3.03Å; L23-L25 PolarHBondContact O-N 3.09Å; L25-I172 HydrophobicContact CD2-CB 4.26Å; L25-I172 HydrophobicContact CD2-CG2 4.04Å; L25-N174 VanDerWaalsContact CD1-OD1 3.26Å; L25-N174 WeakPolarHBondContact CD1-OD1 3.47Å; L25-F179 HydrophobicContact CD1-CD2 3.84Å; L25-F179 HydrophobicContact CD1-CE2 3.91Å; L25-F179 HydrophobicContact CD2-CD2 3.63Å; L25-F179 HydrophobicContact CD2-CE2 4Å; L25-F179 HydrophobicContact CG-CD2 4.16Å; L25-F179 HydrophobicContact CG-CE2 4.15Å
26K88.2Confident80.9Confident39 Ų3965.4 Ų65.417%0.1735%0.352CS..Hα-helixtrans-92.7-31.3-170.6-72.3-73.9-179173.30113.9L22 L23 F49 H51 N183L22-K26 HydrophobicContact CD1-CG 3.72Å; L22-K26 HydrophobicContact CG-CG 4.48Å; L22-K26 WeakPolarHBondContact O-CB 3.01Å; L22-K26 VanDerWaalsContact O-CG 3.31Å; L22-K26 WeakPolarHBondContact O-CG 3.39Å; L22-K26 PolarHBondContact O-N 3.23Å; L23-K26 PolarHBondContact O-N 2.94Å; L23-K26 VanDerWaalsContact O-N 3.07Å; K26-F49 HydrophobicContact CB-CB 4.31Å; K26-F49 HydrophobicContact CB-CD2 3.66Å; K26-F49 HydrophobicContact CB-CE2 4.25Å; K26-F49 HydrophobicContact CB-CG 4.13Å; K26-F49 HydrophobicContact CD-CD2 3.95Å; K26-F49 HydrophobicContact CD-CE2 3.78Å; K26-F49 HydrophobicContact CG-CD2 3.68Å; K26-F49 HydrophobicContact CG-CE2 3.72Å; K26-F49 HydrophobicContact CG-CG 4.4Å; K26-F49 HydrophobicContact CG-CZ 4.47Å; K26-H51 PolarHBondContact NZ-ND1 2.72Å; K26-N183 PolarHBondContact NZ-OD1 3.5Å
27E85.4Confident79.7Confident50 Ų5071.6 Ų71.623%0.23438%0.379CS..  trans-125.8100.6-177.3-64.3-68.2169.900107.4L23 D29 Y30 F49 R50L23-E27 PolarHBondContact O-N 3.32Å; E27-D29 PolarHBondContact O-N 2.96Å; E27-D29 VanDerWaalsContact O-N 3.16Å; E27-Y30 WeakPolarHBondContact O-CB 3.45Å; E27-Y30 PolarHBondContact O-N 3.03Å; E27-F49 HydrophobicContact CG-CB 3.84Å; E27-R50 PolarHBondContact OE1-N 3.15Å
28P78.7Confident79Confident116 Ų11672.1 Ų72.175%0.75338%0.381SS*.THydrogen-bonded Turntrans-58.5-29-176.9-24.533.4000113.7Y30P28-Y30 VanDerWaalsContact C-N 3.28Å
29D82.1Confident78.4Confident146 Ų14679.6 Ų79.678%0.78142%0.416SS*.THydrogen-bonded Turntrans-85.62.6178.1-59.2-36.3000112.8E27 L31E27-D29 PolarHBondContact O-N 2.96Å; E27-D29 VanDerWaalsContact O-N 3.16Å; D29-L31 PolarHBondContact O-N 2.95Å
30Y78.2Confident77.9Confident53 Ų5383.4 Ų83.421%0.20844%0.441CS..  trans-6999.6176.7-176.7-97.3000110.2L23 E27 P28 F32L23-Y30 HydrophobicContact CB-CD1 3.6Å; L23-Y30 HydrophobicContact CB-CD2 3.81Å; L23-Y30 HydrophobicContact CB-CE1 3.68Å; L23-Y30 HydrophobicContact CB-CE2 3.88Å; L23-Y30 HydrophobicContact CB-CG 3.67Å; L23-Y30 HydrophobicContact CD1-CD2 4.18Å; L23-Y30 HydrophobicContact CD1-CE1 4.14Å; L23-Y30 HydrophobicContact CD1-CE2 3.47Å; L23-Y30 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y30 VanDerWaalsContact CD1-CZ 3.45Å; L23-Y30 HydrophobicContact CG-CD2 4.48Å; L23-Y30 HydrophobicContact CG-CE2 4.23Å; E27-Y30 WeakPolarHBondContact O-CB 3.45Å; E27-Y30 PolarHBondContact O-N 3.03Å; P28-Y30 VanDerWaalsContact C-N 3.28Å; Y30-F32 HydrophobicContact CE1-CB 4.39Å
31L70.7Confident77.6Confident161 Ų16182.9 Ų82.984%0.84344%0.442SS*.  trans-92.6129175.4-64.6173.5000109.8D29D29-L31 PolarHBondContact O-N 2.95Å
32F68.6Low77.3Confident101 Ų10184.6 Ų84.644%0.44346%0.459SS..  trans-114.3144.4163.474.1-77.7000108.4Y30 S34Y30-F32 HydrophobicContact CE1-CB 4.39Å; F32-S34 PolarHBondContact O-N 3.37Å; F32-S34 VanDerWaalsContact O-N 3.14Å
33L61Low77Confident124 Ų12485.3 Ų85.365%0.64947%0.466SS*.  trans-66.8113.3167.7-63.5175.9000107D35 E36L33-D35 PolarHBondContact O-N 3.29Å; L33-E36 HydrophobicContact CB-CG 4.1Å; L33-E36 PolarHBondContact O-N 2.93Å; L33-E36 VanDerWaalsContact O-N 3.14Å
34S55.9Low77Confident83 Ų8386.7 Ų86.758%0.5848%0.478SS*.THydrogen-bonded Turntrans-52.3-27.9-174.352.20000113.8F32F32-S34 PolarHBondContact O-N 3.37Å; F32-S34 VanDerWaalsContact O-N 3.14Å
35D57.2Low77.1Confident141 Ų14188 Ų8875%0.75448%0.478SS*.THydrogen-bonded Turntrans-89.8-11.3-170-58.7-9.7000112.8L33 Q37L33-D35 PolarHBondContact O-N 3.29Å; D35-Q37 PolarHBondContact O-N 2.91Å
36E62.5Low77.4Confident109 Ų10989.3 Ų89.351%0.50949%0.487SS..  trans-77.195.6177.1-72.3-172.7177.300110.8R20 L33R20-E36 PolarHBondContact NH1-O 3.37Å; R20-E36 PolarHBondContact NH2-O 2.79Å; L33-E36 HydrophobicContact CB-CG 4.1Å; L33-E36 PolarHBondContact O-N 2.93Å; L33-E36 VanDerWaalsContact O-N 3.14Å
37Q68Low77.6Confident153 Ų15389 Ų8972%0.71549%0.487SS*.PPolyproline II helixtrans-57.3135.8166.4-66.8-60.2-48.800109.7D35 E39D35-Q37 PolarHBondContact O-N 2.91Å; Q37-E39 PolarHBondContact O-N 3.2Å; Q37-E39 VanDerWaalsContact O-N 3.1Å
38P76.4Confident78Confident49 Ų4990.2 Ų90.232%0.31850%0.497SS..PPolyproline II helixtrans-62.6116.7177.1-9.618.1000110.9T16 S17T16-P38 HydrophobicContact CG2-CB 4.05Å; S17-P38 WeakPolarHBondContact OG-CG 3.46Å
39E81.1Confident78.7Confident162 Ų16284.8 Ų84.876%0.75746%0.462SS*.PPolyproline II helixtrans-80.5158.2171.1-64.7-168.6166.200111.3Q37 T41Q37-E39 PolarHBondContact O-N 3.2Å; Q37-E39 VanDerWaalsContact O-N 3.1Å; E39-T41 PolarHBondContact O-N 3.23Å; E39-T41 VanDerWaalsContact O-N 3.15Å
40P82.5Confident79.2Confident84 Ų8485.9 Ų85.955%0.54546%0.455SS..PPolyproline II helixtrans-56.7119.1171.4-24.434.9000112.1A42P40-A42 PolarHBondContact O-N 2.93Å
41T83.6Confident80Confident27 Ų2783.4 Ų83.417%0.16645%0.445CS..PPolyproline II helixtrans-63.5120.2177.3-45.20000111.3E39 K45 D69 G71E39-T41 PolarHBondContact O-N 3.23Å; E39-T41 VanDerWaalsContact O-N 3.15Å; T41-K45 HydrophobicContact CG2-CB 4.15Å; T41-D69 PolarHBondContact OG1-OD2 3.04Å; T41-G71 WeakPolarHBondContact O-CA 3.47Å
42A83.2Confident80.8Confident72 Ų7282.9 Ų82.960%0.59543%0.432SS*.SBendtrans-87.1122.8168.100000109.6P40 A44 F76P40-A42 PolarHBondContact O-N 2.93Å; A42-A44 PolarHBondContact O-N 3.15Å; A42-F76 HydrophobicContact CB-CE1 4.39Å; A42-F76 HydrophobicContact CB-CE2 3.95Å; A42-F76 HydrophobicContact CB-CZ 3.69Å
43G87.1Confident81.4Confident15 Ų1579.8 Ų79.816%0.15542%0.418CS..SBendtrans74-120.3-175.600000112.7G71G43-G71 PolarHBondContact O-N 3.49Å
44A89.3Confident81.8Confident31 Ų3181.8 Ų81.826%0.25642%0.421SS..EExtended strand (participates in β ladder)trans-141.9135.8177.200000111.6A42 D69 I70 F83A42-A44 PolarHBondContact O-N 3.15Å; A44-D69 CarbonylContact C-O 3.59Å; A44-D69 VanDerWaalsContact CA-O 3.25Å; A44-D69 WeakPolarHBondContact CA-O 3.5Å; A44-I70 HydrophobicContact CB-CD1 3.63Å; A44-F83 HydrophobicContact CB-CD1 3.85Å; A44-F83 HydrophobicContact CB-CD2 3.68Å; A44-F83 HydrophobicContact CB-CE1 3.77Å; A44-F83 HydrophobicContact CB-CE2 3.63Å; A44-F83 HydrophobicContact CB-CG 3.81Å; A44-F83 HydrophobicContact CB-CZ 3.68Å
45K91.9Very high82.2Confident97 Ų9779.9 Ų79.942%0.42241%0.407SS..EExtended strand (participates in β ladder)trans-102.6135.3169.3-166.8-172.6-171.5-158.50108.9T41 E47 D69T41-K45 HydrophobicContact CG2-CB 4.15Å; K45-E47 WeakPolarHBondContact CE-OE1 3.41Å; K45-E47 IonicContact NZ-OE1 2.71Å; K45-E47 PolarHBondContact NZ-OE1 3.37Å; K45-D69 HydrophobicContact CB-CB 4.21Å; K45-D69 PolarHBondContact N-O 2.9Å; K45-D69 PolarHBondContact O-N 3.45Å
46V93.3Very high82.4Confident63 Ų6381.4 Ų81.438%0.38241%0.41SS..EExtended strand (participates in β ladder)trans-106.2126.1177.5-174.60000109.2V48 E66 L67 F68V46-V48 HydrophobicContact CG1-CG2 4.31Å; V46-E66 HydrophobicContact CG1-CB 4.25Å; V46-L67 CarbonylContact C-O 3.57Å; V46-L67 WeakPolarHBondContact CA-O 3.48Å; V46-F68 HydrophobicContact CG1-CE2 4.25Å; V46-F68 HydrophobicContact CG1-CZ 4.37Å; V46-F68 HydrophobicContact CG2-CD1 3.71Å; V46-F68 HydrophobicContact CG2-CE1 3.53Å; V46-F68 HydrophobicContact CG2-CE2 4.37Å; V46-F68 HydrophobicContact CG2-CG 4.21Å; V46-F68 HydrophobicContact CG2-CZ 3.88Å
47E93.7Very high82.4Confident33 Ų3386.1 Ų86.115%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-117147.1171.4-63.3-69.2176.800109.2I19 L23 K45 E66 L67I19-E47 HydrophobicContact CG2-CB 4.14Å; I19-E47 HydrophobicContact CG2-CG 3.87Å; L23-E47 HydrophobicContact CD1-CB 3.69Å; L23-E47 HydrophobicContact CD1-CG 3.76Å; L23-E47 HydrophobicContact CD2-CB 4.42Å; K45-E47 WeakPolarHBondContact CE-OE1 3.41Å; K45-E47 IonicContact NZ-OE1 2.71Å; K45-E47 PolarHBondContact NZ-OE1 3.37Å; E47-E66 CarbonylContact O-C 3.59Å; E47-E66 WeakPolarHBondContact O-CA 3.32Å; E47-L67 HydrophobicContact CB-CB 4.38Å; E47-L67 PolarHBondContact N-O 2.93Å; E47-L67 PolarHBondContact O-N 3.34Å
48V93.4Very high81.9Confident75 Ų7581.3 Ų81.346%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-129.6133.7-174.3-1750000110V46 V64 V65 E66V46-V48 HydrophobicContact CG1-CG2 4.31Å; V48-V64 HydrophobicContact CG1-CG1 3.44Å; V48-V64 VanDerWaalsContact CG1-CG1 3.44Å; V48-V65 WeakPolarHBondContact CA-O 3.17Å; V48-E66 HydrophobicContact CG2-CG 4.18Å
49F93.9Very high81.6Confident2 Ų283.1 Ų83.11%0.00942%0.424CS..EExtended strand (participates in β ladder)trans-142.1163.3171.671.6-85.5000111.3L22 L23 K26 E27 H51 V65 L67 L186L22-F49 HydrophobicContact CD2-CE1 4.24Å; L22-F49 HydrophobicContact CD2-CZ 4.43Å; L23-F49 HydrophobicContact CD2-CB 3.8Å; L23-F49 HydrophobicContact CD2-CD1 3.9Å; L23-F49 HydrophobicContact CD2-CG 4.19Å; K26-F49 HydrophobicContact CB-CB 4.31Å; K26-F49 HydrophobicContact CB-CD2 3.66Å; K26-F49 HydrophobicContact CB-CE2 4.25Å; K26-F49 HydrophobicContact CB-CG 4.13Å; K26-F49 HydrophobicContact CD-CD2 3.95Å; K26-F49 HydrophobicContact CD-CE2 3.78Å; K26-F49 HydrophobicContact CG-CD2 3.68Å; K26-F49 HydrophobicContact CG-CE2 3.72Å; K26-F49 HydrophobicContact CG-CG 4.4Å; K26-F49 HydrophobicContact CG-CZ 4.47Å; E27-F49 HydrophobicContact CG-CB 3.84Å; F49-H51 HydrophobicContact CE2-CB 4.03Å; F49-V65 HydrophobicContact CD1-CB 4.01Å; F49-V65 HydrophobicContact CD1-CG1 4.21Å; F49-V65 HydrophobicContact CD2-CB 4.44Å; F49-V65 HydrophobicContact CE1-CB 3.59Å; F49-V65 HydrophobicContact CE1-CG1 3.41Å; F49-V65 VanDerWaalsContact CE1-CG1 3.41Å; F49-V65 HydrophobicContact CE1-CG2 4.31Å; F49-V65 HydrophobicContact CE2-CB 4.07Å; F49-V65 HydrophobicContact CE2-CG2 3.98Å; F49-V65 HydrophobicContact CG-CB 4.42Å; F49-V65 HydrophobicContact CZ-CB 3.63Å; F49-V65 HydrophobicContact CZ-CG1 3.61Å; F49-V65 HydrophobicContact CZ-CG2 3.82Å; F49-V65 PolarHBondContact N-O 3.09Å; F49-V65 VanDerWaalsContact N-O 3.09Å; F49-V65 PolarHBondContact O-N 3.09Å; F49-L67 HydrophobicContact CD1-CD1 3.93Å; F49-L67 HydrophobicContact CD1-CG 4.25Å; F49-L67 HydrophobicContact CE1-CD1 3.63Å; F49-L67 HydrophobicContact CE1-CD2 4.24Å; F49-L67 HydrophobicContact CE1-CG 3.79Å; F49-L186 HydrophobicContact CE2-CD1 3.97Å; F49-L186 HydrophobicContact CZ-CD1 3.83Å; F49-L186 HydrophobicContact CZ-CD2 3.94Å
50R92.5Very high81.1Confident168 Ų16879.9 Ų79.963%0.63441%0.41SS*.EExtended strand (participates in β ladder)trans-92.2127.2175.5-66.3-177.4178.8118.2-4110.9E27 V62 H63E27-R50 PolarHBondContact OE1-N 3.15Å; R50-V62 HydrophobicContact CB-CG1 3.9Å; R50-V62 HydrophobicContact CG-CG1 4.16Å; R50-H63 WeakPolarHBondContact CA-O 3.35Å
51H93.3Very high81.2Confident2 Ų279.4 Ų79.41%0.00940%0.402CS..EExtended strand (participates in β ladder)trans-107.8123.5170.9-174.861.6000110.1K26 F49 H63 V65 N183 D187K26-H51 PolarHBondContact NZ-ND1 2.72Å; F49-H51 HydrophobicContact CE2-CB 4.03Å; H51-H63 PolarHBondContact N-O 3.18Å; H51-H63 PolarHBondContact O-N 2.75Å; H51-V65 HydrophobicContact CB-CG2 3.6Å; H51-N183 PolarHBondContact CE1-OD1 3.29Å; H51-D187 IonicContact CD2-OD1 3.73Å; H51-D187 IonicContact CE1-OD1 3.49Å; H51-D187 IonicContact NE2-OD1 3.64Å; H51-D187 PolarHBondContact NE2-OD1 2.76Å
52R89.1Confident81.4Confident149 Ų14981.3 Ų81.356%0.56241%0.414SS*.EExtended strand (participates in β ladder)trans-93.5112.7-179.6177.9-179-76.3-77.6-0.7108.1E60R52-E60 WeakPolarHBondContact CD-OE1 3.37Å; R52-E60 HydrophobicContact CG-CG 3.76Å; R52-E60 WeakPolarHBondContact CG-OE1 3.44Å; R52-E60 IonicContact CZ-OE1 3.54Å; R52-E60 IonicContact NE-OE1 3.75Å; R52-E60 IonicContact NH1-OE1 3.78Å; R52-E60 PolarHBondContact NH1-OE1 3.36Å; R52-E60 IonicContact NH1-OE2 3.55Å; R52-E60 PolarHBondContact NH1-OE2 2.94Å
53Y80.7Confident81.8Confident37 Ų3778.4 Ų78.415%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-100.6125.9177.5178.3-113000109.1C55 D61 D187 L191Y53-C55 HydrophobicContact CE1-CB 3.78Å; Y53-D61 PolarHBondContact N-O 2.68Å; Y53-D61 PolarHBondContact O-N 2.66Å; Y53-D187 HydrophobicContact CD2-CB 4.01Å; Y53-D187 WeakPolarHBondContact CD2-OD1 3.23Å; Y53-D187 HydrophobicContact CE2-CB 3.94Å; Y53-L191 HydrophobicContact CE1-CD2 4.19Å
54K69.3Low82.1Confident166 Ų16680.3 Ų80.372%0.72240%0.396SS*.  trans-120.9106.3175.8-170.9176.4-179.1178.30108.8
55C63.8Low82.5Confident42 Ų4278.8 Ų78.828%0.28438%0.384SS..  trans-88.5147.8165.9-170.70000109.1Y53 Y57 A58Y53-C55 HydrophobicContact CE1-CB 3.78Å; C55-Y57 PolarHBondContact O-N 2.6Å; C55-Y57 VanDerWaalsContact O-N 3.11Å; C55-A58 HydrophobicContact CB-CB 3.93Å; C55-A58 PolarHBondContact O-N 2.93Å
56E62.6Low82.7Confident174 Ų17475.7 Ų75.781%0.81337%0.371SS*.THydrogen-bonded Turntrans-57.3-26.3178.3-69.8-178.5166.300113.2
57Y60.9Low82.9Confident207 Ų20772.7 Ų72.781%0.81235%0.353SS*.THydrogen-bonded Turntrans-1140.4-172.7-56.4-82.2000114.4C55C55-Y57 PolarHBondContact O-N 2.6Å; C55-Y57 VanDerWaalsContact O-N 3.11Å
