| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 90.8 | Very high | 94.9 | Very high | 134 Ų | 134 | 45.1 Ų | 45.1 | 66% | 0.66 | 24% | 0.241 | S | C | * | . | 0 | 156.4 | 0 | -59.9 | -49.4 | -100.6 | 0 | 0 | 108.7 | S25 A27 N81 | M1-S25 WeakPolarHBondContact CE-O 3.27Å; M1-S25 WeakPolarHBondContact CG-O 3.31Å; M1-A27 HydrophobicContact CB-CB 4.24Å; M1-N81 HydrophobicContact CE-CB 3.67Å | |||
| 2 | A | 94 | Very high | 94.8 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | trans | -55.7 | 142.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A27 Q28 F61 Y78 V79 | A2-A27 HydrophobicContact CB-CB 4.35Å; A2-A27 CarbonylContact O-C 3.48Å; A2-A27 VanDerWaalsContact O-CA 3.25Å; A2-A27 WeakPolarHBondContact O-CA 3.35Å; A2-A27 VanDerWaalsContact O-CB 3.31Å; A2-A27 WeakPolarHBondContact O-CB 3.31Å; A2-Q28 PolarHBondContact O-N 2.99Å; A2-F61 HydrophobicContact CB-CZ 4.49Å; A2-Y78 HydrophobicContact CB-CD1 3.98Å; A2-Y78 HydrophobicContact CB-CE1 3.65Å; A2-V79 HydrophobicContact CB-CG1 4.13Å | ||
| 3 | A | 98 | Very high | 94.8 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108 | Q28 G63 D64 | A3-Q28 CarbonylContact C-O 3.52Å; A3-Q28 VanDerWaalsContact CA-O 3.31Å; A3-Q28 WeakPolarHBondContact CA-O 3.25Å; A3-Q28 HydrophobicContact CB-CB 4.08Å; A3-G63 WeakPolarHBondContact O-CA 3.15Å; A3-D64 PolarHBondContact O-N 3Å |
| 4 | G | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -166 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q28 R30 E62 | G4-Q28 PolarHBondContact N-O 3.47Å; G4-R30 PolarHBondContact O-N 3.39Å; G4-E62 CarbonylContact C-O 3.44Å; G4-E62 VanDerWaalsContact CA-O 3.28Å; G4-E62 WeakPolarHBondContact CA-O 3.47Å |
| 5 | T | 98.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132 | -173.7 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | Y7 R30 L32 F61 E62 | T5-Y7 HydrophobicContact CG2-CD1 4.38Å; T5-Y7 HydrophobicContact CG2-CE1 3.92Å; T5-Y7 HydrophobicContact CG2-CE2 4.08Å; T5-R30 CarbonylContact C-O 3.58Å; T5-R30 WeakPolarHBondContact CA-O 3.08Å; T5-R30 PolarHBondContact OG1-NH2 2.79Å; T5-L32 HydrophobicContact CG2-CB 4.32Å; T5-L32 HydrophobicContact CG2-CD1 3.42Å; T5-L32 VanDerWaalsContact CG2-CD1 3.42Å; T5-L32 HydrophobicContact CG2-CG 3.64Å; T5-F61 WeakPolarHBondContact O-CA 3.25Å; T5-E62 PolarHBondContact N-O 2.89Å; T5-E62 PolarHBondContact O-N 2.91Å |