58A58.4Low83Confident52 Ų5272.3 Ų72.343%0.4335%0.351SS..SBendtrans-120.5156.7-177.100000111.6C55C55-A58 HydrophobicContact CB-CB 3.93Å; C55-A58 PolarHBondContact O-N 2.93Å
59S69.5Low83Confident87 Ų8768.9 Ų68.961%0.60833%0.33SS*.  trans-54.8147.516549.50000109.7D61S59-D61 PolarHBondContact O-N 2.97Å; S59-D61 VanDerWaalsContact O-N 3.09Å; S59-D61 PolarHBondContact OG-OD1 3.38Å
60E72.2Confident83.1Confident95 Ų9568.8 Ų68.844%0.44433%0.329SS..  trans-64.3112173-176.2173.9-148.500109.7R52R52-E60 WeakPolarHBondContact CD-OE1 3.37Å; R52-E60 HydrophobicContact CG-CG 3.76Å; R52-E60 WeakPolarHBondContact CG-OE1 3.44Å; R52-E60 IonicContact CZ-OE1 3.54Å; R52-E60 IonicContact NE-OE1 3.75Å; R52-E60 IonicContact NH1-OE1 3.78Å; R52-E60 PolarHBondContact NH1-OE1 3.36Å; R52-E60 IonicContact NH1-OE2 3.55Å; R52-E60 PolarHBondContact NH1-OE2 2.94Å
61D83.6Confident83Confident73 Ų7360.8 Ų60.839%0.3930%0.299SS..EExtended strand (participates in β ladder)trans-103.1135.6-176.6-76.8-12000110.1Y53 S59 H63Y53-D61 PolarHBondContact N-O 2.68Å; Y53-D61 PolarHBondContact O-N 2.66Å; S59-D61 PolarHBondContact O-N 2.97Å; S59-D61 VanDerWaalsContact O-N 3.09Å; S59-D61 PolarHBondContact OG-OD1 3.38Å; D61-H63 WeakPolarHBondContact CB-NE2 3.15Å
62V88.2Confident82.7Confident68 Ų6861 Ų6141%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-102.5120.2176.9-177.90000109R50R50-V62 HydrophobicContact CB-CG1 3.9Å; R50-V62 HydrophobicContact CG-CG1 4.16Å
63H91.6Very high82.7Confident10 Ų1056 Ų565%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-108.6142.5179.9-55.4-87.4000110.2M1 R50 H51 D61 V190M1-H63 WeakPolarHBondContact O-CA 3.34Å; R50-H63 WeakPolarHBondContact CA-O 3.35Å; H51-H63 PolarHBondContact N-O 3.18Å; H51-H63 PolarHBondContact O-N 2.75Å; D61-H63 WeakPolarHBondContact CB-NE2 3.15Å; H63-V190 HydrophobicContact CB-CG2 3.96Å; H63-V190 VanDerWaalsContact CE1-CG1 3.49Å; H63-V190 WeakPolarHBondContact CE1-CG1 3.07Å; H63-V190 WeakPolarHBondContact NE2-CG1 3.43Å
64V93.9Very high83Confident55 Ų5558 Ų5833%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-90.7120.5175.2178.90000108M1 K2 V3 V48M1-V64 PolarHBondContact O-N 3.37Å; K2-V64 CarbonylContact C-O 3.52Å; K2-V64 WeakPolarHBondContact CA-O 3.42Å; K2-V64 HydrophobicContact CB-CB 4.5Å; V3-V64 PolarHBondContact N-O 3.21Å; V48-V64 HydrophobicContact CG1-CG1 3.44Å; V48-V64 VanDerWaalsContact CG1-CG1 3.44Å
65V96.4Very high83.8Confident0 Ų059.3 Ų59.30%032%0.316CS..EExtended strand (participates in β ladder)trans-102.2125.8177-178.20000108.8V3 I5 V48 F49 H51 L67 L186V3-V65 HydrophobicContact CG2-CB 4.18Å; V3-V65 HydrophobicContact CG2-CG1 4.24Å; V3-V65 HydrophobicContact CG2-CG2 3.74Å; I5-V65 HydrophobicContact CD1-CG1 3.63Å; I5-V65 HydrophobicContact CG1-CG1 4.22Å; V48-V65 WeakPolarHBondContact CA-O 3.17Å; F49-V65 HydrophobicContact CD1-CB 4.01Å; F49-V65 HydrophobicContact CD1-CG1 4.21Å; F49-V65 HydrophobicContact CD2-CB 4.44Å; F49-V65 HydrophobicContact CE1-CB 3.59Å; F49-V65 HydrophobicContact CE1-CG1 3.41Å; F49-V65 VanDerWaalsContact CE1-CG1 3.41Å; F49-V65 HydrophobicContact CE1-CG2 4.31Å; F49-V65 HydrophobicContact CE2-CB 4.07Å; F49-V65 HydrophobicContact CE2-CG2 3.98Å; F49-V65 HydrophobicContact CG-CB 4.42Å; F49-V65 HydrophobicContact CZ-CB 3.63Å; F49-V65 HydrophobicContact CZ-CG1 3.61Å; F49-V65 HydrophobicContact CZ-CG2 3.82Å; F49-V65 PolarHBondContact N-O 3.09Å; F49-V65 VanDerWaalsContact N-O 3.09Å; F49-V65 PolarHBondContact O-N 3.09Å; H51-V65 HydrophobicContact CB-CG2 3.6Å; V65-L67 HydrophobicContact CG1-CD2 4.38Å; V65-L67 HydrophobicContact CG1-CG 4.46Å; V65-L186 HydrophobicContact CG1-CD2 4.36Å; V65-L186 HydrophobicContact CG2-CD2 4.5Å
66E96.5Very high84.8Confident31 Ų3159.6 Ų59.615%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-103.1115.5169.4-59.2-168.1149.200110.1K2 V3 I5 V46 E47 V48 F68K2-E66 HydrophobicContact CD-CG 4.03Å; K2-E66 WeakPolarHBondContact CD-OE1 3.4Å; K2-E66 WeakPolarHBondContact CE-OE1 3.4Å; K2-E66 WeakPolarHBondContact CE-OE2 3.47Å; K2-E66 HydrophobicContact CG-CG 4.16Å; K2-E66 IonicContact NZ-OE1 3.61Å; K2-E66 PolarHBondContact NZ-OE1 3.43Å; K2-E66 IonicContact NZ-OE2 3.64Å; K2-E66 PolarHBondContact NZ-OE2 2.73Å; V3-E66 PolarHBondContact O-N 3.34Å; I5-E66 PolarHBondContact N-O 3.19Å; V46-E66 HydrophobicContact CG1-CB 4.25Å; E47-E66 CarbonylContact O-C 3.59Å; E47-E66 WeakPolarHBondContact O-CA 3.32Å; V48-E66 HydrophobicContact CG2-CG 4.18Å; E66-F68 HydrophobicContact CB-CD2 4.24Å; E66-F68 HydrophobicContact CB-CE2 3.75Å
67L96.8Very high85.9Confident1 Ų156 Ų561%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-91.4118.6171.6-65.3171.8000109.2I5 V7 I19 L22 V46 E47 F49 V65I5-L67 HydrophobicContact CB-CD2 4.04Å; I5-L67 HydrophobicContact CG2-CD2 3.99Å; I5-L67 WeakPolarHBondContact O-CA 2.89Å; V7-L67 HydrophobicContact CG2-CD2 4.21Å; I19-L67 HydrophobicContact CG1-CD1 4.35Å; I19-L67 HydrophobicContact CG2-CD1 3.99Å; L22-L67 HydrophobicContact CD2-CD1 3.72Å; L22-L67 HydrophobicContact CD2-CD2 4.39Å; L22-L67 HydrophobicContact CG-CD1 4.44Å; V46-L67 CarbonylContact C-O 3.57Å; V46-L67 WeakPolarHBondContact CA-O 3.48Å; E47-L67 HydrophobicContact CB-CB 4.38Å; E47-L67 PolarHBondContact N-O 2.93Å; E47-L67 PolarHBondContact O-N 3.34Å; F49-L67 HydrophobicContact CD1-CD1 3.93Å; F49-L67 HydrophobicContact CD1-CG 4.25Å; F49-L67 HydrophobicContact CE1-CD1 3.63Å; F49-L67 HydrophobicContact CE1-CD2 4.24Å; F49-L67 HydrophobicContact CE1-CG 3.79Å; V65-L67 HydrophobicContact CG1-CD2 4.38Å; V65-L67 HydrophobicContact CG1-CG 4.46Å
68F96.2Very high87.1Confident25 Ų2552.8 Ų52.811%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-95.7101.8171.6-74.3-109.4000108.6K4 I5 V6 V7 V46 E66 I70 F83K4-F68 HydrophobicContact CB-CE2 4.48Å; K4-F68 HydrophobicContact CD-CD2 4.1Å; K4-F68 HydrophobicContact CD-CE2 3.67Å; K4-F68 HydrophobicContact CD-CZ 4.03Å; K4-F68 HydrophobicContact CG-CD2 3.74Å; K4-F68 HydrophobicContact CG-CE2 3.59Å; K4-F68 HydrophobicContact CG-CZ 4.44Å; I5-F68 PolarHBondContact O-N 2.98Å; V6-F68 HydrophobicContact CG1-CB 4.18Å; V7-F68 PolarHBondContact N-O 3.26Å; V46-F68 HydrophobicContact CG1-CE2 4.25Å; V46-F68 HydrophobicContact CG1-CZ 4.37Å; V46-F68 HydrophobicContact CG2-CD1 3.71Å; V46-F68 HydrophobicContact CG2-CE1 3.53Å; V46-F68 HydrophobicContact CG2-CE2 4.37Å; V46-F68 HydrophobicContact CG2-CG 4.21Å; V46-F68 HydrophobicContact CG2-CZ 3.88Å; E66-F68 HydrophobicContact CB-CD2 4.24Å; E66-F68 HydrophobicContact CB-CE2 3.75Å; F68-I70 HydrophobicContact CB-CD1 3.92Å; F68-I70 PolarHBondContact O-N 2.78Å; F68-F83 HydrophobicContact CD1-CD1 4.45Å
69D94.9Very high88.5Confident2 Ų255 Ų551%0.01130%0.295CS..EExtended strand (participates in β ladder)trans-73.7104.2168.5-17314.4000109.2K15 T16 I19 T41 A44 K45K15-D69 WeakPolarHBondContact CB-OD1 3.47Å; T16-D69 WeakPolarHBondContact CB-OD2 3.4Å; T16-D69 PolarHBondContact OG1-OD2 2.94Å; I19-D69 HydrophobicContact CD1-CB 3.46Å; I19-D69 VanDerWaalsContact CD1-CB 3.46Å; T41-D69 PolarHBondContact OG1-OD2 3.04Å; A44-D69 CarbonylContact C-O 3.59Å; A44-D69 VanDerWaalsContact CA-O 3.25Å; A44-D69 WeakPolarHBondContact CA-O 3.5Å; K45-D69 HydrophobicContact CB-CB 4.21Å; K45-D69 PolarHBondContact N-O 2.9Å; K45-D69 PolarHBondContact O-N 3.45Å
70I94Very high89.6Confident0 Ų051.5 Ų51.50%027%0.268CS..EExtended strand (participates in β ladder)trans-90.4132.8-175.7-56.6-55000110.9V6 V7 V8 K15 A44 F68 G72 R80 F83V6-I70 HydrophobicContact CB-CG1 4.5Å; V7-I70 WeakPolarHBondContact O-CB 3.35Å; V7-I70 PolarHBondContact O-N 3.47Å; V7-I70 VanDerWaalsContact O-N 3.12Å; V8-I70 HydrophobicContact CG1-CB 4.13Å; V8-I70 HydrophobicContact CG1-CG1 4.05Å; K15-I70 WeakPolarHBondContact CE-O 3.44Å; A44-I70 HydrophobicContact CB-CD1 3.63Å; F68-I70 HydrophobicContact CB-CD1 3.92Å; F68-I70 PolarHBondContact O-N 2.78Å; I70-G72 PolarHBondContact O-N 3.46Å; I70-R80 HydrophobicContact CG2-CB 3.62Å; I70-R80 HydrophobicContact CG2-CG 4.28Å; I70-F83 HydrophobicContact CD1-CB 3.53Å; I70-F83 HydrophobicContact CD1-CD2 3.98Å; I70-F83 HydrophobicContact CD1-CG 3.91Å
71G90.5Very high90.3Very high0 Ų048.9 Ų48.90%026%0.259CS..  trans-54.1120.317300000112.7T41 G43 S73T41-G71 WeakPolarHBondContact O-CA 3.47Å; G43-G71 PolarHBondContact O-N 3.49Å; G71-S73 VanDerWaalsContact C-N 3.34Å; G71-S73 PolarHBondContact O-N 3.49Å
72G88.3Confident90.6Very high8 Ų850 Ų508%0.08227%0.268CS..  trans-84.4-2.3-175.700000114.9G9 S11 I70G9-G72 VanDerWaalsContact O-CA 3.25Å; G9-G72 WeakPolarHBondContact O-CA 3.48Å; S11-G72 PolarHBondContact N-O 2.93Å; I70-G72 PolarHBondContact O-N 3.46Å
73S89.3Confident90.8Very high43 Ų4349.4 Ų49.430%0.30126%0.26SS..  trans-74138.6179.7-179.60000111.1G71 Y75 F76 R80G71-S73 VanDerWaalsContact C-N 3.34Å; G71-S73 PolarHBondContact O-N 3.49Å; S73-Y75 PolarHBondContact O-N 3.38Å; S73-Y75 WeakPolarHBondContact OG-CB 3.19Å; S73-Y75 PolarHBondContact OG-N 2.88Å; S73-F76 PolarHBondContact O-N 3.31Å; S73-F76 VanDerWaalsContact O-N 3.15Å; S73-R80 PolarHBondContact O-NH1 3.2Å
74A85.9Confident90.7Very high79 Ų7949 Ų4965%0.65326%0.258SS*.G310 helixtrans-60.7-25.8172.300000112.5F76 K77A74-F76 PolarHBondContact O-N 2.95Å; A74-K77 WeakPolarHBondContact O-CB 3.45Å; A74-K77 PolarHBondContact O-N 3.12Å; A74-K77 VanDerWaalsContact O-N 3.08Å
75Y85.6Confident90.5Very high193 Ų19351.3 Ų51.376%0.75727%0.269SS*.G310 helixtrans-59-31.1175.6-175.3-97.8000112.9S73S73-Y75 PolarHBondContact O-N 3.38Å; S73-Y75 WeakPolarHBondContact OG-CB 3.19Å; S73-Y75 PolarHBondContact OG-N 2.88Å
76F86.3Confident90.1Very high49 Ų4953.3 Ų53.322%0.21529%0.289CS..G310 helixtrans-97.914.6179.1-59.9-64.4000113.2A42 S73 A74 D78 I79 R80A42-F76 HydrophobicContact CB-CE1 4.39Å; A42-F76 HydrophobicContact CB-CE2 3.95Å; A42-F76 HydrophobicContact CB-CZ 3.69Å; S73-F76 PolarHBondContact O-N 3.31Å; S73-F76 VanDerWaalsContact O-N 3.15Å; A74-F76 PolarHBondContact O-N 2.95Å; F76-D78 PolarHBondContact O-N 3.46Å; F76-I79 HydrophobicContact CD1-CD1 4.42Å; F76-I79 PolarHBondContact O-N 3.37Å; F76-R80 WeakPolarHBondContact O-CB 3.42Å; F76-R80 WeakPolarHBondContact O-CG 3.36Å; F76-R80 PolarHBondContact O-N 2.69Å
77K86.1Confident90Very high99 Ų9952 Ų5243%0.4328%0.283SS..Hα-helixtrans-59.6-41.6-172.8-178.8170.6-176.1-176.70113.6A74 R80 E111A74-K77 WeakPolarHBondContact O-CB 3.45Å; A74-K77 PolarHBondContact O-N 3.12Å; A74-K77 VanDerWaalsContact O-N 3.08Å; K77-R80 WeakPolarHBondContact O-CG 3.47Å; K77-E111 WeakPolarHBondContact CE-OE2 3.24Å
78D85.2Confident89.8Confident139 Ų13952.7 Ų52.774%0.74329%0.287SS*.Hα-helixtrans-71.2-43.1-178.1-61.9-31.6000111.1F76 T81F76-D78 PolarHBondContact O-N 3.46Å; D78-T81 PolarHBondContact O-OG1 3.33Å
79I87.5Confident89.7Confident99 Ų9951.5 Ų51.551%0.50828%0.282SS..Hα-helixtrans-67.3-42.2-178.1-60.7169.6000111F76 T81 V82 F83F76-I79 HydrophobicContact CD1-CD1 4.42Å; F76-I79 PolarHBondContact O-N 3.37Å; I79-T81 PolarHBondContact O-N 2.88Å; I79-T81 VanDerWaalsContact O-N 3.15Å; I79-V82 WeakPolarHBondContact O-CB 3.49Å; I79-V82 WeakPolarHBondContact O-CG2 3.47Å; I79-V82 PolarHBondContact O-N 2.83Å; I79-F83 HydrophobicContact CG2-CE2 4.42Å
80R91.8Very high89.7Confident12 Ų1251.4 Ų51.45%0.04528%0.282CS..Hα-helixtrans-65.1-24.6-171.570.1179.4176.5-129.17.1114.1I70 S73 F76 K77 V82 F83 E111I70-R80 HydrophobicContact CG2-CB 3.62Å; I70-R80 HydrophobicContact CG2-CG 4.28Å; S73-R80 PolarHBondContact O-NH1 3.2Å; F76-R80 WeakPolarHBondContact O-CB 3.42Å; F76-R80 WeakPolarHBondContact O-CG 3.36Å; F76-R80 PolarHBondContact O-N 2.69Å; K77-R80 WeakPolarHBondContact O-CG 3.47Å; R80-V82 PolarHBondContact O-N 2.99Å; R80-F83 HydrophobicContact CB-CD2 4.41Å; R80-F83 WeakPolarHBondContact O-CB 3.35Å; R80-F83 WeakPolarHBondContact O-CD2 3.4Å; R80-F83 PolarHBondContact O-N 3.48Å; R80-E111 IonicContact CZ-OE1 3.34Å; R80-E111 IonicContact CZ-OE2 2.73Å; R80-E111 IonicContact NE-OE1 2.8Å; R80-E111 PolarHBondContact NE-OE1 2.73Å; R80-E111 IonicContact NE-OE2 2.95Å; R80-E111 IonicContact NH2-OE1 3.89Å; R80-E111 PolarHBondContact NH2-OE1 3.42Å; R80-E111 IonicContact NH2-OE2 3.75Å; R80-E111 PolarHBondContact NH2-OE2 3.05Å
81T88.4Confident89.8Confident40 Ų4051.5 Ų51.525%0.24528%0.282CS..G310 helixtrans-62.1-26.3-179.7630000113.3D78 I79 F83 Y84D78-T81 PolarHBondContact O-OG1 3.33Å; I79-T81 PolarHBondContact O-N 2.88Å; I79-T81 VanDerWaalsContact O-N 3.15Å; T81-F83 PolarHBondContact O-N 2.97Å; T81-Y84 HydrophobicContact CG2-CD2 4.45Å; T81-Y84 HydrophobicContact CG2-CE2 4.07Å; T81-Y84 PolarHBondContact O-N 2.8Å; T81-Y84 VanDerWaalsContact O-N 3.15Å
82V89.4Confident90Very high97 Ų9751.5 Ų51.559%0.58828%0.282SS*.G310 helixtrans-60.4-32.3175.6-179.50000111.2I79 R80 Y84I79-V82 WeakPolarHBondContact O-CB 3.49Å; I79-V82 WeakPolarHBondContact O-CG2 3.47Å; I79-V82 PolarHBondContact O-N 2.83Å; R80-V82 PolarHBondContact O-N 2.99Å; V82-Y84 VanDerWaalsContact C-N 3.28Å; V82-Y84 PolarHBondContact O-N 2.6Å
83F91.8Very high90.4Very high56 Ų5651.1 Ų51.125%0.24628%0.278CS..G310 helixtrans-76.4-10.9-179.2-55.5-66.5000113.6K4 A44 F68 I70 I79 R80 T81 N85K4-F83 WeakPolarHBondContact CE-O 3.4Å; K4-F83 PolarHBondContact NZ-O 3.3Å; A44-F83 HydrophobicContact CB-CD1 3.85Å; A44-F83 HydrophobicContact CB-CD2 3.68Å; A44-F83 HydrophobicContact CB-CE1 3.77Å; A44-F83 HydrophobicContact CB-CE2 3.63Å; A44-F83 HydrophobicContact CB-CG 3.81Å; A44-F83 HydrophobicContact CB-CZ 3.68Å; F68-F83 HydrophobicContact CD1-CD1 4.45Å; I70-F83 HydrophobicContact CD1-CB 3.53Å; I70-F83 HydrophobicContact CD1-CD2 3.98Å; I70-F83 HydrophobicContact CD1-CG 3.91Å; I79-F83 HydrophobicContact CG2-CE2 4.42Å; R80-F83 HydrophobicContact CB-CD2 4.41Å; R80-F83 WeakPolarHBondContact O-CB 3.35Å; R80-F83 WeakPolarHBondContact O-CD2 3.4Å; R80-F83 PolarHBondContact O-N 3.48Å; T81-F83 PolarHBondContact O-N 2.97Å; F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 2.82Å
84Y90.9Very high90.5Very high0 Ų049.7 Ų49.70%027%0.266CS..G310 helixtrans-77.8-16178.4-55.8-25.6000113.4V8 T81 V82 G86 T87 E111 V112 K115 Q116V8-Y84 HydrophobicContact CG1-CE1 3.83Å; T81-Y84 HydrophobicContact CG2-CD2 4.45Å; T81-Y84 HydrophobicContact CG2-CE2 4.07Å; T81-Y84 PolarHBondContact O-N 2.8Å; T81-Y84 VanDerWaalsContact O-N 3.15Å; V82-Y84 VanDerWaalsContact C-N 3.28Å; V82-Y84 PolarHBondContact O-N 2.6Å; Y84-G86 PolarHBondContact O-N 2.96Å; Y84-T87 WeakPolarHBondContact O-CB 3.46Å; Y84-T87 PolarHBondContact O-N 3.29Å; Y84-T87 PolarHBondContact O-OG1 3.23Å; Y84-E111 HydrophobicContact CE2-CG 4.18Å; Y84-E111 PolarHBondContact OH-OE1 3.38Å; Y84-V112 HydrophobicContact CE1-CG2 4.08Å; Y84-V112 HydrophobicContact CE2-CG2 4.04Å; Y84-K115 HydrophobicContact CD2-CG 4.29Å; Y84-Q116 PolarHBondContact O-NE2 2.83Å
85N88.6Confident90.8Very high104 Ų10446.1 Ų46.156%0.55624%0.236SC*.THydrogen-bonded Turntrans-63.6134.9179.6-72.4-14000111.7K4 F83 T87K4-N85 PolarHBondContact NZ-O 2.91Å; F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 2.82Å; N85-T87 VanDerWaalsContact C-N 3.25Å; N85-T87 PolarHBondContact O-N 2.89Å
86G89.2Confident90.9Very high42 Ų4238.1 Ų38.143%0.43321%0.208SC..THydrogen-bonded Turntrans64.725.8179.300000114.4Y84Y84-G86 PolarHBondContact O-N 2.96Å
87T92.4Very high90.9Very high3 Ų337.9 Ų37.92%0.01821%0.209CC..  trans-68138.1173-61.80000109.7V6 Y84 N85 G89 I90 M123V6-T87 HydrophobicContact CB-CG2 4.4Å; V6-T87 HydrophobicContact CG1-CG2 4.06Å; V6-T87 WeakPolarHBondContact CG1-OG1 3.31Å; V6-T87 HydrophobicContact CG2-CG2 3.68Å; Y84-T87 WeakPolarHBondContact O-CB 3.46Å; Y84-T87 PolarHBondContact O-N 3.29Å; Y84-T87 PolarHBondContact O-OG1 3.23Å; N85-T87 VanDerWaalsContact C-N 3.25Å; N85-T87 PolarHBondContact O-N 2.89Å; T87-G89 WeakPolarHBondContact CG2-O 3.24Å; T87-I90 HydrophobicContact CG2-CG1 3.87Å; T87-M123 HydrophobicContact CG2-SD 4.49Å; T87-M123 WeakPolarHBondContact O-CE 3.13Å
88D92.9Very high90.8Very high17 Ų1738 Ų389%0.09121%0.206CC..SBendtrans-113.6-12.8178.3-57.5-44.2000113.1V3 K4 M123 V189 K193V3-D88 WeakPolarHBondContact CA-OD2 2.89Å; V3-D88 HydrophobicContact CB-CB 4.35Å; K4-D88 PolarHBondContact N-OD2 3.08Å; K4-D88 WeakPolarHBondContact O-CA 3.48Å; K4-D88 WeakPolarHBondContact O-CB 3.24Å; K4-D88 PolarHBondContact O-N 3.24Å; D88-M123 WeakPolarHBondContact CA-SD 3.38Å; D88-V189 HydrophobicContact CB-CG1 3.92Å; D88-K193 WeakPolarHBondContact OD1-CD 3.13Å; D88-K193 IonicContact OD1-NZ 2.6Å; D88-K193 PolarHBondContact OD1-NZ 2.78Å; D88-K193 IonicContact OD2-NZ 2.94Å; D88-K193 PolarHBondContact OD2-NZ 3.16Å
89G94.6Very high90.6Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-159.4154170.500000112K4 I5 V6 T87 M123 P124K4-G89 PolarHBondContact O-N 3.25Å; I5-G89 VanDerWaalsContact CA-O 3.32Å; I5-G89 WeakPolarHBondContact CA-O 3.16Å; V6-G89 PolarHBondContact N-O 3.15Å; V6-G89 VanDerWaalsContact N-O 3.08Å; T87-G89 WeakPolarHBondContact CG2-O 3.24Å; G89-M123 PolarHBondContact N-SD 2.89Å; G89-M123 VanDerWaalsContact N-SD 3.43Å; G89-P124 WeakPolarHBondContact CA-O 3.49Å
90I95Very high90.4Very high0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-123.3133-180-57.3159.1000109.9V6 V8 T87 F92 V112 L113 Q116 M123 P124 V125 L126V6-I90 HydrophobicContact CG2-CB 4.39Å; V6-I90 HydrophobicContact CG2-CG1 3.97Å; V6-I90 HydrophobicContact CG2-CG2 4.2Å; V8-I90 HydrophobicContact CG2-CG2 4.05Å; T87-I90 HydrophobicContact CG2-CG1 3.87Å; I90-F92 HydrophobicContact CB-CE2 4.33Å; I90-F92 HydrophobicContact CG2-CD1 4.35Å; I90-F92 HydrophobicContact CG2-CD2 3.91Å; I90-F92 HydrophobicContact CG2-CE1 3.99Å; I90-F92 HydrophobicContact CG2-CE2 3.53Å; I90-F92 HydrophobicContact CG2-CG 4.29Å; I90-F92 HydrophobicContact CG2-CZ 3.56Å; I90-V112 HydrophobicContact CD1-CG1 3.51Å; I90-V112 HydrophobicContact CG1-CG1 4.04Å; I90-V112 HydrophobicContact CG2-CG1 4.37Å; I90-L113 HydrophobicContact CD1-CD2 4.03Å; I90-Q116 HydrophobicContact CD1-CG 4.14Å; I90-M123 HydrophobicContact CD1-CB 4.26Å; I90-M123 HydrophobicContact CD1-CG 3.75Å; I90-M123 HydrophobicContact CG1-CG 3.89Å; I90-P124 PolarHBondContact N-O 2.79Å; I90-V125 HydrophobicContact CB-CG2 4.49Å; I90-V125 WeakPolarHBondContact O-CA 3.42Å; I90-L126 PolarHBondContact O-N 3.08Å
91I96.6Very high90.1Very high1 Ų135.1 Ų35.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.5117167.9-54.1-179.5000108.3I5 V6 V7 V8 F18 V93 L126 V128 F185I5-I91 HydrophobicContact CG2-CD1 3.89Å; I5-I91 HydrophobicContact CG2-CG1 3.79Å; V6-I91 PolarHBondContact O-N 3.27Å; V7-I91 WeakPolarHBondContact CA-O 3.28Å; V7-I91 HydrophobicContact CG1-CB 4.36Å; V7-I91 HydrophobicContact CG1-CG2 4.45Å; V7-I91 HydrophobicContact CG2-CB 4.3Å; V7-I91 HydrophobicContact CG2-CD1 4.3Å; V8-I91 PolarHBondContact N-O 3.42Å; F18-I91 HydrophobicContact CE1-CD1 3.74Å; F18-I91 HydrophobicContact CE1-CG2 3.88Å; F18-I91 HydrophobicContact CZ-CD1 4.02Å; F18-I91 HydrophobicContact CZ-CG2 4.4Å; I91-V93 HydrophobicContact CG2-CG2 4.01Å; I91-L126 CarbonylContact C-O 3.52Å; I91-L126 WeakPolarHBondContact CA-O 3.4Å; I91-L126 HydrophobicContact CD1-CD2 4.42Å; I91-L126 HydrophobicContact CG1-CB 4.3Å; I91-L126 HydrophobicContact CG1-CD2 4.49Å; I91-L126 HydrophobicContact CG2-CB 4.49Å; I91-L126 HydrophobicContact CG2-CD2 4.42Å; I91-V128 HydrophobicContact CG2-CB 4.47Å; I91-V128 HydrophobicContact CG2-CG2 3.52Å; I91-F185 HydrophobicContact CD1-CD1 4.48Å; I91-F185 HydrophobicContact CD1-CE1 3.72Å; I91-F185 HydrophobicContact CD1-CZ 4.3Å; I91-F185 HydrophobicContact CG1-CE1 3.59Å; I91-F185 HydrophobicContact CG1-CZ 3.66Å
92F95.3Very high90Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-93.9128.8170.6-63.4-79.6000110.5V8 I90 L105 W108 V109 V112 V125 L126 V127 V128 I154V8-F92 HydrophobicContact CG2-CD1 3.39Å; V8-F92 HydrophobicContact CG2-CE1 3.59Å; V8-F92 HydrophobicContact CG2-CG 4.22Å; I90-F92 HydrophobicContact CB-CE2 4.33Å; I90-F92 HydrophobicContact CG2-CD1 4.35Å; I90-F92 HydrophobicContact CG2-CD2 3.91Å; I90-F92 HydrophobicContact CG2-CE1 3.99Å; I90-F92 HydrophobicContact CG2-CE2 3.53Å; I90-F92 HydrophobicContact CG2-CG 4.29Å; I90-F92 HydrophobicContact CG2-CZ 3.56Å; F92-L105 HydrophobicContact CB-CD1 3.49Å; F92-L105 VanDerWaalsContact CB-CD1 3.49Å; F92-L105 HydrophobicContact CD1-CD1 4.32Å; F92-L105 HydrophobicContact CG-CD1 4.14Å; F92-W108 HydrophobicContact CD1-CB 4.08Å; F92-W108 HydrophobicContact CE1-CB 4.21Å; F92-V109 HydrophobicContact CD1-CG2 4.01Å; F92-V109 HydrophobicContact CD2-CG2 4.12Å; F92-V109 HydrophobicContact CE1-CB 4.31Å; F92-V109 HydrophobicContact CE1-CG2 3.83Å; F92-V109 HydrophobicContact CE2-CG2 3.92Å; F92-V109 HydrophobicContact CG-CG2 4.18Å; F92-V109 HydrophobicContact CZ-CB 4.22Å; F92-V109 HydrophobicContact CZ-CG2 3.78Å; F92-V112 HydrophobicContact CE1-CB 4.28Å; F92-V112 HydrophobicContact CE1-CG2 4.2Å; F92-V112 HydrophobicContact CZ-CB 4.27Å; F92-V125 HydrophobicContact CD2-CG1 3.52Å; F92-V125 HydrophobicContact CE2-CG1 3.65Å; F92-V125 HydrophobicContact CE2-CG2 4.42Å; F92-L126 PolarHBondContact N-O 2.88Å; F92-V127 CarbonylContact O-C 3.26Å; F92-V127 WeakPolarHBondContact O-CA 3.42Å; F92-V128 PolarHBondContact O-N 3.21Å; F92-I154 HydrophobicContact CD2-CD1 4.18Å
93V95Very high89.8Confident1 Ų136.5 Ų36.51%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-119.3131.3-177.3-172.60000110.1V7 V8 G9 A13 K15 F18 I91 V128 T130V7-V93 HydrophobicContact CG1-CG2 3.57Å; V8-V93 PolarHBondContact O-N 3.49Å; G9-V93 WeakPolarHBondContact CA-O 3.39Å; A13-V93 HydrophobicContact CB-CG1 4.42Å; A13-V93 WeakPolarHBondContact O-CG1 3.37Å; K15-V93 HydrophobicContact CD-CB 4.43Å; K15-V93 HydrophobicContact CG-CB 3.69Å; K15-V93 HydrophobicContact CG-CG1 4.03Å; K15-V93 HydrophobicContact CG-CG2 3.88Å; F18-V93 HydrophobicContact CD1-CG2 4.41Å; I91-V93 HydrophobicContact CG2-CG2 4.01Å; V93-V128 WeakPolarHBondContact CA-O 3.32Å; V93-V128 HydrophobicContact CG2-CB 4.27Å; V93-T130 HydrophobicContact CG1-CG2 3.57Å
94Y93.1Very high89.7Confident12 Ų1234.6 Ų34.65%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-132.9156.4173.473.6-85.3000110.3T96 A101 L105 V127 V128 G129 T130 F147 E163Y94-T96 HydrophobicContact CE2-CG2 3.81Å; Y94-A101 HydrophobicContact CD2-CB 3.85Å; Y94-L105 HydrophobicContact CD1-CD2 4.06Å; Y94-V127 HydrophobicContact CD1-CG1 4.02Å; Y94-V127 HydrophobicContact CE1-CG1 3.79Å; Y94-V128 WeakPolarHBondContact CD1-O 3.41Å; Y94-V128 PolarHBondContact N-O 3.47Å; Y94-G129 VanDerWaalsContact CZ-CA 3.47Å; Y94-G129 WeakPolarHBondContact O-CA 3.44Å; Y94-T130 PolarHBondContact O-N 2.82Å; Y94-T130 PolarHBondContact O-OG1 3.43Å; Y94-F147 HydrophobicContact CD1-CD2 4.4Å; Y94-F147 AromaticContact CD1-CE2 3.63Å; Y94-F147 HydrophobicContact CD1-CE2 3.63Å; Y94-F147 AromaticContact CD2-CE2 3.57Å; Y94-F147 HydrophobicContact CD2-CE2 3.57Å; Y94-F147 AromaticContact CD2-CZ 3.76Å; Y94-F147 HydrophobicContact CD2-CZ 3.76Å; Y94-F147 AromaticContact CE1-CD2 3.96Å; Y94-F147 HydrophobicContact CE1-CD2 3.96Å; Y94-F147 AromaticContact CE1-CE2 3.46Å; Y94-F147 HydrophobicContact CE1-CE2 3.46Å; Y94-F147 VanDerWaalsContact CE1-CE2 3.46Å; Y94-F147 HydrophobicContact CE2-CD2 4.41Å; Y94-F147 AromaticContact CE2-CE2 3.4Å; Y94-F147 HydrophobicContact CE2-CE2 3.4Å; Y94-F147 VanDerWaalsContact CE2-CE2 3.4Å; Y94-F147 AromaticContact CE2-CZ 3.72Å; Y94-F147 HydrophobicContact CE2-CZ 3.72Å; Y94-F147 AromaticContact CG-CE2 3.66Å; Y94-F147 HydrophobicContact CG-CE2 3.66Å; Y94-F147 HydrophobicContact CG-CZ 4.18Å; Y94-F147 AromaticContact CZ-CD2 3.96Å; Y94-F147 AromaticContact CZ-CE2 3.34Å; Y94-E163 WeakPolarHBondContact CE1-OE1 3.33Å; Y94-E163 PolarHBondContact OH-OE1 3.22Å
95S91.1Very high89.6Confident4 Ų434.7 Ų34.73%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-93.2128.8170.7177.10000109.8L97 R98 K131S95-L97 PolarHBondContact O-N 3.01Å; S95-L97 VanDerWaalsContact O-N 3.16Å; S95-L97 PolarHBondContact OG-N 3.28Å; S95-R98 PolarHBondContact O-N 2.93Å; S95-K131 WeakPolarHBondContact OG-CD 3.34Å
96T88.3Confident89.6Confident26 Ų2631.1 Ų31.116%0.1618%0.18CC..THydrogen-bonded Turntrans-66.4-12.9177.6580000113.6Y94 T130 K131 V132Y94-T96 HydrophobicContact CE2-CG2 3.81Å; T96-T130 PolarHBondContact N-O 3.27Å; T96-T130 PolarHBondContact OG1-O 3.12Å; T96-K131 PolarHBondContact OG1-O 3.4Å; T96-V132 HydrophobicContact CG2-CG1 3.8Å
97L86.6Confident89.7Confident44 Ų4432.1 Ų32.123%0.2318%0.181CC..THydrogen-bonded Turntrans-81.7-14.3178.9-53.9-177.5000113.7S95 K131 L134 M135 W138S95-L97 PolarHBondContact O-N 3.01Å; S95-L97 VanDerWaalsContact O-N 3.16Å; S95-L97 PolarHBondContact OG-N 3.28Å; L97-K131 HydrophobicContact CD1-CB 3.98Å; L97-K131 HydrophobicContact CD1-CD 3.89Å; L97-K131 HydrophobicContact CG-CB 4.03Å; L97-K131 HydrophobicContact CG-CD 4.49Å; L97-L134 HydrophobicContact CD1-CB 3.7Å; L97-L134 HydrophobicContact CD1-CD1 3.69Å; L97-L134 HydrophobicContact CD1-CG 4.33Å; L97-L134 HydrophobicContact CD2-CB 3.73Å; L97-L134 HydrophobicContact CG-CB 4.26Å; L97-M135 HydrophobicContact CD2-CB 4.14Å; L97-W138 HydrophobicContact CB-CH2 4.39Å; L97-W138 HydrophobicContact CB-CZ3 3.94Å; L97-W138 HydrophobicContact CD1-CH2 4.5Å; L97-W138 HydrophobicContact CD1-CZ3 4.48Å; L97-W138 HydrophobicContact CD2-CE3 4.09Å; L97-W138 HydrophobicContact CD2-CH2 4.45Å; L97-W138 HydrophobicContact CD2-CZ3 3.67Å; L97-W138 HydrophobicContact CG-CZ3 4.22Å
98R82.5Confident89.6Confident100 Ų10032.3 Ų32.338%0.37718%0.181SC..  trans-91.3121.7-174.5-67.8-176.265.9133.26.2110.4D10 S95 N100 A101D10-R98 IonicContact OD2-CZ 3.54Å; D10-R98 IonicContact OD2-NE 3.59Å; D10-R98 IonicContact OD2-NH1 2.66Å; D10-R98 IonicContact OD2-NH2 3.21Å; S95-R98 PolarHBondContact O-N 2.93Å; R98-N100 PolarHBondContact NE-OD1 2.96Å; R98-N100 PolarHBondContact NH2-ND2 3.44Å; R98-N100 PolarHBondContact NH2-OD1 2.95Å; R98-N100 PolarHBondContact O-N 3.26Å; R98-A101 HydrophobicContact CB-CB 4.14Å; R98-A101 WeakPolarHBondContact O-CB 3.45Å; R98-A101 PolarHBondContact O-N 3.2Å; R98-A101 VanDerWaalsContact O-N 3.08Å
99S81.3Confident89.5Confident119 Ų11931.8 Ų31.883%0.83218%0.178SC*.THydrogen-bonded Turntrans-60.1-30.3174.856.60000113
100N84.8Confident89.1Confident64 Ų6433.2 Ų33.234%0.34219%0.187SC..THydrogen-bonded Turntrans-92.412.7178.479.9-31.1000114R98 F102 T103 S104R98-N100 PolarHBondContact NE-OD1 2.96Å; R98-N100 PolarHBondContact NH2-ND2 3.44Å; R98-N100 PolarHBondContact NH2-OD1 2.95Å; R98-N100 PolarHBondContact O-N 3.26Å; N100-F102 PolarHBondContact O-N 2.99Å; N100-T103 PolarHBondContact O-N 2.96Å; N100-T103 PolarHBondContact O-OG1 3.43Å; N100-T103 VanDerWaalsContact O-OG1 3.05Å; N100-S104 WeakPolarHBondContact O-CB 3.41Å; N100-S104 PolarHBondContact O-N 2.87Å