| 6 | L | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.3 | 174.5 | -169.9 | 72.8 | 0 | 0 | 0 | 110.2 | A15 A18 L19 V29 R30 V31 L32 P59 A60 F61 I75 | L6-A15 HydrophobicContact CD2-CB 4.09Å; L6-A18 HydrophobicContact CD2-CB 4.43Å; L6-L19 HydrophobicContact CD2-CD2 3.87Å; L6-L19 HydrophobicContact CD2-CG 4.11Å; L6-V29 HydrophobicContact CB-CG1 3.57Å; L6-V29 HydrophobicContact CD2-CG1 4.17Å; L6-V29 HydrophobicContact CG-CG1 4.41Å; L6-R30 PolarHBondContact N-O 2.91Å; L6-V31 WeakPolarHBondContact O-CA 3.44Å; L6-L32 PolarHBondContact O-N 3.03Å; L6-P59 HydrophobicContact CD1-CB 3.92Å; L6-P59 HydrophobicContact CG-CB 4.37Å; L6-A60 WeakPolarHBondContact CA-O 3.3Å; L6-F61 HydrophobicContact CD1-CB 4.02Å; L6-F61 HydrophobicContact CD1-CD2 4.27Å; L6-I75 HydrophobicContact CD1-CD1 4.26Å; L6-I75 HydrophobicContact CD1-CG2 3.79Å |
| 7 | Y | 98.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.5 | 176.5 | -52.6 | -86.9 | 0 | 0 | 0 | 110 | T5 L32 F38 F49 F53 V58 P59 A60 E62 | T5-Y7 HydrophobicContact CG2-CD1 4.38Å; T5-Y7 HydrophobicContact CG2-CE1 3.92Å; T5-Y7 HydrophobicContact CG2-CE2 4.08Å; Y7-L32 HydrophobicContact CD1-CB 4.11Å; Y7-L32 HydrophobicContact CD1-CD1 4.26Å; Y7-L32 HydrophobicContact CE1-CB 4.48Å; Y7-L32 HydrophobicContact CE1-CD1 3.77Å; Y7-F38 HydrophobicContact CD1-CD2 4.18Å; Y7-F49 HydrophobicContact CD1-CE2 4.42Å; Y7-F49 HydrophobicContact CD2-CE2 4.2Å; Y7-F49 AromaticContact CG-CE2 3.95Å; Y7-F49 HydrophobicContact CG-CE2 3.95Å; Y7-F53 AromaticContact CD2-CE2 3.91Å; Y7-F53 HydrophobicContact CD2-CE2 3.91Å; Y7-F53 HydrophobicContact CD2-CZ 4.15Å; Y7-F53 AromaticContact CE2-CE2 3.94Å; Y7-F53 HydrophobicContact CE2-CE2 3.94Å; Y7-F53 HydrophobicContact CE2-CZ 4.12Å; Y7-V58 WeakPolarHBondContact O-CG1 3.44Å; Y7-P59 WeakPolarHBondContact O-CA 3.38Å; Y7-A60 HydrophobicContact CD2-CB 4.5Å; Y7-A60 WeakPolarHBondContact CD2-O 3.46Å; Y7-A60 PolarHBondContact N-O 3.13Å; Y7-A60 PolarHBondContact O-N 3.39Å; Y7-A60 VanDerWaalsContact O-N 3.08Å; Y7-E62 HydrophobicContact CE2-CB 4.07Å; Y7-E62 PolarHBondContact OH-OE2 2.96Å |
| 8 | T | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | trans | -161.4 | 163.6 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | N12 A15 V31 L32 S33 F38 | T8-N12 VanDerWaalsContact OG1-CB 3.25Å; T8-N12 WeakPolarHBondContact OG1-CB 2.92Å; T8-N12 PolarHBondContact OG1-ND2 2.91Å; T8-A15 HydrophobicContact CG2-CB 3.82Å; T8-V31 HydrophobicContact CG2-CG1 3.91Å; T8-L32 PolarHBondContact N-O 3.26Å; T8-S33 WeakPolarHBondContact O-CA 2.93Å; T8-S33 WeakPolarHBondContact O-CB 3.33Å; T8-F38 WeakPolarHBondContact O-CD1 3.41Å; T8-F38 WeakPolarHBondContact O-CE1 3.31Å | ||