101A85.2Confident88.9Confident7 Ų734.4 Ų34.46%0.05819%0.193CC..Hα-helixtrans-58.4-36.7-17600000112.4Y94 R98 L105 F147Y94-A101 HydrophobicContact CD2-CB 3.85Å; R98-A101 HydrophobicContact CB-CB 4.14Å; R98-A101 WeakPolarHBondContact O-CB 3.45Å; R98-A101 PolarHBondContact O-N 3.2Å; R98-A101 VanDerWaalsContact O-N 3.08Å; A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.4Å; A101-F147 HydrophobicContact CB-CE1 4.39Å; A101-F147 HydrophobicContact CB-CZ 3.67Å
102F84.6Confident88.5Confident78 Ų7834.4 Ų34.434%0.34219%0.193SC..Hα-helixtrans-58.7-56.6176-176.9-80.8000111.5N100 S104 L105 L106 F147 I150N100-F102 PolarHBondContact O-N 2.99Å; F102-S104 VanDerWaalsContact C-N 3.32Å; F102-S104 PolarHBondContact O-N 3.11Å; F102-L105 PolarHBondContact O-N 3Å; F102-L106 HydrophobicContact CE1-CD2 4.23Å; F102-L106 WeakPolarHBondContact O-CB 3.32Å; F102-L106 PolarHBondContact O-N 2.86Å; F102-F147 HydrophobicContact CB-CD1 3.8Å; F102-F147 HydrophobicContact CB-CE1 3.45Å; F102-F147 VanDerWaalsContact CB-CE1 3.45Å; F102-F147 HydrophobicContact CB-CZ 4.36Å; F102-F147 HydrophobicContact CD2-CB 4.2Å; F102-F147 AromaticContact CD2-CD1 3.42Å; F102-F147 HydrophobicContact CD2-CD1 3.42Å; F102-F147 VanDerWaalsContact CD2-CD1 3.42Å; F102-F147 HydrophobicContact CD2-CE1 4.03Å; F102-F147 HydrophobicContact CD2-CG 4.14Å; F102-F147 HydrophobicContact CE2-CB 4.43Å; F102-F147 HydrophobicContact CE2-CD1 4.4Å; F102-F147 HydrophobicContact CG-CD1 4.05Å; F102-F147 HydrophobicContact CG-CE1 4.21Å; F102-F147 VanDerWaalsContact N-CE1 3.31Å; F102-I150 HydrophobicContact CB-CD1 4.2Å; F102-I150 HydrophobicContact CD1-CD1 4.06Å; F102-I150 HydrophobicContact CD1-CG1 4.4Å; F102-I150 HydrophobicContact CD2-CD1 3.52Å; F102-I150 HydrophobicContact CD2-CG1 3.73Å; F102-I150 HydrophobicContact CE1-CD1 4.28Å; F102-I150 HydrophobicContact CE1-CG1 4.12Å; F102-I150 HydrophobicContact CE2-CD1 3.78Å; F102-I150 HydrophobicContact CE2-CG1 3.41Å; F102-I150 VanDerWaalsContact CE2-CG1 3.41Å; F102-I150 HydrophobicContact CG-CD1 3.65Å; F102-I150 HydrophobicContact CG-CG1 4.2Å; F102-I150 HydrophobicContact CZ-CD1 4.13Å; F102-I150 HydrophobicContact CZ-CG1 3.6Å; F102-I150 WeakPolarHBondContact O-CD1 3.44Å
103T87Confident87.8Confident89 Ų8934.9 Ų34.955%0.54620%0.195SC..Hα-helixtrans-67-37.9-173.351.40000111.4N100 S107N100-T103 PolarHBondContact O-N 2.96Å; N100-T103 PolarHBondContact O-OG1 3.43Å; N100-T103 VanDerWaalsContact O-OG1 3.05Å; T103-S107 PolarHBondContact O-N 3.28Å
104S89.1Confident87.1Confident16 Ų1637.7 Ų37.711%0.11221%0.21CC..Hα-helixtrans-61.9-51.8172.6172.90000112D10 N100 F102 L106 S107 W108D10-S104 PolarHBondContact OD1-OG 2.89Å; D10-S104 WeakPolarHBondContact OD2-CB 3.49Å; D10-S104 PolarHBondContact OD2-OG 3.01Å; N100-S104 WeakPolarHBondContact O-CB 3.41Å; N100-S104 PolarHBondContact O-N 2.87Å; F102-S104 VanDerWaalsContact C-N 3.32Å; F102-S104 PolarHBondContact O-N 3.11Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.16Å; S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 VanDerWaalsContact O-CB 3.27Å; S104-S107 WeakPolarHBondContact O-CB 3.47Å; S104-S107 PolarHBondContact O-N 3.32Å; S104-W108 PolarHBondContact O-N 3.02Å
105L89.6Confident86.4Confident2 Ų242.3 Ų42.31%0.0123%0.23CC..Hα-helixtrans-58.7-42179.2-176.365.3000111.3F92 Y94 A101 F102 S107 W108 V109 V127 F147 I150F92-L105 HydrophobicContact CB-CD1 3.49Å; F92-L105 VanDerWaalsContact CB-CD1 3.49Å; F92-L105 HydrophobicContact CD1-CD1 4.32Å; F92-L105 HydrophobicContact CG-CD1 4.14Å; Y94-L105 HydrophobicContact CD1-CD2 4.06Å; A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.4Å; F102-L105 PolarHBondContact O-N 3Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.1Å; L105-W108 PolarHBondContact O-N 2.76Å; L105-W108 VanDerWaalsContact O-N 3.16Å; L105-V109 HydrophobicContact CG-CG2 4.49Å; L105-V109 VanDerWaalsContact O-CG2 3.27Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 3.04Å; L105-V127 HydrophobicContact CD2-CG1 4.05Å; L105-F147 HydrophobicContact CD2-CD2 3.45Å; L105-F147 VanDerWaalsContact CD2-CD2 3.45Å; L105-F147 HydrophobicContact CD2-CE2 3.46Å; L105-F147 VanDerWaalsContact CD2-CE2 3.46Å; L105-F147 HydrophobicContact CD2-CG 4.4Å; L105-F147 HydrophobicContact CD2-CZ 4.41Å; L105-I150 HydrophobicContact CB-CD1 3.9Å; L105-I150 HydrophobicContact CD2-CD1 3.88Å; L105-I150 HydrophobicContact CD2-CG2 3.96Å; L105-I150 HydrophobicContact CG-CD1 4.07Å; L105-I150 HydrophobicContact CG-CG2 4.13Å
106L87.9Confident85.4Confident29 Ų2942.4 Ų42.415%0.15223%0.23CC..Hα-helixtrans-60.6-38.7174.5-177.862.8000112.5F102 S104 V109 T110 I150 R153F102-L106 HydrophobicContact CE1-CD2 4.23Å; F102-L106 WeakPolarHBondContact O-CB 3.32Å; F102-L106 PolarHBondContact O-N 2.86Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.16Å; L106-V109 PolarHBondContact O-N 2.88Å; L106-T110 WeakPolarHBondContact O-CB 3.33Å; L106-T110 PolarHBondContact O-N 3.05Å; L106-T110 PolarHBondContact O-OG1 3.05Å; L106-I150 HydrophobicContact CB-CD1 4.32Å; L106-R153 VanDerWaalsContact CD1-CD 3.46Å
107S90.1Very high84.1Confident62 Ų6242.2 Ų42.243%0.43423%0.228SC..Hα-helixtrans-62.4-43.6173.8-178.40000111.4T103 S104 L105 T110 E111T103-S107 PolarHBondContact O-N 3.28Å; S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 VanDerWaalsContact O-CB 3.27Å; S104-S107 WeakPolarHBondContact O-CB 3.47Å; S104-S107 PolarHBondContact O-N 3.32Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.1Å; S107-T110 PolarHBondContact O-N 3.41Å; S107-E111 WeakPolarHBondContact O-CB 3.43Å; S107-E111 PolarHBondContact O-N 2.9Å
108W92.2Very high82.6Confident7 Ų746.6 Ų46.63%0.02725%0.249CC..Hα-helixtrans-65-45.1176.8-76.5104.4000112.3V8 G9 D10 F92 S104 L105 T110 E111 V112V8-W108 HydrophobicContact CB-CE3 3.82Å; V8-W108 HydrophobicContact CB-CZ3 4.09Å; V8-W108 HydrophobicContact CG1-CE3 4.41Å; V8-W108 HydrophobicContact CG1-CZ3 4.35Å; G9-W108 VanDerWaalsContact C-CZ2 3.49Å; G9-W108 VanDerWaalsContact O-CZ2 3.23Å; G9-W108 WeakPolarHBondContact O-CZ2 3.23Å; D10-W108 PolarHBondContact OD1-NE1 3.45Å; F92-W108 HydrophobicContact CD1-CB 4.08Å; F92-W108 HydrophobicContact CE1-CB 4.21Å; S104-W108 PolarHBondContact O-N 3.02Å; L105-W108 PolarHBondContact O-N 2.76Å; L105-W108 VanDerWaalsContact O-N 3.16Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 3.36Å; W108-E111 PolarHBondContact O-N 2.71Å; W108-V112 WeakPolarHBondContact O-CG2 3.47Å; W108-V112 PolarHBondContact O-N 3.48Å
109V89.2Confident81.6Confident6 Ų646.3 Ų46.34%0.03625%0.252CS..Hα-helixtrans-57.1-48.4175.4170.50000110.3F92 L105 L106 E111 L113 I150 I154F92-V109 HydrophobicContact CD1-CG2 4.01Å; F92-V109 HydrophobicContact CD2-CG2 4.12Å; F92-V109 HydrophobicContact CE1-CB 4.31Å; F92-V109 HydrophobicContact CE1-CG2 3.83Å; F92-V109 HydrophobicContact CE2-CG2 3.92Å; F92-V109 HydrophobicContact CG-CG2 4.18Å; F92-V109 HydrophobicContact CZ-CB 4.22Å; F92-V109 HydrophobicContact CZ-CG2 3.78Å; L105-V109 HydrophobicContact CG-CG2 4.49Å; L105-V109 VanDerWaalsContact O-CG2 3.27Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 3.04Å; L106-V109 PolarHBondContact O-N 2.88Å; V109-E111 PolarHBondContact O-N 3.26Å; V109-L113 HydrophobicContact CG1-CD1 3.48Å; V109-L113 VanDerWaalsContact CG1-CD1 3.48Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 WeakPolarHBondContact O-CB 3.33Å; V109-L113 VanDerWaalsContact O-CG 3.24Å; V109-L113 WeakPolarHBondContact O-CG 3.47Å; V109-L113 PolarHBondContact O-N 2.8Å; V109-I150 HydrophobicContact CG2-CG2 4.15Å; V109-I154 HydrophobicContact CG1-CG1 4.25Å; V109-I154 HydrophobicContact CG2-CD1 3.9Å; V109-I154 HydrophobicContact CG2-CG1 4.06Å
110T87.4Confident80.4Confident31 Ų3142.2 Ų42.219%0.1923%0.228CC..Hα-helixtrans-62.5-43.6178.6-56.50000111.6L106 S107 W108 N114 I209L106-T110 WeakPolarHBondContact O-CB 3.33Å; L106-T110 PolarHBondContact O-N 3.05Å; L106-T110 PolarHBondContact O-OG1 3.05Å; S107-T110 PolarHBondContact O-N 3.41Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 3.36Å; T110-N114 WeakPolarHBondContact CG2-ND2 3.12Å; T110-N114 WeakPolarHBondContact O-CB 3.32Å; T110-N114 PolarHBondContact O-N 3.03Å; T110-N114 VanDerWaalsContact O-N 3.09Å; T110-N114 PolarHBondContact O-ND2 3.44Å; T110-N114 VanDerWaalsContact O-ND2 3.09Å; T110-I209 HydrophobicContact CG2-CG2 4.4Å
111E89.8Confident79.4Confident25 Ų2541 Ų4112%0.11723%0.227CC..Hα-helixtrans-62-50.5180-175-178.6123.900112.4K77 R80 Y84 S107 W108 V109K77-E111 WeakPolarHBondContact CE-OE2 3.24Å; R80-E111 IonicContact CZ-OE1 3.34Å; R80-E111 IonicContact CZ-OE2 2.73Å; R80-E111 IonicContact NE-OE1 2.8Å; R80-E111 PolarHBondContact NE-OE1 2.73Å; R80-E111 IonicContact NE-OE2 2.95Å; R80-E111 IonicContact NH2-OE1 3.89Å; R80-E111 PolarHBondContact NH2-OE1 3.42Å; R80-E111 IonicContact NH2-OE2 3.75Å; R80-E111 PolarHBondContact NH2-OE2 3.05Å; Y84-E111 HydrophobicContact CE2-CG 4.18Å; Y84-E111 PolarHBondContact OH-OE1 3.38Å; S107-E111 WeakPolarHBondContact O-CB 3.43Å; S107-E111 PolarHBondContact O-N 2.9Å; W108-E111 PolarHBondContact O-N 2.71Å; V109-E111 PolarHBondContact O-N 3.26Å
112V89.1Confident79Confident0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-73.3-46.9-175.8-179.70000110.9V8 Y84 I90 F92 W108 N114 K115 Q116V8-V112 HydrophobicContact CB-CG2 4.48Å; V8-V112 HydrophobicContact CG1-CG2 4.17Å; V8-V112 HydrophobicContact CG2-CG2 4.09Å; Y84-V112 HydrophobicContact CE1-CG2 4.08Å; Y84-V112 HydrophobicContact CE2-CG2 4.04Å; I90-V112 HydrophobicContact CD1-CG1 3.51Å; I90-V112 HydrophobicContact CG1-CG1 4.04Å; I90-V112 HydrophobicContact CG2-CG1 4.37Å; F92-V112 HydrophobicContact CE1-CB 4.28Å; F92-V112 HydrophobicContact CE1-CG2 4.2Å; F92-V112 HydrophobicContact CZ-CB 4.27Å; W108-V112 WeakPolarHBondContact O-CG2 3.47Å; W108-V112 PolarHBondContact O-N 3.48Å; V112-N114 PolarHBondContact O-N 2.97Å; V112-K115 WeakPolarHBondContact O-CB 3.41Å; V112-K115 PolarHBondContact O-N 2.83Å; V112-K115 VanDerWaalsContact O-N 3.09Å; V112-Q116 HydrophobicContact CG1-CG 4.28Å; V112-Q116 PolarHBondContact O-N 2.97Å
113L80.7Confident79.1Confident10 Ų1039.6 Ų39.65%0.05222%0.221CC..Hα-helixtrans-70-32.5-175.8-64.1-178.8000112.7I90 V109 K115 Q116 M117 C157I90-L113 HydrophobicContact CD1-CD2 4.03Å; V109-L113 HydrophobicContact CG1-CD1 3.48Å; V109-L113 VanDerWaalsContact CG1-CD1 3.48Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 WeakPolarHBondContact O-CB 3.33Å; V109-L113 VanDerWaalsContact O-CG 3.24Å; V109-L113 WeakPolarHBondContact O-CG 3.47Å; V109-L113 PolarHBondContact O-N 2.8Å; L113-K115 PolarHBondContact O-N 3.25Å; L113-Q116 PolarHBondContact O-N 2.8Å; L113-Q116 VanDerWaalsContact O-N 3.13Å; L113-M117 HydrophobicContact CB-SD 4.45Å; L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.27Å; L113-M117 PolarHBondContact O-N 2.82Å; L113-C157 HydrophobicContact CD1-CB 4.23Å; L113-C157 WeakPolarHBondContact CD1-SG 3.46Å
114N80.5Confident79.4Confident60 Ų6035.7 Ų35.732%0.32120%0.197SC..Hα-helixtrans-59.6-29.4172.1-78.2-19.4000112.3T110 V112 M118T110-N114 WeakPolarHBondContact CG2-ND2 3.12Å; T110-N114 WeakPolarHBondContact O-CB 3.32Å; T110-N114 PolarHBondContact O-N 3.03Å; T110-N114 VanDerWaalsContact O-N 3.09Å; T110-N114 PolarHBondContact O-ND2 3.44Å; T110-N114 VanDerWaalsContact O-ND2 3.09Å; V112-N114 PolarHBondContact O-N 2.97Å; N114-M118 WeakPolarHBondContact O-CG 3.33Å
115K76.8Confident79.6Confident109 Ų10935 Ų3547%0.47419%0.192SC..Hα-helixtrans-81-36.8174.4-64.9-68-173.21760112.3Y84 V112 L113 M118Y84-K115 HydrophobicContact CD2-CG 4.29Å; V112-K115 WeakPolarHBondContact O-CB 3.41Å; V112-K115 PolarHBondContact O-N 2.83Å; V112-K115 VanDerWaalsContact O-N 3.09Å; L113-K115 PolarHBondContact O-N 3.25Å; K115-M118 WeakPolarHBondContact O-CB 3.09Å
116Q70.3Confident79.9Confident6 Ų634.9 Ų34.93%0.02819%0.191CC..Hα-helixtrans-75.8-36.7179.4-65.2-55.1-40.300113.8Y84 I90 V112 L113 M118 Q119 G120Y84-Q116 PolarHBondContact O-NE2 2.83Å; I90-Q116 HydrophobicContact CD1-CG 4.14Å; V112-Q116 HydrophobicContact CG1-CG 4.28Å; V112-Q116 PolarHBondContact O-N 2.97Å; L113-Q116 PolarHBondContact O-N 2.8Å; L113-Q116 VanDerWaalsContact O-N 3.13Å; Q116-M118 PolarHBondContact O-N 2.9Å; Q116-M118 VanDerWaalsContact O-N 3.12Å; Q116-Q119 WeakPolarHBondContact O-CA 3.33Å; Q116-Q119 VanDerWaalsContact O-CB 3.28Å; Q116-Q119 WeakPolarHBondContact O-CB 3.07Å; Q116-Q119 PolarHBondContact O-N 2.79Å; Q116-G120 PolarHBondContact O-N 2.89Å
117M60.9Low80.1Confident23 Ų2333.5 Ų33.511%0.11318%0.184CC..THydrogen-bonded Turntrans-63.9-18.6177.2-70.5171.865.200112.6L113 Q119 Y205 I209L113-M117 HydrophobicContact CB-SD 4.45Å; L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.27Å; L113-M117 PolarHBondContact O-N 2.82Å; M117-Q119 PolarHBondContact O-N 3.09Å; M117-Y205 HydrophobicContact CE-CD1 3.05Å; M117-Y205 HydrophobicContact CE-CE1 3.15Å; M117-Y205 HydrophobicContact CE-CG 4.04Å; M117-Y205 HydrophobicContact SD-CD1 4.21Å; M117-Y205 HydrophobicContact SD-CE1 3.71Å; M117-I209 HydrophobicContact CE-CD1 3.63Å; M117-I209 HydrophobicContact SD-CD1 3.34Å; M117-I209 WeakPolarHBondContact SD-CD1 3.39Å
118M55.1Low80.3Confident136 Ų13630.6 Ų30.667%0.6716%0.163SC*.THydrogen-bonded Turntrans-69.9-19.8168.7-63.3-66.7-76.600112.6N114 K115 Q116N114-M118 WeakPolarHBondContact O-CG 3.33Å; K115-M118 WeakPolarHBondContact O-CB 3.09Å; Q116-M118 PolarHBondContact O-N 2.9Å; Q116-M118 VanDerWaalsContact O-N 3.12Å
119Q61.2Low80.3Confident94 Ų9430.2 Ų30.244%0.43916%0.162SC..THydrogen-bonded Turntrans-95.9-11.5-178.7-55.8-177.82.700113.6Q116 M117Q116-Q119 WeakPolarHBondContact O-CA 3.33Å; Q116-Q119 VanDerWaalsContact O-CB 3.28Å; Q116-Q119 WeakPolarHBondContact O-CB 3.07Å; Q116-Q119 PolarHBondContact O-N 2.79Å; M117-Q119 PolarHBondContact O-N 3.09Å
120G57Low80.5Confident32 Ų3230 Ų3033%0.3316%0.161SC..THydrogen-bonded Turntrans829.5167.100000117.3Q116Q116-G120 PolarHBondContact O-N 2.89Å
121A63.3Low80.7Confident38 Ų3830.7 Ų30.731%0.31416%0.161SC..  trans-114.7147.4-179.500000112.7M123A121-M123 PolarHBondContact O-N 2.83Å
122Q78.1Confident80.6Confident42 Ų4230.2 Ų30.220%0.19616%0.16CC..PPolyproline II helixtrans-74.4120.8166.2-66.9-164.6-66.700108.6C157 N192Q122-C157 WeakPolarHBondContact CG-O 3.46Å; Q122-C157 PolarHBondContact NE2-O 3.15Å; Q122-N192 PolarHBondContact O-ND2 2.84Å; Q122-N192 VanDerWaalsContact O-ND2 3.15Å
123M86.4Confident80.5Confident15 Ų1531.1 Ų31.17%0.07417%0.165CC..PPolyproline II helixtrans-98.8126.1-176.4-168.259.262.600109.4T87 D88 G89 I90 A121 V125 D158T87-M123 HydrophobicContact CG2-SD 4.49Å; T87-M123 WeakPolarHBondContact O-CE 3.13Å; D88-M123 WeakPolarHBondContact CA-SD 3.38Å; G89-M123 PolarHBondContact N-SD 2.89Å; G89-M123 VanDerWaalsContact N-SD 3.43Å; I90-M123 HydrophobicContact CD1-CB 4.26Å; I90-M123 HydrophobicContact CD1-CG 3.75Å; I90-M123 HydrophobicContact CG1-CG 3.89Å; A121-M123 PolarHBondContact O-N 2.83Å; M123-V125 WeakPolarHBondContact O-CG2 3.25Å; M123-V125 PolarHBondContact O-N 2.88Å; M123-D158 WeakPolarHBondContact O-CB 3.31Å
124P92.9Very high80.7Confident7 Ų733.8 Ų33.85%0.04518%0.179CC..PPolyproline II helixtrans-56.4133.3171.8-2735.9000111.3G89 I90 D158 F185 R188 V189 N192G89-P124 WeakPolarHBondContact CA-O 3.49Å; I90-P124 PolarHBondContact N-O 2.79Å; P124-D158 WeakPolarHBondContact CA-OD2 3.25Å; P124-F185 HydrophobicContact CB-CD2 4.31Å; P124-F185 HydrophobicContact CB-CE2 4.11Å; P124-R188 HydrophobicContact CB-CB 4.15Å; P124-R188 HydrophobicContact CG-CB 4.19Å; P124-V189 HydrophobicContact CB-CG2 3.85Å; P124-V189 HydrophobicContact CG-CG2 4.22Å; P124-N192 WeakPolarHBondContact CD-ND2 3.49Å; P124-N192 HydrophobicContact CG-CB 3.96Å
125V93.3Very high80.5Confident1 Ų132.1 Ų32.11%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-123.5141.3-179.8-177.30000110.9I90 F92 M123 V127 I154 D158 A161 R188I90-V125 HydrophobicContact CB-CG2 4.49Å; I90-V125 WeakPolarHBondContact O-CA 3.42Å; F92-V125 HydrophobicContact CD2-CG1 3.52Å; F92-V125 HydrophobicContact CE2-CG1 3.65Å; F92-V125 HydrophobicContact CE2-CG2 4.42Å; M123-V125 WeakPolarHBondContact O-CG2 3.25Å; M123-V125 PolarHBondContact O-N 2.88Å; V125-V127 HydrophobicContact CG1-CG2 4.47Å; V125-I154 HydrophobicContact CB-CG2 3.71Å; V125-I154 HydrophobicContact CG1-CD1 4.38Å; V125-I154 HydrophobicContact CG1-CG2 3.5Å; V125-I154 VanDerWaalsContact CG1-CG2 3.5Å; V125-I154 HydrophobicContact CG2-CG2 4.16Å; V125-D158 HydrophobicContact CB-CB 4.39Å; V125-D158 HydrophobicContact CG2-CB 4.21Å; V125-D158 PolarHBondContact N-OD2 3.16Å; V125-A161 HydrophobicContact CB-CB 4.17Å; V125-A161 WeakPolarHBondContact O-CA 3.49Å; V125-R188 PolarHBondContact O-NH2 3.42Å; V125-R188 VanDerWaalsContact O-NH2 3.1Å
126L94.7Very high80.2Confident0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-124.9137165.1-178.269.7000109.3I90 I91 F92 V128 E162 I164 F185I90-L126 PolarHBondContact O-N 3.08Å; I91-L126 CarbonylContact C-O 3.52Å; I91-L126 WeakPolarHBondContact CA-O 3.4Å; I91-L126 HydrophobicContact CD1-CD2 4.42Å; I91-L126 HydrophobicContact CG1-CB 4.3Å; I91-L126 HydrophobicContact CG1-CD2 4.49Å; I91-L126 HydrophobicContact CG2-CB 4.49Å; I91-L126 HydrophobicContact CG2-CD2 4.42Å; F92-L126 PolarHBondContact N-O 2.88Å; L126-V128 HydrophobicContact CD2-CG2 3.97Å; L126-V128 HydrophobicContact CG-CG2 4.02Å; L126-E162 HydrophobicContact CD1-CB 4.2Å; L126-I164 HydrophobicContact CD1-CD1 4.45Å; L126-I164 HydrophobicContact CD1-CG1 4.23Å; L126-I164 HydrophobicContact CD1-CG2 4.26Å; L126-I164 HydrophobicContact CD2-CD1 4.02Å; L126-I164 HydrophobicContact CD2-CG1 4.46Å; L126-I164 HydrophobicContact CG-CG1 4.46Å; L126-F185 HydrophobicContact CB-CB 4.38Å; L126-F185 HydrophobicContact CB-CD1 4.17Å; L126-F185 HydrophobicContact CB-CD2 3.69Å; L126-F185 HydrophobicContact CB-CE1 4.4Å; L126-F185 HydrophobicContact CB-CE2 3.95Å; L126-F185 HydrophobicContact CB-CG 3.8Å; L126-F185 HydrophobicContact CB-CZ 4.29Å; L126-F185 HydrophobicContact CD1-CB 4.48Å; L126-F185 HydrophobicContact CD2-CB 4.47Å; L126-F185 HydrophobicContact CD2-CD1 4.12Å; L126-F185 HydrophobicContact CD2-CG 4.27Å
127V93.5Very high79.9Confident0 Ų040.5 Ų40.50%021%0.208CC..EExtended strand (participates in β ladder)trans-107.2133.5172.1-1750000109.1F92 Y94 L105 V125 L151 I154 E162 E163 I164F92-V127 CarbonylContact O-C 3.26Å; F92-V127 WeakPolarHBondContact O-CA 3.42Å; Y94-V127 HydrophobicContact CD1-CG1 4.02Å; Y94-V127 HydrophobicContact CE1-CG1 3.79Å; L105-V127 HydrophobicContact CD2-CG1 4.05Å; V125-V127 HydrophobicContact CG1-CG2 4.47Å; V127-L151 HydrophobicContact CB-CD2 4.42Å; V127-L151 HydrophobicContact CG2-CD2 4.01Å; V127-I154 HydrophobicContact CG2-CD1 3.38Å; V127-E162 PolarHBondContact N-O 3.06Å; V127-E163 HydrophobicContact CB-CB 4.27Å; V127-E163 HydrophobicContact CB-CG 4.19Å; V127-E163 HydrophobicContact CG1-CG 4.2Å; V127-E163 CarbonylContact O-C 3.57Å; V127-E163 WeakPolarHBondContact O-CA 2.89Å; V127-I164 PolarHBondContact O-N 3.09Å
128V94.2Very high79.7Confident0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-127.2111.3-175.3-175.30000110.2F18 I91 F92 V93 Y94 L126 T130 I164 L166F18-V128 HydrophobicContact CD2-CG1 4.27Å; F18-V128 HydrophobicContact CE1-CG2 4.5Å; F18-V128 HydrophobicContact CE2-CG2 4.46Å; F18-V128 HydrophobicContact CG-CG1 4.45Å; F18-V128 HydrophobicContact CZ-CG2 4.25Å; I91-V128 HydrophobicContact CG2-CB 4.47Å; I91-V128 HydrophobicContact CG2-CG2 3.52Å; F92-V128 PolarHBondContact O-N 3.21Å; V93-V128 WeakPolarHBondContact CA-O 3.32Å; V93-V128 HydrophobicContact CG2-CB 4.27Å; Y94-V128 WeakPolarHBondContact CD1-O 3.41Å; Y94-V128 PolarHBondContact N-O 3.47Å; L126-V128 HydrophobicContact CD2-CG2 3.97Å; L126-V128 HydrophobicContact CG-CG2 4.02Å; V128-T130 HydrophobicContact CG1-CG2 4.09Å; V128-I164 CarbonylContact C-O 3.47Å; V128-I164 WeakPolarHBondContact CA-O 3.49Å; V128-I164 HydrophobicContact CB-CG1 4.34Å; V128-I164 HydrophobicContact CG1-CG1 4.27Å; V128-I164 HydrophobicContact CG2-CD1 4.02Å; V128-I164 HydrophobicContact CG2-CG1 3.83Å; V128-L166 HydrophobicContact CG1-CD1 3.46Å; V128-L166 VanDerWaalsContact CG1-CD1 3.46Å; V128-L166 HydrophobicContact CG1-CG 3.92Å
129G92.7Very high79.6Confident0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-89.6115.2169.800000111.1Y94 I164 T165 L166Y94-G129 VanDerWaalsContact CZ-CA 3.47Å; Y94-G129 WeakPolarHBondContact O-CA 3.44Å; G129-I164 PolarHBondContact N-O 3.18Å; G129-T165 CarbonylContact O-C 3.59Å; G129-T165 VanDerWaalsContact O-CA 3.23Å; G129-T165 WeakPolarHBondContact O-CA 3.17Å; G129-L166 PolarHBondContact O-N 2.88Å
130T92.8Very high78.8Confident2 Ų251.1 Ų51.11%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-100.9168.7-178.168.80000112.5A13 V93 Y94 T96 V128 L166A13-T130 PolarHBondContact O-OG1 3.5Å; V93-T130 HydrophobicContact CG1-CG2 3.57Å; Y94-T130 PolarHBondContact O-N 2.82Å; Y94-T130 PolarHBondContact O-OG1 3.43Å; T96-T130 PolarHBondContact N-O 3.27Å; T96-T130 PolarHBondContact OG1-O 3.12Å; V128-T130 HydrophobicContact CG1-CG2 4.09Å; T130-L166 CarbonylContact C-O 3.6Å
131K90.6Very high78.3Confident45 Ų4562 Ų6220%0.19629%0.288CS..  trans66.230.8175.8-40-165.4-170.5177.40114Q12 S95 T96 L97 D133 L134 M135 L166Q12-K131 WeakPolarHBondContact O-CE 3.49Å; Q12-K131 PolarHBondContact O-NZ 2.85Å; S95-K131 WeakPolarHBondContact OG-CD 3.34Å; T96-K131 PolarHBondContact OG1-O 3.4Å; L97-K131 HydrophobicContact CD1-CB 3.98Å; L97-K131 HydrophobicContact CD1-CD 3.89Å; L97-K131 HydrophobicContact CG-CB 4.03Å; L97-K131 HydrophobicContact CG-CD 4.49Å; K131-D133 WeakPolarHBondContact CA-OD1 3.4Å; K131-D133 PolarHBondContact O-N 2.99Å; K131-L134 HydrophobicContact CB-CD1 4.33Å; K131-L134 HydrophobicContact CD-CD1 4.46Å; K131-L134 PolarHBondContact O-N 3.49Å; K131-L134 VanDerWaalsContact O-N 3.12Å; K131-M135 PolarHBondContact O-N 2.8Å; K131-L166 PolarHBondContact N-O 2.84Å; K131-L166 VanDerWaalsContact N-O 3.11Å
132V88.6Confident77.6Confident15 Ų1562.3 Ų62.39%0.09130%0.295CS..Hα-helixtrans-67-25.4-178.6-55.10000113.3T96 L134 M135 Y136 T165 L166T96-V132 HydrophobicContact CG2-CG1 3.8Å; V132-L134 PolarHBondContact O-N 3.34Å; V132-M135 WeakPolarHBondContact O-CB 3.45Å; V132-M135 PolarHBondContact O-N 3.14Å; V132-Y136 WeakPolarHBondContact O-CD2 3.37Å; V132-T165 HydrophobicContact CG1-CG2 4.2Å; V132-L166 WeakPolarHBondContact CG2-O 3.39Å; V132-L166 PolarHBondContact N-O 2.79Å
133D86Confident76.2Confident18 Ų1871.6 Ų71.610%0.09633%0.328CS..Hα-helixtrans-57.1-38.4170.650.6-62.6000112.4K131 N137 S167 N168 Q169K131-D133 WeakPolarHBondContact CA-OD1 3.4Å; K131-D133 PolarHBondContact O-N 2.99Å; D133-N137 PolarHBondContact O-ND2 2.71Å; D133-S167 WeakPolarHBondContact CB-OG 3.38Å; D133-S167 WeakPolarHBondContact OD1-CA 3.34Å; D133-N168 PolarHBondContact OD1-N 3.31Å; D133-Q169 HydrophobicContact CB-CG 4.29Å
134L85.5Confident74.6Confident66 Ų6672.5 Ų72.535%0.34633%0.334SS..Hα-helixtrans-78.8-22179.9-61.4-177.4000112.6L97 K131 V132L97-L134 HydrophobicContact CD1-CB 3.7Å; L97-L134 HydrophobicContact CD1-CD1 3.69Å; L97-L134 HydrophobicContact CD1-CG 4.33Å; L97-L134 HydrophobicContact CD2-CB 3.73Å; L97-L134 HydrophobicContact CG-CB 4.26Å; K131-L134 HydrophobicContact CB-CD1 4.33Å; K131-L134 HydrophobicContact CD-CD1 4.46Å; K131-L134 PolarHBondContact O-N 3.49Å; K131-L134 VanDerWaalsContact O-N 3.12Å; V132-L134 PolarHBondContact O-N 3.34Å
135M77.4Confident72.7Confident26 Ų2681.5 Ų81.513%0.12837%0.367CS..Hα-helixtrans-70.7-42.5-179.9-172.4-170.371.300111.7L97 K131 V132 N137 W138 V144L97-M135 HydrophobicContact CD2-CB 4.14Å; K131-M135 PolarHBondContact O-N 2.8Å; V132-M135 WeakPolarHBondContact O-CB 3.45Å; V132-M135 PolarHBondContact O-N 3.14Å; M135-N137 VanDerWaalsContact C-N 3.26Å; M135-N137 PolarHBondContact O-N 3.4Å; M135-W138 PolarHBondContact O-N 2.83Å; M135-V144 HydrophobicContact CE-CG2 3.62Å; M135-V144 HydrophobicContact SD-CG2 3.95Å
136Y69.2Low70.8Confident171 Ų17186.6 Ų86.667%0.67139%0.391SS*.Hα-helixtrans-66.1-29-179.9-67.3-67.4000112.9V132 W138V132-Y136 WeakPolarHBondContact O-CD2 3.37Å; Y136-W138 PolarHBondContact O-N 2.93Å
137N64.1Low69.2Low120 Ų12087.2 Ų87.264%0.64239%0.393SS*.THydrogen-bonded Turntrans-69.3-15.6179.5-69.7-23.7000113.9D133 M135 G139D133-N137 PolarHBondContact O-ND2 2.71Å; M135-N137 VanDerWaalsContact C-N 3.26Å; M135-N137 PolarHBondContact O-N 3.4Å; N137-G139 VanDerWaalsContact C-N 3.31Å; N137-G139 PolarHBondContact O-N 2.86Å
138W58.1Low67.8Low180 Ų18093 Ų9368%0.68242%0.424SS*.THydrogen-bonded Turntrans-85.410.4-178.9-85.7-30.8000116L97 M135 Y136 R140L97-W138 HydrophobicContact CB-CH2 4.39Å; L97-W138 HydrophobicContact CB-CZ3 3.94Å; L97-W138 HydrophobicContact CD1-CH2 4.5Å; L97-W138 HydrophobicContact CD1-CZ3 4.48Å; L97-W138 HydrophobicContact CD2-CE3 4.09Å; L97-W138 HydrophobicContact CD2-CH2 4.45Å; L97-W138 HydrophobicContact CD2-CZ3 3.67Å; L97-W138 HydrophobicContact CG-CZ3 4.22Å; M135-W138 PolarHBondContact O-N 2.83Å; Y136-W138 PolarHBondContact O-N 2.93Å; W138-R140 PolarHBondContact O-N 2.87Å
139G52.7Low66.4Low67 Ų6794.3 Ų94.369%0.69144%0.438SS*.  trans72.3-31.8153.300000118.2N137N137-G139 VanDerWaalsContact C-N 3.31Å; N137-G139 PolarHBondContact O-N 2.86Å
140R44.9Very low65.4Low229 Ų22994.3 Ų94.386%0.86444%0.438SS*.SBendtrans-158.4141.1171.9-62.9-171-171.2-176.12.9107.2W138W138-R140 PolarHBondContact O-N 2.87Å
141W44.5Very low64.4Low260 Ų26095.6 Ų95.699%0.98544%0.444SS*.  trans80.396.9-178.9-76.333000116.9
142G49.3Very low63.5Low45 Ų45100.1 Ų100.146%0.46447%0.466SS..  trans15667.6159.300000110.5V144G142-V144 PolarHBondContact O-N 3.45Å; G142-V144 VanDerWaalsContact O-N 3.09Å
143R49.1Very low62.7Low236 Ų236102.3 Ų102.389%0.89147%0.473SS*.  trans-46.1125.9142.6-96.5-169.3-82.4-174.5-5.7104.2R145R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 PolarHBondContact O-N 3.1Å
144V52.2Low62.4Low34 Ų34101.5 Ų101.521%0.20647%0.468CS..  trans-44.8111.1165.5178.20000103.7M135 G142 H146M135-V144 HydrophobicContact CE-CG2 3.62Å; M135-V144 HydrophobicContact SD-CG2 3.95Å; G142-V144 PolarHBondContact O-N 3.45Å; G142-V144 VanDerWaalsContact O-N 3.09Å; V144-H146 PolarHBondContact O-N 3.06Å
145R53.8Low61.9Low197 Ų197101.8 Ų101.874%0.74347%0.47SS*.  trans-70.490.7173.2-82.5-163.4-99.7-148.8-3.6102.5R143 F147R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 PolarHBondContact O-N 3.1Å; R145-F147 PolarHBondContact O-N 3.33Å; R145-F147 VanDerWaalsContact O-N 3.15Å
146H52.9Low61.8Low107 Ų107106.1 Ų106.150%0.49549%0.49SS..  trans-49126.8164.2-74.5-69.7000105.4V144 D148 E163V144-H146 PolarHBondContact O-N 3.06Å; H146-D148 PolarHBondContact O-N 3.38Å; H146-E163 IonicContact ND1-OE2 3.62Å; H146-E163 PolarHBondContact ND1-OE2 2.6Å