| 9 | Y | 91.7 | Very high | 95.9 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 26% | 0.259 | 17% | 0.172 | S | C | . | . | trans | -77.1 | 156.9 | 159.1 | 56.6 | -92 | 0 | 0 | 0 | 110.5 | N12 F40 V58 | Y9-N12 HydrophobicContact CD2-CB 3.82Å; Y9-N12 HydrophobicContact CE1-CB 4.36Å; Y9-N12 HydrophobicContact CE2-CB 3.47Å; Y9-N12 VanDerWaalsContact CE2-CB 3.47Å; Y9-N12 HydrophobicContact CG-CB 4.38Å; Y9-N12 VanDerWaalsContact CZ-CG 3.42Å; Y9-N12 WeakPolarHBondContact O-CB 3.47Å; Y9-N12 PolarHBondContact OH-OD1 3.49Å; Y9-F40 HydrophobicContact CD1-CD1 4.4Å; Y9-F40 AromaticContact CD1-CD2 3.74Å; Y9-F40 HydrophobicContact CD1-CD2 3.74Å; Y9-F40 HydrophobicContact CD1-CE1 4.36Å; Y9-F40 AromaticContact CD1-CE2 3.71Å; Y9-F40 HydrophobicContact CD1-CE2 3.71Å; Y9-F40 HydrophobicContact CD1-CG 4.1Å; Y9-F40 HydrophobicContact CD1-CZ 4.03Å; Y9-F40 HydrophobicContact CE1-CE2 4.09Å; Y9-F40 HydrophobicContact CE1-CZ 4.19Å; Y9-F40 HydrophobicContact CG-CG 4.47Å; Y9-V58 HydrophobicContact CD1-CG2 3.62Å; Y9-V58 HydrophobicContact CE1-CG2 3.84Å | ||
| 10 | P | 88.5 | Confident | 96.1 | Very high | 85 Ų | 85 | 32 Ų | 32 | 55% | 0.552 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 157.2 | 177.5 | 27.2 | -35.6 | 0 | 0 | 0 | 111.9 | N12 | P10-N12 PolarHBondContact O-N 3.27Å; P10-N12 VanDerWaalsContact O-N 3.14Å |
| 11 | E | 89.4 | Confident | 96.2 | Very high | 108 Ų | 108 | 30.5 Ų | 30.5 | 51% | 0.505 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.9 | -179.4 | -59.4 | -57.6 | 109.9 | 0 | 0 | 115.5 | W13 | E11-W13 PolarHBondContact O-N 3.47Š|
| 12 | N | 92.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | trans | -82.3 | 106.1 | 176.7 | -173.8 | 2.2 | 0 | 0 | 0 | 111.4 | T8 Y9 P10 R14 A15 F16 | T8-N12 VanDerWaalsContact OG1-CB 3.25Å; T8-N12 WeakPolarHBondContact OG1-CB 2.92Å; T8-N12 PolarHBondContact OG1-ND2 2.91Å; Y9-N12 HydrophobicContact CD2-CB 3.82Å; Y9-N12 HydrophobicContact CE1-CB 4.36Å; Y9-N12 HydrophobicContact CE2-CB 3.47Å; Y9-N12 VanDerWaalsContact CE2-CB 3.47Å; Y9-N12 HydrophobicContact CG-CB 4.38Å; Y9-N12 VanDerWaalsContact CZ-CG 3.42Å; Y9-N12 WeakPolarHBondContact O-CB 3.47Å; Y9-N12 PolarHBondContact OH-OD1 3.49Å; P10-N12 PolarHBondContact O-N 3.27Å; P10-N12 VanDerWaalsContact O-N 3.14Å; N12-R14 PolarHBondContact O-N 2.85Å; N12-R14 VanDerWaalsContact OD1-CB 3.32Å; N12-R14 WeakPolarHBondContact OD1-CB 3.35Å; N12-R14 PolarHBondContact OD1-N 2.88Å; N12-A15 HydrophobicContact CB-CB 4.06Å; N12-A15 WeakPolarHBondContact O-CA 3.41Å; N12-A15 WeakPolarHBondContact O-CB 3.44Å; N12-A15 PolarHBondContact O-N 3.34Å; N12-F16 PolarHBondContact O-N 2.91Å; N12-F16 VanDerWaalsContact O-N 3.1Å | ||