147F61.4Low62.4Low13 Ų1398.7 Ų98.76%0.05746%0.463CS..  trans-77.364.8-176.6-65.5-49.9000108.7Y94 A101 F102 L105 R145 G149 I150 L151Y94-F147 HydrophobicContact CD1-CD2 4.4Å; Y94-F147 AromaticContact CD1-CE2 3.63Å; Y94-F147 HydrophobicContact CD1-CE2 3.63Å; Y94-F147 AromaticContact CD2-CE2 3.57Å; Y94-F147 HydrophobicContact CD2-CE2 3.57Å; Y94-F147 AromaticContact CD2-CZ 3.76Å; Y94-F147 HydrophobicContact CD2-CZ 3.76Å; Y94-F147 AromaticContact CE1-CD2 3.96Å; Y94-F147 HydrophobicContact CE1-CD2 3.96Å; Y94-F147 AromaticContact CE1-CE2 3.46Å; Y94-F147 HydrophobicContact CE1-CE2 3.46Å; Y94-F147 VanDerWaalsContact CE1-CE2 3.46Å; Y94-F147 HydrophobicContact CE2-CD2 4.41Å; Y94-F147 AromaticContact CE2-CE2 3.4Å; Y94-F147 HydrophobicContact CE2-CE2 3.4Å; Y94-F147 VanDerWaalsContact CE2-CE2 3.4Å; Y94-F147 AromaticContact CE2-CZ 3.72Å; Y94-F147 HydrophobicContact CE2-CZ 3.72Å; Y94-F147 AromaticContact CG-CE2 3.66Å; Y94-F147 HydrophobicContact CG-CE2 3.66Å; Y94-F147 HydrophobicContact CG-CZ 4.18Å; Y94-F147 AromaticContact CZ-CD2 3.96Å; Y94-F147 AromaticContact CZ-CE2 3.34Å; A101-F147 HydrophobicContact CB-CE1 4.39Å; A101-F147 HydrophobicContact CB-CZ 3.67Å; F102-F147 HydrophobicContact CB-CD1 3.8Å; F102-F147 HydrophobicContact CB-CE1 3.45Å; F102-F147 VanDerWaalsContact CB-CE1 3.45Å; F102-F147 HydrophobicContact CB-CZ 4.36Å; F102-F147 HydrophobicContact CD2-CB 4.2Å; F102-F147 AromaticContact CD2-CD1 3.42Å; F102-F147 HydrophobicContact CD2-CD1 3.42Å; F102-F147 VanDerWaalsContact CD2-CD1 3.42Å; F102-F147 HydrophobicContact CD2-CE1 4.03Å; F102-F147 HydrophobicContact CD2-CG 4.14Å; F102-F147 HydrophobicContact CE2-CB 4.43Å; F102-F147 HydrophobicContact CE2-CD1 4.4Å; F102-F147 HydrophobicContact CG-CD1 4.05Å; F102-F147 HydrophobicContact CG-CE1 4.21Å; F102-F147 VanDerWaalsContact N-CE1 3.31Å; L105-F147 HydrophobicContact CD2-CD2 3.45Å; L105-F147 VanDerWaalsContact CD2-CD2 3.45Å; L105-F147 HydrophobicContact CD2-CE2 3.46Å; L105-F147 VanDerWaalsContact CD2-CE2 3.46Å; L105-F147 HydrophobicContact CD2-CG 4.4Å; L105-F147 HydrophobicContact CD2-CZ 4.41Å; R145-F147 PolarHBondContact O-N 3.33Å; R145-F147 VanDerWaalsContact O-N 3.15Å; F147-G149 PolarHBondContact O-N 3.45Å; F147-I150 HydrophobicContact CB-CB 3.75Å; F147-I150 HydrophobicContact CB-CD1 3.95Å; F147-I150 HydrophobicContact CB-CG1 3.99Å; F147-I150 HydrophobicContact CD1-CD1 4.13Å; F147-I150 HydrophobicContact CD2-CD1 4.24Å; F147-I150 HydrophobicContact CG-CD1 3.88Å; F147-I150 HydrophobicContact CG-CG1 4.46Å; F147-I150 PolarHBondContact O-N 2.78Å; F147-L151 PolarHBondContact O-N 2.95Å
148D63Low63.4Low122 Ų12293.4 Ų93.465%0.65243%0.434SS*.Hα-helixtrans-50-41.8-171.9-64.8-24.6000110.8H146 E152H146-D148 PolarHBondContact O-N 3.38Å; D148-E152 VanDerWaalsContact O-CB 3.24Å; D148-E152 WeakPolarHBondContact O-CB 3.41Å; D148-E152 PolarHBondContact O-N 2.67Å
149G66.4Low64.7Low27 Ų2787.7 Ų87.728%0.27842%0.42SS..Hα-helixtrans-76.1-23176.400000116.7F147 R153F147-G149 PolarHBondContact O-N 3.45Å; G149-R153 WeakPolarHBondContact O-CG 3.05Å
150I70.8Confident66.5Low1 Ų190.9 Ų90.91%0.00542%0.416CS..Hα-helixtrans-85-44.1174.5-57.9176.2000109.6F102 L105 L106 V109 F147 E152 R153 I154F102-I150 HydrophobicContact CB-CD1 4.2Å; F102-I150 HydrophobicContact CD1-CD1 4.06Å; F102-I150 HydrophobicContact CD1-CG1 4.4Å; F102-I150 HydrophobicContact CD2-CD1 3.52Å; F102-I150 HydrophobicContact CD2-CG1 3.73Å; F102-I150 HydrophobicContact CE1-CD1 4.28Å; F102-I150 HydrophobicContact CE1-CG1 4.12Å; F102-I150 HydrophobicContact CE2-CD1 3.78Å; F102-I150 HydrophobicContact CE2-CG1 3.41Å; F102-I150 VanDerWaalsContact CE2-CG1 3.41Å; F102-I150 HydrophobicContact CG-CD1 3.65Å; F102-I150 HydrophobicContact CG-CG1 4.2Å; F102-I150 HydrophobicContact CZ-CD1 4.13Å; F102-I150 HydrophobicContact CZ-CG1 3.6Å; F102-I150 WeakPolarHBondContact O-CD1 3.44Å; L105-I150 HydrophobicContact CB-CD1 3.9Å; L105-I150 HydrophobicContact CD2-CD1 3.88Å; L105-I150 HydrophobicContact CD2-CG2 3.96Å; L105-I150 HydrophobicContact CG-CD1 4.07Å; L105-I150 HydrophobicContact CG-CG2 4.13Å; L106-I150 HydrophobicContact CB-CD1 4.32Å; V109-I150 HydrophobicContact CG2-CG2 4.15Å; F147-I150 HydrophobicContact CB-CB 3.75Å; F147-I150 HydrophobicContact CB-CD1 3.95Å; F147-I150 HydrophobicContact CB-CG1 3.99Å; F147-I150 HydrophobicContact CD1-CD1 4.13Å; F147-I150 HydrophobicContact CD2-CD1 4.24Å; F147-I150 HydrophobicContact CG-CD1 3.88Å; F147-I150 HydrophobicContact CG-CG1 4.46Å; F147-I150 PolarHBondContact O-N 2.78Å; I150-E152 VanDerWaalsContact C-N 3.26Å; I150-E152 PolarHBondContact O-N 2.85Å; I150-R153 WeakPolarHBondContact O-CB 3.12Å; I150-R153 PolarHBondContact O-N 2.91Å; I150-I154 HydrophobicContact CG2-CD1 3.77Å; I150-I154 HydrophobicContact CG2-CG1 4.18Å; I150-I154 WeakPolarHBondContact O-CG1 3.37Å; I150-I154 PolarHBondContact O-N 2.88Å
151L71.2Confident68.6Low28 Ų2880.6 Ų80.615%0.14738%0.38CS..Hα-helixtrans-58.4-42.4173.8-70.9178.9000109.9V127 F147 R153 I154 L155 E163V127-L151 HydrophobicContact CB-CD2 4.42Å; V127-L151 HydrophobicContact CG2-CD2 4.01Å; F147-L151 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 3.43Å; L151-I154 CarbonylContact O-C 3.58Å; L151-I154 PolarHBondContact O-N 3.08Å; L151-L155 HydrophobicContact CB-CD1 4.44Å; L151-L155 WeakPolarHBondContact O-CA 3.47Å; L151-L155 WeakPolarHBondContact O-CB 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 2.58Å; L151-E163 HydrophobicContact CD1-CB 4.31Å; L151-E163 HydrophobicContact CD2-CB 4.09Å
152E73.2Confident70.8Confident141 Ų14170.6 Ų70.666%0.65934%0.344SS*.Hα-helixtrans-56.2-42.3172.9-173.4-178-17300112.8D148 I150 L155 H156D148-E152 VanDerWaalsContact O-CB 3.24Å; D148-E152 WeakPolarHBondContact O-CB 3.41Å; D148-E152 PolarHBondContact O-N 2.67Å; I150-E152 VanDerWaalsContact C-N 3.26Å; I150-E152 PolarHBondContact O-N 2.85Å; E152-L155 PolarHBondContact O-N 2.85Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.77Å
153R70.3Confident72.7Confident61 Ų6170.4 Ų70.423%0.2333%0.331CS..Hα-helixtrans-66.7-43.6176.6-73.2173.1176.5-82.8-7.8112.7L106 G149 I150 L151 H156 C157 W212L106-R153 VanDerWaalsContact CD1-CD 3.46Å; G149-R153 WeakPolarHBondContact O-CG 3.05Å; I150-R153 WeakPolarHBondContact O-CB 3.12Å; I150-R153 PolarHBondContact O-N 2.91Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 3.43Å; R153-H156 WeakPolarHBondContact O-CB 3.37Å; R153-H156 PolarHBondContact O-N 2.8Å; R153-C157 PolarHBondContact O-N 3.21Å; R153-C157 PolarHBondContact O-SG 2.67Å; R153-W212 VanDerWaalsContact NH2-CG 3.26Å
154I79.7Confident74.8Confident0 Ų059.7 Ų59.70%029%0.291CS..Hα-helixtrans-65.7-44.7177.5-68.2174.8000109.1F92 V109 V125 V127 I150 L151 H156 C157 D158 A161F92-I154 HydrophobicContact CD2-CD1 4.18Å; V109-I154 HydrophobicContact CG1-CG1 4.25Å; V109-I154 HydrophobicContact CG2-CD1 3.9Å; V109-I154 HydrophobicContact CG2-CG1 4.06Å; V125-I154 HydrophobicContact CB-CG2 3.71Å; V125-I154 HydrophobicContact CG1-CD1 4.38Å; V125-I154 HydrophobicContact CG1-CG2 3.5Å; V125-I154 VanDerWaalsContact CG1-CG2 3.5Å; V125-I154 HydrophobicContact CG2-CG2 4.16Å; V127-I154 HydrophobicContact CG2-CD1 3.38Å; I150-I154 HydrophobicContact CG2-CD1 3.77Å; I150-I154 HydrophobicContact CG2-CG1 4.18Å; I150-I154 WeakPolarHBondContact O-CG1 3.37Å; I150-I154 PolarHBondContact O-N 2.88Å; L151-I154 CarbonylContact O-C 3.58Å; L151-I154 PolarHBondContact O-N 3.08Å; I154-H156 VanDerWaalsContact C-N 3.25Å; I154-H156 PolarHBondContact O-N 3.15Å; I154-C157 CarbonylContact O-C 3.59Å; I154-C157 WeakPolarHBondContact O-CA 3.38Å; I154-C157 WeakPolarHBondContact O-CB 3.49Å; I154-C157 PolarHBondContact O-N 2.66Å; I154-D158 PolarHBondContact O-N 3.24Å; I154-A161 HydrophobicContact CG2-CB 3.38Å
155L75Confident76.6Confident72 Ų7260.8 Ų60.838%0.37730%0.298SS..Hα-helixtrans-60.7-32.9175.8-72.2170.1000112.2L151 E152 C157 D158 P159 A161L151-L155 HydrophobicContact CB-CD1 4.44Å; L151-L155 WeakPolarHBondContact O-CA 3.47Å; L151-L155 WeakPolarHBondContact O-CB 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 2.58Å; E152-L155 PolarHBondContact O-N 2.85Å; L155-C157 VanDerWaalsContact C-N 3.28Å; L155-C157 PolarHBondContact O-N 3.01Å; L155-D158 VanDerWaalsContact CA-O 3.24Å; L155-D158 WeakPolarHBondContact CA-O 3.41Å; L155-D158 CarbonylContact O-C 3.55Å; L155-D158 VanDerWaalsContact O-C 3.26Å; L155-P159 WeakPolarHBondContact O-CA 3.48Å; L155-P159 VanDerWaalsContact O-N 3.07Å; L155-A161 HydrophobicContact CD2-CB 4.2Å
156H77Confident78.4Confident117 Ų11752 Ų5254%0.54227%0.266SS..Hα-helixtrans-65-34.1170.9-171.2-57.3000112E152 R153 I154 Y205E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.77Å; R153-H156 WeakPolarHBondContact O-CB 3.37Å; R153-H156 PolarHBondContact O-N 2.8Å; I154-H156 VanDerWaalsContact C-N 3.25Å; I154-H156 PolarHBondContact O-N 3.15Å; H156-Y205 AromaticContact CE1-CD2 3.17Å; H156-Y205 WeakPolarHBondContact CE1-CD2 3.42Å; H156-Y205 AromaticContact CE1-CE2 2.96Å; H156-Y205 WeakPolarHBondContact CE1-CE2 3.16Å; H156-Y205 AromaticContact CE1-CZ 3.64Å; H156-Y205 AromaticContact CG-CE2 3.74Å; H156-Y205 AromaticContact ND1-CD2 3.72Å; H156-Y205 AromaticContact ND1-CE2 3.01Å; H156-Y205 WeakPolarHBondContact ND1-CE2 3.44Å; H156-Y205 AromaticContact ND1-CZ 3.25Å; H156-Y205 VanDerWaalsContact ND1-CZ 3.25Å; H156-Y205 PolarHBondContact ND1-OH 3.14Å; H156-Y205 AromaticContact NE2-CD2 3.79Å; H156-Y205 AromaticContact NE2-CE2 3.61Å
157C80Confident80.1Confident16 Ų1648.3 Ų48.311%0.10825%0.252CS..Hα-helixtrans-81.9-41.6177.6-57.60000112.1L113 Q122 R153 I154 L155 Y205L113-C157 HydrophobicContact CD1-CB 4.23Å; L113-C157 WeakPolarHBondContact CD1-SG 3.46Å; Q122-C157 WeakPolarHBondContact CG-O 3.46Å; Q122-C157 PolarHBondContact NE2-O 3.15Å; R153-C157 PolarHBondContact O-N 3.21Å; R153-C157 PolarHBondContact O-SG 2.67Å; I154-C157 CarbonylContact O-C 3.59Å; I154-C157 WeakPolarHBondContact O-CA 3.38Å; I154-C157 WeakPolarHBondContact O-CB 3.49Å; I154-C157 PolarHBondContact O-N 2.66Å; L155-C157 VanDerWaalsContact C-N 3.28Å; L155-C157 PolarHBondContact O-N 3.01Å; C157-Y205 PolarHBondContact SG-OH 3.11Å
158D86.2Confident81Confident8 Ų851.7 Ų51.74%0.04327%0.271CS..  trans-136.995.2-178.317319.5000109M123 P124 V125 I154 L155 F160 A161 R188M123-D158 WeakPolarHBondContact O-CB 3.31Å; P124-D158 WeakPolarHBondContact CA-OD2 3.25Å; V125-D158 HydrophobicContact CB-CB 4.39Å; V125-D158 HydrophobicContact CG2-CB 4.21Å; V125-D158 PolarHBondContact N-OD2 3.16Å; I154-D158 PolarHBondContact O-N 3.24Å; L155-D158 VanDerWaalsContact CA-O 3.24Å; L155-D158 WeakPolarHBondContact CA-O 3.41Å; L155-D158 CarbonylContact O-C 3.55Å; L155-D158 VanDerWaalsContact O-C 3.26Å; D158-F160 PolarHBondContact O-N 2.92Å; D158-F160 PolarHBondContact OD1-N 2.85Å; D158-F160 VanDerWaalsContact OD1-N 3.12Å; D158-A161 HydrophobicContact CB-CB 4.22Å; D158-A161 VanDerWaalsContact O-CB 3.31Å; D158-A161 WeakPolarHBondContact O-CB 2.91Å; D158-A161 PolarHBondContact O-N 2.79Å; D158-A161 WeakPolarHBondContact OD2-CA 3.07Å; D158-A161 PolarHBondContact OD2-N 2.89Å; D158-R188 IonicContact OD1-NH1 3.62Å; D158-R188 PolarHBondContact OD1-NH1 3.39Å; D158-R188 IonicContact OD2-CZ 2.85Å; D158-R188 IonicContact OD2-NH1 2.77Å; D158-R188 PolarHBondContact OD2-NH1 3.42Å; D158-R188 IonicContact OD2-NH2 2.6Å
159P85.5Confident81.9Confident60 Ų6052.6 Ų52.639%0.3927%0.271SS..THydrogen-bonded Turntrans-65.2-7.8-176.527.3-35.2000113.9L155L155-P159 WeakPolarHBondContact O-CA 3.48Å; L155-P159 VanDerWaalsContact O-N 3.07Å
160F89.4Confident82.7Confident135 Ų13556 Ų5659%0.59229%0.286SS*.THydrogen-bonded Turntrans-108.312.3178.2-52.3-72.5000112.3D158 E162 R188D158-F160 PolarHBondContact O-N 2.92Å; D158-F160 PolarHBondContact OD1-N 2.85Å; D158-F160 VanDerWaalsContact OD1-N 3.12Å; F160-E162 PolarHBondContact O-N 2.68Å; F160-R188 PolarHBondContact O-NH1 3.44Å; F160-R188 PolarHBondContact O-NH2 2.85Å
161A89.5Confident83.4Confident13 Ų1360.8 Ų60.811%0.10732%0.317CS..  trans-62135.817700000111.3V125 I154 L155 D158V125-A161 HydrophobicContact CB-CB 4.17Å; V125-A161 WeakPolarHBondContact O-CA 3.49Å; I154-A161 HydrophobicContact CG2-CB 3.38Å; L155-A161 HydrophobicContact CD2-CB 4.2Å; D158-A161 HydrophobicContact CB-CB 4.22Å; D158-A161 VanDerWaalsContact O-CB 3.31Å; D158-A161 WeakPolarHBondContact O-CB 2.91Å; D158-A161 PolarHBondContact O-N 2.79Å; D158-A161 WeakPolarHBondContact OD2-CA 3.07Å; D158-A161 PolarHBondContact OD2-N 2.89Å
162E90.2Very high84.2Confident50 Ų5060.2 Ų60.223%0.23431%0.314CS..EExtended strand (participates in β ladder)trans-113.7152.1178.1-66.3-174.2-126.400110.2L126 V127 F160 A181 R184L126-E162 HydrophobicContact CD1-CB 4.2Å; V127-E162 PolarHBondContact N-O 3.06Å; F160-E162 PolarHBondContact O-N 2.68Å; E162-A181 WeakPolarHBondContact OE2-CB 3.18Å; E162-R184 IonicContact OE1-CZ 3.54Å; E162-R184 IonicContact OE1-NE 2.71Å; E162-R184 PolarHBondContact OE1-NE 3.4Å; E162-R184 IonicContact OE1-NH2 2.85Å; E162-R184 IonicContact OE2-CZ 2.79Å; E162-R184 IonicContact OE2-NE 3.59Å; E162-R184 IonicContact OE2-NH2 2.79Å; E162-R184 PolarHBondContact OE2-NH2 3.14Å
163E90.4Very high85Confident41 Ų4156.4 Ų56.419%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-109.7129.8167.2-175.7176.4-152.900109.3Y94 V127 H146 L151Y94-E163 WeakPolarHBondContact CE1-OE1 3.33Å; Y94-E163 PolarHBondContact OH-OE1 3.22Å; V127-E163 HydrophobicContact CB-CB 4.27Å; V127-E163 HydrophobicContact CB-CG 4.19Å; V127-E163 HydrophobicContact CG1-CG 4.2Å; V127-E163 CarbonylContact O-C 3.57Å; V127-E163 WeakPolarHBondContact O-CA 2.89Å; H146-E163 IonicContact ND1-OE2 3.62Å; H146-E163 PolarHBondContact ND1-OE2 2.6Å; L151-E163 HydrophobicContact CD1-CB 4.31Å; L151-E163 HydrophobicContact CD2-CB 4.09Å
164I92.1Very high85.9Confident10 Ų1059.5 Ų59.55%0.05133%0.328CS..EExtended strand (participates in β ladder)trans-119.6152.4170.562.4170.6000110.3L126 V127 V128 G129 L166 T178 A181L126-I164 HydrophobicContact CD1-CD1 4.45Å; L126-I164 HydrophobicContact CD1-CG1 4.23Å; L126-I164 HydrophobicContact CD1-CG2 4.26Å; L126-I164 HydrophobicContact CD2-CD1 4.02Å; L126-I164 HydrophobicContact CD2-CG1 4.46Å; L126-I164 HydrophobicContact CG-CG1 4.46Å; V127-I164 PolarHBondContact O-N 3.09Å; V128-I164 CarbonylContact C-O 3.47Å; V128-I164 WeakPolarHBondContact CA-O 3.49Å; V128-I164 HydrophobicContact CB-CG1 4.34Å; V128-I164 HydrophobicContact CG1-CG1 4.27Å; V128-I164 HydrophobicContact CG2-CD1 4.02Å; V128-I164 HydrophobicContact CG2-CG1 3.83Å; G129-I164 PolarHBondContact N-O 3.18Å; I164-L166 HydrophobicContact CD1-CD2 4.39Å; I164-T178 HydrophobicContact CB-CG2 4.37Å; I164-T178 HydrophobicContact CD1-CG2 4.03Å; I164-A181 HydrophobicContact CG2-CB 3.52Å
165T90.5Very high86.4Confident57 Ų5762 Ų6235%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-118.6138.517454.80000111G129 V132G129-T165 CarbonylContact O-C 3.59Å; G129-T165 VanDerWaalsContact O-CA 3.23Å; G129-T165 WeakPolarHBondContact O-CA 3.17Å; V132-T165 HydrophobicContact CG1-CG2 4.2Å
166L91.6Very high87.2Confident14 Ų1459.8 Ų59.87%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-125.9136.8-174.2-61-180000112F18 V128 G129 T130 K131 V132 I164 I172 T178F18-L166 HydrophobicContact CB-CD1 4.41Å; F18-L166 HydrophobicContact CD2-CD1 3.22Å; F18-L166 HydrophobicContact CE2-CD1 3.77Å; F18-L166 HydrophobicContact CG-CD1 4.14Å; V128-L166 HydrophobicContact CG1-CD1 3.46Å; V128-L166 VanDerWaalsContact CG1-CD1 3.46Å; V128-L166 HydrophobicContact CG1-CG 3.92Å; G129-L166 PolarHBondContact O-N 2.88Å; T130-L166 CarbonylContact C-O 3.6Å; K131-L166 PolarHBondContact N-O 2.84Å; K131-L166 VanDerWaalsContact N-O 3.11Å; V132-L166 WeakPolarHBondContact CG2-O 3.39Å; V132-L166 PolarHBondContact N-O 2.79Å; I164-L166 HydrophobicContact CD1-CD2 4.39Å; L166-I172 HydrophobicContact CD1-CD1 4.47Å; L166-I172 HydrophobicContact CD2-CD1 3.79Å; L166-I172 HydrophobicContact CD2-CG1 3.89Å; L166-T178 HydrophobicContact CD2-CG2 3.4Å
167S88.6Confident87.9Confident29 Ų2959.5 Ų59.520%0.20335%0.353CS..  trans-88.9142.1167.11680000109.3D133 Q169 V170D133-S167 WeakPolarHBondContact CB-OG 3.38Å; D133-S167 WeakPolarHBondContact OD1-CA 3.34Å; S167-Q169 VanDerWaalsContact C-N 3.27Å; S167-Q169 PolarHBondContact OG-N 3Å; S167-V170 PolarHBondContact OG-N 3.26Å
168N80.4Confident88.5Confident84 Ų8460.3 Ų60.345%0.44936%0.357SS..SBendtrans-76.6-18.2170.7-71.7-14.5000112.6D133D133-N168 PolarHBondContact OD1-N 3.31Å
169Q81.3Confident88.8Confident140 Ų14061.9 Ų61.965%0.65436%0.364SS*.SBendtrans-96.3-20.6-175.6-64.2-178.1-9.300113.1D133 S167D133-Q169 HydrophobicContact CB-CG 4.29Å; S167-Q169 VanDerWaalsContact C-N 3.27Å; S167-Q169 PolarHBondContact OG-N 3Å
170V83.8Confident89.2Confident98 Ų9863.1 Ų63.159%0.59437%0.365SS*.SBendtrans-115.4114.6-174.5-176.10000109.2S167S167-V170 PolarHBondContact OG-N 3.26Å
171P85.7Confident89.4Confident102 Ų10256.9 Ų56.966%0.66234%0.338SS*.  trans-58152172.5-23.533.7000112A173P171-A173 PolarHBondContact O-N 3.05Å; P171-A173 VanDerWaalsContact O-N 3.11Å
172I88.6Confident89.7Confident17 Ų1756.3 Ų56.39%0.08733%0.334CS..  trans-69.1111.1175.5-58174.5000108.4L25 L166 T178 F179L25-I172 HydrophobicContact CD2-CB 4.26Å; L25-I172 HydrophobicContact CD2-CG2 4.04Å; L166-I172 HydrophobicContact CD1-CD1 4.47Å; L166-I172 HydrophobicContact CD2-CD1 3.79Å; L166-I172 HydrophobicContact CD2-CG1 3.89Å; I172-T178 HydrophobicContact CD1-CG2 4.25Å; I172-T178 HydrophobicContact CG1-CG2 4.28Å; I172-T178 HydrophobicContact CG2-CG2 4.05Å; I172-F179 HydrophobicContact CG2-CB 3.96Å
173A88.9Confident89.9Confident61 Ų6155.1 Ų55.150%0.50433%0.329SS..  trans-72.9138.1178.700000111.8P171 G175 S176 F179P171-A173 PolarHBondContact O-N 3.05Å; P171-A173 VanDerWaalsContact O-N 3.11Å; A173-G175 PolarHBondContact O-N 2.84Å; A173-S176 VanDerWaalsContact O-CB 3.22Å; A173-S176 WeakPolarHBondContact O-CB 3.15Å; A173-S176 PolarHBondContact O-N 2.95Å; A173-S176 VanDerWaalsContact O-N 3.11Å; A173-S176 PolarHBondContact O-OG 2.87Å; A173-F179 WeakPolarHBondContact O-CB 3.33Å
174N89.3Confident90Very high125 Ų12558.3 Ų58.367%0.66834%0.339SS*.THydrogen-bonded Turntrans-54.9133.9172.4-78.8-24.8000110.8L25 S176 F179L25-N174 VanDerWaalsContact CD1-OD1 3.26Å; L25-N174 WeakPolarHBondContact CD1-OD1 3.47Å; N174-S176 PolarHBondContact O-N 3.22Å; N174-F179 VanDerWaalsContact OD1-CE2 3.23Å; N174-F179 WeakPolarHBondContact OD1-CE2 3.35Å
175G89.8Confident90.2Very high53 Ų5357.9 Ų57.955%0.54634%0.337SS..THydrogen-bonded Turntrans75.3-3.2-178.900000115.7A173 F179A173-G175 PolarHBondContact O-N 2.84Å; G175-F179 VanDerWaalsContact N-CD1 3.27Å
176S91.7Very high90.4Very high26 Ų2655.3 Ų55.318%0.18232%0.321CS..SBendtrans-62.8156.8172.666.50000111.9A173 N174 T178 F179 M180A173-S176 VanDerWaalsContact O-CB 3.22Å; A173-S176 WeakPolarHBondContact O-CB 3.15Å; A173-S176 PolarHBondContact O-N 2.95Å; A173-S176 VanDerWaalsContact O-N 3.11Å; A173-S176 PolarHBondContact O-OG 2.87Å; N174-S176 PolarHBondContact O-N 3.22Å; S176-T178 PolarHBondContact O-N 3.49Å; S176-F179 WeakPolarHBondContact O-CA 3.08Å; S176-F179 WeakPolarHBondContact O-CB 3.49Å; S176-F179 PolarHBondContact O-N 3.42Å; S176-F179 WeakPolarHBondContact OG-CB 3.39Å; S176-F179 PolarHBondContact OG-N 3Å; S176-F179 VanDerWaalsContact OG-N 3.16Å; S176-M180 WeakPolarHBondContact O-CG 3.39Å; S176-M180 PolarHBondContact O-N 3.44Å
177P92.2Very high90.5Very high110 Ų11056.7 Ų56.771%0.71433%0.329SS*.Hα-helixtrans-52.6-40.2174.8-28.436.1000113.2M180 A181P177-M180 PolarHBondContact O-N 2.89Å; P177-A181 WeakPolarHBondContact O-CB 3.36Å; P177-A181 PolarHBondContact O-N 2.92Å
178T92.4Very high90.7Very high33 Ų3357.4 Ų57.420%0.20233%0.327CS..Hα-helixtrans-60.3-47.4174-58.20000112.2I164 L166 I172 S176 M180 A181 L182I164-T178 HydrophobicContact CB-CG2 4.37Å; I164-T178 HydrophobicContact CD1-CG2 4.03Å; L166-T178 HydrophobicContact CD2-CG2 3.4Å; I172-T178 HydrophobicContact CD1-CG2 4.25Å; I172-T178 HydrophobicContact CG1-CG2 4.28Å; I172-T178 HydrophobicContact CG2-CG2 4.05Å; S176-T178 PolarHBondContact O-N 3.49Å; T178-M180 VanDerWaalsContact C-N 3.31Å; T178-M180 PolarHBondContact O-N 3.46Å; T178-A181 PolarHBondContact O-N 3.3Å; T178-L182 WeakPolarHBondContact O-CB 3.2Å; T178-L182 PolarHBondContact O-N 3.23Å
179F92.9Very high91.3Very high42 Ų4253.4 Ų53.418%0.18431%0.305CS..Hα-helixtrans-58.8-45175.4174-90.2000111.2L25 I172 A173 N174 G175 S176 L182 N183L25-F179 HydrophobicContact CD1-CD2 3.84Å; L25-F179 HydrophobicContact CD1-CE2 3.91Å; L25-F179 HydrophobicContact CD2-CD2 3.63Å; L25-F179 HydrophobicContact CD2-CE2 4Å; L25-F179 HydrophobicContact CG-CD2 4.16Å; L25-F179 HydrophobicContact CG-CE2 4.15Å; I172-F179 HydrophobicContact CG2-CB 3.96Å; A173-F179 WeakPolarHBondContact O-CB 3.33Å; N174-F179 VanDerWaalsContact OD1-CE2 3.23Å; N174-F179 WeakPolarHBondContact OD1-CE2 3.35Å; G175-F179 VanDerWaalsContact N-CD1 3.27Å; S176-F179 WeakPolarHBondContact O-CA 3.08Å; S176-F179 WeakPolarHBondContact O-CB 3.49Å; S176-F179 PolarHBondContact O-N 3.42Å; S176-F179 WeakPolarHBondContact OG-CB 3.39Å; S176-F179 PolarHBondContact OG-N 3Å; S176-F179 VanDerWaalsContact OG-N 3.16Å; F179-L182 PolarHBondContact O-N 3.26Å; F179-N183 VanDerWaalsContact CD1-ND2 3.33Å; F179-N183 WeakPolarHBondContact CD1-ND2 3.32Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.13Å; F179-N183 WeakPolarHBondContact CE2-ND2 3.41Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.47Å; F179-N183 PolarHBondContact O-N 2.77Å; F179-N183 PolarHBondContact O-ND2 3.24Å
180M93.8Very high91.8Very high86 Ų8646.8 Ų46.842%0.42428%0.275SS..Hα-helixtrans-66.2-43.8-179.1-63.5-60.6-71.700112S176 P177 T178 L182 N183 R184S176-M180 WeakPolarHBondContact O-CG 3.39Å; S176-M180 PolarHBondContact O-N 3.44Å; P177-M180 PolarHBondContact O-N 2.89Å; T178-M180 VanDerWaalsContact C-N 3.31Å; T178-M180 PolarHBondContact O-N 3.46Å; M180-L182 VanDerWaalsContact C-N 3.34Å; M180-L182 PolarHBondContact O-N 3.16Å; M180-N183 PolarHBondContact O-N 3.1Å; M180-R184 WeakPolarHBondContact O-CG 3.4Å; M180-R184 PolarHBondContact O-N 3.07Å
181A94.1Very high92Very high3 Ų345.7 Ų45.73%0.02527%0.265CS..Hα-helixtrans-61.4-4217600000112.1E162 I164 P177 T178 R184 F185E162-A181 WeakPolarHBondContact OE2-CB 3.18Å; I164-A181 HydrophobicContact CG2-CB 3.52Å; P177-A181 WeakPolarHBondContact O-CB 3.36Å; P177-A181 PolarHBondContact O-N 2.92Å; T178-A181 PolarHBondContact O-N 3.3Å; A181-R184 PolarHBondContact O-N 2.8Å; A181-F185 WeakPolarHBondContact O-CB 3.44Å; A181-F185 PolarHBondContact O-N 2.95Å
182L95Very high92.1Very high1 Ų141.7 Ų41.71%0.00524%0.238CC..Hα-helixtrans-63.8-43.6176-177.5128.8000112F18 L22 T178 F179 M180 F185 L186F18-L182 HydrophobicContact CE2-CD1 3.9Å; F18-L182 HydrophobicContact CZ-CD1 3.9Å; L22-L182 HydrophobicContact CD1-CD1 3.74Å; L22-L182 HydrophobicContact CD1-CD2 3.37Å; L22-L182 HydrophobicContact CD1-CG 4.13Å; L22-L182 HydrophobicContact CD2-CD1 4.21Å; L22-L182 HydrophobicContact CG-CD1 4.48Å; T178-L182 WeakPolarHBondContact O-CB 3.2Å; T178-L182 PolarHBondContact O-N 3.23Å; F179-L182 PolarHBondContact O-N 3.26Å; M180-L182 VanDerWaalsContact C-N 3.34Å; M180-L182 PolarHBondContact O-N 3.16Å; L182-F185 PolarHBondContact O-N 2.77Å; L182-L186 HydrophobicContact CD2-CD1 3.88Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 3.2Å
183N94.3Very high92Very high25 Ų2545 Ų4513%0.13425%0.252CS..Hα-helixtrans-65.3-44.3175.9-76.4-67.7000112.1K26 H51 F179 M180 F185 L186 D187K26-N183 PolarHBondContact NZ-OD1 3.5Å; H51-N183 PolarHBondContact CE1-OD1 3.29Å; F179-N183 VanDerWaalsContact CD1-ND2 3.33Å; F179-N183 WeakPolarHBondContact CD1-ND2 3.32Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.13Å; F179-N183 WeakPolarHBondContact CE2-ND2 3.41Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.47Å; F179-N183 PolarHBondContact O-N 2.77Å; F179-N183 PolarHBondContact O-ND2 3.24Å; M180-N183 PolarHBondContact O-N 3.1Å; N183-F185 VanDerWaalsContact C-N 3.28Å; N183-F185 PolarHBondContact O-N 3.48Å; N183-L186 PolarHBondContact O-N 3Å; N183-L186 VanDerWaalsContact O-N 3.1Å; N183-D187 PolarHBondContact O-N 3.11Å
184R94Very high91.8Very high109 Ų10946.1 Ų46.141%0.41125%0.252SS..Hα-helixtrans-56.8-42.2174.4-77-169.8-62.8-95.11.5112E162 M180 A181 D187 R188E162-R184 IonicContact OE1-CZ 3.54Å; E162-R184 IonicContact OE1-NE 2.71Å; E162-R184 PolarHBondContact OE1-NE 3.4Å; E162-R184 IonicContact OE1-NH2 2.85Å; E162-R184 IonicContact OE2-CZ 2.79Å; E162-R184 IonicContact OE2-NE 3.59Å; E162-R184 IonicContact OE2-NH2 2.79Å; E162-R184 PolarHBondContact OE2-NH2 3.14Å; M180-R184 WeakPolarHBondContact O-CG 3.4Å; M180-R184 PolarHBondContact O-N 3.07Å; A181-R184 PolarHBondContact O-N 2.8Å; R184-D187 PolarHBondContact O-N 2.93Å; R184-R188 VanDerWaalsContact O-CG 3.32Å; R184-R188 WeakPolarHBondContact O-CG 3.26Å; R184-R188 PolarHBondContact O-N 3.23Å
185F95.5Very high91.2Very high1 Ų147.3 Ų47.30%0.00425%0.254CS..Hα-helixtrans-60.3-48.3174.2165.9-103000112.1I5 I91 P124 L126 A181 L182 N183 D187 R188 V189I5-F185 HydrophobicContact CD1-CE1 3.91Å; I5-F185 HydrophobicContact CD1-CZ 4.35Å; I5-F185 HydrophobicContact CG2-CE1 4.22Å; I5-F185 HydrophobicContact CG2-CZ 4.17Å; I91-F185 HydrophobicContact CD1-CD1 4.48Å; I91-F185 HydrophobicContact CD1-CE1 3.72Å; I91-F185 HydrophobicContact CD1-CZ 4.3Å; I91-F185 HydrophobicContact CG1-CE1 3.59Å; I91-F185 HydrophobicContact CG1-CZ 3.66Å; P124-F185 HydrophobicContact CB-CD2 4.31Å; P124-F185 HydrophobicContact CB-CE2 4.11Å; L126-F185 HydrophobicContact CB-CB 4.38Å; L126-F185 HydrophobicContact CB-CD1 4.17Å; L126-F185 HydrophobicContact CB-CD2 3.69Å; L126-F185 HydrophobicContact CB-CE1 4.4Å; L126-F185 HydrophobicContact CB-CE2 3.95Å; L126-F185 HydrophobicContact CB-CG 3.8Å; L126-F185 HydrophobicContact CB-CZ 4.29Å; L126-F185 HydrophobicContact CD1-CB 4.48Å; L126-F185 HydrophobicContact CD2-CB 4.47Å; L126-F185 HydrophobicContact CD2-CD1 4.12Å; L126-F185 HydrophobicContact CD2-CG 4.27Å; A181-F185 WeakPolarHBondContact O-CB 3.44Å; A181-F185 PolarHBondContact O-N 2.95Å; L182-F185 PolarHBondContact O-N 2.77Å; N183-F185 VanDerWaalsContact C-N 3.28Å; N183-F185 PolarHBondContact O-N 3.48Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 3.44Å; F185-R188 PolarHBondContact O-N 3.42Å; F185-V189 HydrophobicContact CD2-CG2 4.32Å; F185-V189 HydrophobicContact CE1-CG2 4.17Å; F185-V189 HydrophobicContact CE2-CG2 3.82Å; F185-V189 HydrophobicContact CZ-CG2 3.74Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.21Å
186L95.2Very high90.2Very high3 Ų348.5 Ų48.52%0.01625%0.252CS..Hα-helixtrans-61.7-40.6178.3-67173.3000112.2I5 F49 V65 L182 N183 V189 V190I5-L186 HydrophobicContact CD1-CD2 3.54Å; F49-L186 HydrophobicContact CE2-CD1 3.97Å; F49-L186 HydrophobicContact CZ-CD1 3.83Å; F49-L186 HydrophobicContact CZ-CD2 3.94Å; V65-L186 HydrophobicContact CG1-CD2 4.36Å; V65-L186 HydrophobicContact CG2-CD2 4.5Å; L182-L186 HydrophobicContact CD2-CD1 3.88Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 3.2Å; N183-L186 PolarHBondContact O-N 3Å; N183-L186 VanDerWaalsContact O-N 3.1Å; L186-V189 PolarHBondContact O-N 2.88Å; L186-V190 WeakPolarHBondContact O-CG2 3.44Å; L186-V190 PolarHBondContact O-N 3.12Å
187D93Very high88.7Confident43 Ų4351.4 Ų51.423%0.2326%0.264CS..Hα-helixtrans-61.1-44.4175-64.4-17.6000110.9H51 Y53 N183 R184 F185 V189 V190 L191H51-D187 IonicContact CD2-OD1 3.73Å; H51-D187 IonicContact CE1-OD1 3.49Å; H51-D187 IonicContact NE2-OD1 3.64Å; H51-D187 PolarHBondContact NE2-OD1 2.76Å; Y53-D187 HydrophobicContact CD2-CB 4.01Å; Y53-D187 WeakPolarHBondContact CD2-OD1 3.23Å; Y53-D187 HydrophobicContact CE2-CB 3.94Å; N183-D187 PolarHBondContact O-N 3.11Å; R184-D187 PolarHBondContact O-N 2.93Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 3.44Å; D187-V189 VanDerWaalsContact C-N 3.34Å; D187-V189 PolarHBondContact O-N 3.27Å; D187-V190 PolarHBondContact O-N 2.99Å; D187-L191 WeakPolarHBondContact O-CB 3.23Å; D187-L191 WeakPolarHBondContact O-CG 3.39Å; D187-L191 PolarHBondContact O-N 3.44Å
188R92Very high86.9Confident43 Ų4351.9 Ų51.916%0.16227%0.265CS..Hα-helixtrans-61.9-39.2175.7-73-169.6-57.8125.6-3.1112.4P124 V125 D158 F160 R184 F185 N192P124-R188 HydrophobicContact CB-CB 4.15Å; P124-R188 HydrophobicContact CG-CB 4.19Å; V125-R188 PolarHBondContact O-NH2 3.42Å; V125-R188 VanDerWaalsContact O-NH2 3.1Å; D158-R188 IonicContact OD1-NH1 3.62Å; D158-R188 PolarHBondContact OD1-NH1 3.39Å; D158-R188 IonicContact OD2-CZ 2.85Å; D158-R188 IonicContact OD2-NH1 2.77Å; D158-R188 PolarHBondContact OD2-NH1 3.42Å; D158-R188 IonicContact OD2-NH2 2.6Å; F160-R188 PolarHBondContact O-NH1 3.44Å; F160-R188 PolarHBondContact O-NH2 2.85Å; R184-R188 VanDerWaalsContact O-CG 3.32Å; R184-R188 WeakPolarHBondContact O-CG 3.26Å; R184-R188 PolarHBondContact O-N 3.23Å; F185-R188 PolarHBondContact O-N 3.42Å; R188-N192 WeakPolarHBondContact O-CB 3.35Å; R188-N192 PolarHBondContact O-N 3.11Å
189V93.2Very high85Confident0 Ų055.7 Ų55.70%028%0.279CS..Hα-helixtrans-62.7-45.4175.4170.20000111.3V3 I5 D88 P124 F185 L186 D187 K193V3-V189 HydrophobicContact CB-CG1 3.85Å; V3-V189 HydrophobicContact CG1-CG1 4.25Å; V3-V189 HydrophobicContact CG2-CG1 4Å; I5-V189 HydrophobicContact CD1-CB 4.43Å; I5-V189 HydrophobicContact CD1-CG1 4.09Å; I5-V189 HydrophobicContact CD1-CG2 4.19Å; I5-V189 HydrophobicContact CG1-CG1 3.98Å; I5-V189 HydrophobicContact CG1-CG2 4.41Å; D88-V189 HydrophobicContact CB-CG1 3.92Å; P124-V189 HydrophobicContact CB-CG2 3.85Å; P124-V189 HydrophobicContact CG-CG2 4.22Å; F185-V189 HydrophobicContact CD2-CG2 4.32Å; F185-V189 HydrophobicContact CE1-CG2 4.17Å; F185-V189 HydrophobicContact CE2-CG2 3.82Å; F185-V189 HydrophobicContact CZ-CG2 3.74Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.21Å; L186-V189 PolarHBondContact O-N 2.88Å; D187-V189 VanDerWaalsContact C-N 3.34Å; D187-V189 PolarHBondContact O-N 3.27Å; V189-K193 PolarHBondContact O-N 3.23Å
190V91.8Very high82.7Confident2 Ų259.6 Ų59.61%0.01231%0.308CS..Hα-helixtrans-62.1-51.3176.8168.40000110.7M1 V3 H63 L186 D187 N192 K193 V194M1-V190 HydrophobicContact CE-CB 4.39Å; M1-V190 HydrophobicContact CE-CG1 3.82Å; V3-V190 HydrophobicContact CG1-CG2 4.24Å; H63-V190 HydrophobicContact CB-CG2 3.96Å; H63-V190 VanDerWaalsContact CE1-CG1 3.49Å; H63-V190 WeakPolarHBondContact CE1-CG1 3.07Å; H63-V190 WeakPolarHBondContact NE2-CG1 3.43Å; L186-V190 WeakPolarHBondContact O-CG2 3.44Å; L186-V190 PolarHBondContact O-N 3.12Å; D187-V190 PolarHBondContact O-N 2.99Å; V190-N192 PolarHBondContact O-N 2.86Å; V190-K193 WeakPolarHBondContact O-CB 3.49Å; V190-K193 PolarHBondContact O-N 2.95Å; V190-K193 VanDerWaalsContact O-N 3.09Å; V190-V194 WeakPolarHBondContact O-CG2 3.22Å; V190-V194 PolarHBondContact O-N 3.01Å; V190-V194 VanDerWaalsContact O-N 3.09Å
191L88.6Confident80.6Confident75 Ų7558.3 Ų58.339%0.39330%0.303SS..Hα-helixtrans-60-45.3-179.7-74172.9000112Y53 D187 K193 V194 E195Y53-L191 HydrophobicContact CE1-CD2 4.19Å; D187-L191 WeakPolarHBondContact O-CB 3.23Å; D187-L191 WeakPolarHBondContact O-CG 3.39Å; D187-L191 PolarHBondContact O-N 3.44Å; L191-K193 PolarHBondContact O-N 3Å; L191-V194 PolarHBondContact O-N 3.2Å; L191-E195 CarbonylContact O-C 3.6Å; L191-E195 PolarHBondContact O-N 2.71Å
192N87.2Confident78.5Confident18 Ų1862.1 Ų62.110%0.09633%0.329CS..Hα-helixtrans-64.8-22.9178.5-168.259000113.1Q122 P124 R188 V190 P196 I197Q122-N192 PolarHBondContact O-ND2 2.84Å; Q122-N192 VanDerWaalsContact O-ND2 3.15Å; P124-N192 WeakPolarHBondContact CD-ND2 3.49Å; P124-N192 HydrophobicContact CG-CB 3.96Å; R188-N192 WeakPolarHBondContact O-CB 3.35Å; R188-N192 PolarHBondContact O-N 3.11Å; V190-N192 PolarHBondContact O-N 2.86Å; N192-P196 WeakPolarHBondContact O-CA 3.34Å; N192-I197 PolarHBondContact OD1-N 3.11Å
193K87.3Confident76.3Confident85 Ų8566.1 Ų66.137%0.3736%0.362SS..Hα-helixtrans-81.7-36.3174.7-172.962.3164.9-139.30112.7M1 V3 D88 V189 V190 L191M1-K193 HydrophobicContact CE-CB 3.9Å; M1-K193 HydrophobicContact CE-CG 4.03Å; M1-K193 HydrophobicContact CG-CG 4.45Å; M1-K193 HydrophobicContact SD-CB 3.98Å; M1-K193 HydrophobicContact SD-CG 3.53Å; M1-K193 VanDerWaalsContact SD-CG 3.53Å; V3-K193 HydrophobicContact CG1-CB 4.09Å; V3-K193 HydrophobicContact CG1-CG 4.21Å; D88-K193 WeakPolarHBondContact OD1-CD 3.13Å; D88-K193 IonicContact OD1-NZ 2.6Å; D88-K193 PolarHBondContact OD1-NZ 2.78Å; D88-K193 IonicContact OD2-NZ 2.94Å; D88-K193 PolarHBondContact OD2-NZ 3.16Å; V189-K193 PolarHBondContact O-N 3.23Å; V190-K193 WeakPolarHBondContact O-CB 3.49Å; V190-K193 PolarHBondContact O-N 2.95Å; V190-K193 VanDerWaalsContact O-N 3.09Å; L191-K193 PolarHBondContact O-N 3Å
194V83.8Confident74.1Confident86 Ų8667.1 Ų67.152%0.52138%0.379SS..Hα-helixtrans-75.4-45.4177.3-179.20000110.7M1 V190 L191M1-V194 HydrophobicContact CE-CG2 3.51Å; M1-V194 HydrophobicContact SD-CG2 3.62Å; V190-V194 WeakPolarHBondContact O-CG2 3.22Å; V190-V194 PolarHBondContact O-N 3.01Å; V190-V194 VanDerWaalsContact O-N 3.09Å; L191-V194 PolarHBondContact O-N 3.2Å
195E77.3Confident72Confident149 Ų14963.6 Ų63.670%0.69637%0.365SS*.SBendtrans-128.887.1179.5-65.5-174.7175.700109.6L191 I197L191-E195 CarbonylContact O-C 3.6Å; L191-E195 PolarHBondContact O-N 2.71Å; E195-I197 PolarHBondContact O-N 3.26Å
196P69Low69.6Low79 Ų7969.9 Ų69.951%0.51339%0.389SS..  trans-60.7125.2179.6-21.431.9000111.4N192 V198N192-P196 WeakPolarHBondContact O-CA 3.34Å; P196-V198 VanDerWaalsContact C-N 3.34Å; P196-V198 PolarHBondContact O-N 3.42Å
197I60.7Low67.1Low86 Ų8673.5 Ų73.544%0.44141%0.411SS..  trans-74.491172.1-55174.4000107.8N192 E195 K199N192-I197 PolarHBondContact OD1-N 3.11Å; E195-I197 PolarHBondContact O-N 3.26Å; I197-K199 HydrophobicContact CG2-CG 4.29Å; I197-K199 PolarHBondContact O-N 3.45Å; I197-K199 VanDerWaalsContact O-N 3.1Å
198V54.6Low65Low120 Ų12074.5 Ų74.573%0.72742%0.422SS*.  trans-77.693.8172.1-173.90000108.5P196P196-V198 VanDerWaalsContact C-N 3.34Å; P196-V198 PolarHBondContact O-N 3.42Å
199K51.9Low62.9Low113 Ų11373.2 Ų73.249%0.49142%0.418SS..  trans-94.2127.7157-75.1-171.9-174.8168.90108.4I197 I201I197-K199 HydrophobicContact CG2-CG 4.29Å; I197-K199 PolarHBondContact O-N 3.45Å; I197-K199 VanDerWaalsContact O-N 3.1Å; K199-I201 PolarHBondContact O-N 3.09Å
200P44.6Very low60.4Low124 Ų12479.1 Ų79.181%0.80545%0.445SS*.  trans-59114.1170.922.5-29.4000108.5S202P200-S202 PolarHBondContact O-N 2.92Å
201I49.6Very low58.3Low59 Ų5986 Ų8630%0.30348%0.475SS..  trans-62.4109.3171-57.9178.5000106.1K199 A203 Y205K199-I201 PolarHBondContact O-N 3.09Å; I201-A203 PolarHBondContact O-N 2.95Å; I201-Y205 HydrophobicContact CG2-CD1 3.86Å; I201-Y205 HydrophobicContact CG2-CG 4.4Å
202S49Very low56.2Low83 Ų8389 Ų8958%0.5848%0.481SS*.  trans-58.2136.7179.278.60000109.4P200 G204 Y205P200-S202 PolarHBondContact O-N 2.92Å; S202-G204 PolarHBondContact O-N 3.14Å; S202-Y205 WeakPolarHBondContact O-CB 3.42Å; S202-Y205 PolarHBondContact O-N 3.16Å
203A49.8Very low54.1Low85 Ų8590 Ų9070%0.70249%0.492SS*.Hα-helixtrans-55.5-24.8-177.300000113.2I201 Y205 R206I201-A203 PolarHBondContact O-N 2.95Å; A203-Y205 PolarHBondContact O-N 3.04Å; A203-R206 PolarHBondContact O-N 2.74Å
204G48.9Very low51.9Low46 Ų4691.9 Ų91.947%0.47451%0.506SS..Hα-helixtrans-63.2-24.8174.500000114.1S202 V207 S208S202-G204 PolarHBondContact O-N 3.14Å; G204-V207 PolarHBondContact O-N 3.01Å; G204-S208 PolarHBondContact O-N 2.99Å
205Y48.1Very low49.8Very low35 Ų3596 Ų9614%0.13751%0.512CS..Hα-helixtrans-72.6-34.7-177.6-165.6-125.2000113M117 H156 C157 I201 S202 A203 V207 S208 I209M117-Y205 HydrophobicContact CE-CD1 3.05Å; M117-Y205 HydrophobicContact CE-CE1 3.15Å; M117-Y205 HydrophobicContact CE-CG 4.04Å; M117-Y205 HydrophobicContact SD-CD1 4.21Å; M117-Y205 HydrophobicContact SD-CE1 3.71Å; H156-Y205 AromaticContact CE1-CD2 3.17Å; H156-Y205 WeakPolarHBondContact CE1-CD2 3.42Å; H156-Y205 AromaticContact CE1-CE2 2.96Å; H156-Y205 WeakPolarHBondContact CE1-CE2 3.16Å; H156-Y205 AromaticContact CE1-CZ 3.64Å; H156-Y205 AromaticContact CG-CE2 3.74Å; H156-Y205 AromaticContact ND1-CD2 3.72Å; H156-Y205 AromaticContact ND1-CE2 3.01Å; H156-Y205 WeakPolarHBondContact ND1-CE2 3.44Å; H156-Y205 AromaticContact ND1-CZ 3.25Å; H156-Y205 VanDerWaalsContact ND1-CZ 3.25Å; H156-Y205 PolarHBondContact ND1-OH 3.14Å; H156-Y205 AromaticContact NE2-CD2 3.79Å; H156-Y205 AromaticContact NE2-CE2 3.61Å; C157-Y205 PolarHBondContact SG-OH 3.11Å; I201-Y205 HydrophobicContact CG2-CD1 3.86Å; I201-Y205 HydrophobicContact CG2-CG 4.4Å; S202-Y205 WeakPolarHBondContact O-CB 3.42Å; S202-Y205 PolarHBondContact O-N 3.16Å; A203-Y205 PolarHBondContact O-N 3.04Å; Y205-V207 PolarHBondContact O-N 2.88Å; Y205-S208 PolarHBondContact O-N 3.19Å; Y205-I209 HydrophobicContact CE1-CD1 4.16Å
206R45.1Very low48Very low134 Ų13493.1 Ų93.151%0.50651%0.509SS..Hα-helixtrans-58.3-34.3173-78.5-178162.3176.3-4112.2A203 H210A203-R206 PolarHBondContact O-N 2.74Å; R206-H210 PolarHBondContact O-ND1 3.38Å
207V42.5Very low46.3Very low78 Ų7893.9 Ų93.947%0.47352%0.516SS..Hα-helixtrans-78.8-35-176.6-177.20000112.1G204 Y205 K211G204-V207 PolarHBondContact O-N 3.01Å; Y205-V207 PolarHBondContact O-N 2.88Å; V207-K211 PolarHBondContact O-N 3.12Å
208S50.1Low45.1Very low65 Ų6598.3 Ų98.346%0.45555%0.547SS..Hα-helixtrans-69.7-32.9-175.1-70.90000114.2G204 Y205G204-S208 PolarHBondContact O-N 2.99Å; Y205-S208 PolarHBondContact O-N 3.19Å
209I46.9Very low44.6Very low16 Ų1697.3 Ų97.38%0.08254%0.538CS..Hα-helixtrans-72.7-42.6178.4-62.8176.6000111.3T110 M117 Y205 K211 W212 A213T110-I209 HydrophobicContact CG2-CG2 4.4Å; M117-I209 HydrophobicContact CE-CD1 3.63Å; M117-I209 HydrophobicContact SD-CD1 3.34Å; M117-I209 WeakPolarHBondContact SD-CD1 3.39Å; Y205-I209 HydrophobicContact CE1-CD1 4.16Å; I209-K211 VanDerWaalsContact C-N 3.29Å; I209-K211 PolarHBondContact O-N 3.37Å; I209-W212 PolarHBondContact O-N 3.19Å; I209-A213 PolarHBondContact O-N 3.33Å
210H41.3Very low44.2Very low123 Ų12396.4 Ų96.457%0.56954%0.541SS*.Hα-helixtrans-60.9-37.1177.8-72.184.2000112.3R206 W212R206-H210 PolarHBondContact O-ND1 3.38Å; H210-W212 PolarHBondContact O-N 3.48Å
211K47Very low44.2Very low148 Ų14894.9 Ų94.964%0.64353%0.526SS*.Hα-helixtrans-64.5-25.5175.1-78.2-175.8177.41790113.6V207 I209V207-K211 PolarHBondContact O-N 3.12Å; I209-K211 VanDerWaalsContact C-N 3.29Å; I209-K211 PolarHBondContact O-N 3.37Å
212W44.5Very low43.9Very low138 Ų13897 Ų9752%0.52354%0.539SS..Hα-helixtrans-99.2-31.2-176.7-85.984.9000114.1R153 I209 H210 N214 R215R153-W212 VanDerWaalsContact NH2-CG 3.26Å; I209-W212 PolarHBondContact O-N 3.19Å; H210-W212 PolarHBondContact O-N 3.48Å; W212-N214 PolarHBondContact O-N 3.36Å; W212-R215 PolarHBondContact O-N 3.39Å
213A43.8Very low43.5Very low39 Ų3997.9 Ų97.932%0.32254%0.537SS..Hα-helixtrans-57.1-30.7171.400000111.9I209 R215 S216I209-A213 PolarHBondContact O-N 3.33Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.77Å; A213-S216 PolarHBondContact O-OG 3.31Å
214N41.9Very low43.1Very low123 Ų12398.7 Ų98.766%0.65853%0.526SS*.THydrogen-bonded Turntrans-79.9-6.5175.7-68.6-10.4000114.4W212 S217W212-N214 PolarHBondContact O-N 3.36Å; N214-S217 PolarHBondContact O-OG 3.27Å
215R39.7Very low42.7Very low172 Ų172102.5 Ų102.565%0.64953%0.529SS*.THydrogen-bonded Turntrans-94.4-12.3175.9-75.8-173.3175.8-161.4-2.7113.5W212 A213 S217W212-R215 PolarHBondContact O-N 3.39Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.77Å; R215-S217 VanDerWaalsContact C-N 3.31Å
216S38.7Very low42.3Very low90 Ų90107.7 Ų107.763%0.62956%0.559SS**THydrogen-bonded Turntrans-885.5175.947.10000114.1A213A213-S216 PolarHBondContact O-OG 3.31Å
217S34Very low42Very low95 Ų95105.5 Ų105.566%0.66456%0.564SS**THydrogen-bonded Turntrans-107.321.7177.854.80000113.8N214 R215N214-S217 PolarHBondContact O-OG 3.27Å; R215-S217 VanDerWaalsContact C-N 3.31Å
218T34.3Very low42Very low179 Ų179108 Ų108100%1.09857%0.572SS**  trans-130.50171.757.20000109.3

Retrieved 218 of 218 residues in 166.8 ms (Link to these results)

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