| 13 | W | 95.5 | Very high | 96.8 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -28.4 | 176.9 | 72.4 | -99.3 | 0 | 0 | 0 | 113.5 | E11 A15 F16 K17 V107 C166 T167 W170 | E11-W13 PolarHBondContact O-N 3.47Å; W13-A15 VanDerWaalsContact C-N 3.35Å; W13-F16 HydrophobicContact CB-CD2 4.44Å; W13-F16 PolarHBondContact O-N 2.93Å; W13-K17 HydrophobicContact CZ3-CD 4.22Å; W13-K17 PolarHBondContact O-N 3.32Å; W13-V107 HydrophobicContact CH2-CG2 3.58Å; W13-V107 HydrophobicContact CZ2-CG1 4.35Å; W13-V107 HydrophobicContact CZ2-CG2 3.78Å; W13-C166 HydrophobicContact CE3-CB 4.1Å; W13-T167 HydrophobicContact CE3-CG2 4.01Å; W13-T167 HydrophobicContact CH2-CG2 3.66Å; W13-T167 HydrophobicContact CZ3-CG2 3.34Å; W13-W170 AromaticContact CD1-CD1 3.96Å |
| 14 | R | 97 | Very high | 96.8 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 27% | 0.272 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 176.3 | -62 | -177.8 | -176.9 | 83.4 | -2 | 112 | N12 P59 | N12-R14 PolarHBondContact O-N 2.85Å; N12-R14 VanDerWaalsContact OD1-CB 3.32Å; N12-R14 WeakPolarHBondContact OD1-CB 3.35Å; N12-R14 PolarHBondContact OD1-N 2.88Å; R14-P59 HydrophobicContact CB-CG 4.14Å |
| 15 | A | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L6 T8 N12 W13 K17 A18 L19 P59 | L6-A15 HydrophobicContact CD2-CB 4.09Å; T8-A15 HydrophobicContact CG2-CB 3.82Å; N12-A15 HydrophobicContact CB-CB 4.06Å; N12-A15 WeakPolarHBondContact O-CA 3.41Å; N12-A15 WeakPolarHBondContact O-CB 3.44Å; N12-A15 PolarHBondContact O-N 3.34Å; W13-A15 VanDerWaalsContact C-N 3.35Å; A15-K17 PolarHBondContact O-N 2.83Å; A15-A18 PolarHBondContact O-N 2.78Å; A15-L19 WeakPolarHBondContact O-CG 3.36Å; A15-L19 PolarHBondContact O-N 2.95Å; A15-L19 VanDerWaalsContact O-N 3.1Å; A15-P59 HydrophobicContact CB-CB 4.2Å |
| 16 | F | 98.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.9 | -36 | 176.8 | -63.2 | -18.8 | 0 | 0 | 0 | 112.7 | N12 W13 A18 L19 I20 L169 V203 L204 | N12-F16 PolarHBondContact O-N 2.91Å; N12-F16 VanDerWaalsContact O-N 3.1Å; W13-F16 HydrophobicContact CB-CD2 4.44Å; W13-F16 PolarHBondContact O-N 2.93Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.85Å; F16-L19 HydrophobicContact CD1-CD1 4.45Å; F16-L19 PolarHBondContact O-N 3.38Å; F16-I20 HydrophobicContact CB-CD1 4.33Å; F16-I20 WeakPolarHBondContact O-CB 3.5Å; F16-I20 WeakPolarHBondContact O-CD1 3.38Å; F16-I20 VanDerWaalsContact O-CG1 3.23Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.99Å; F16-L169 HydrophobicContact CD2-CD2 4.05Å; F16-L169 HydrophobicContact CE2-CD2 4.14Å; F16-V203 HydrophobicContact CB-CG1 4.2Å; F16-V203 HydrophobicContact CD1-CG1 3.8Å; F16-V203 HydrophobicContact CE1-CG1 4.44Å; F16-V203 HydrophobicContact CG-CG1 4.17Å; F16-L204 HydrophobicContact CB-CD2 4.06Å; F16-L204 HydrophobicContact CD2-CD2 3.38Å; F16-L204 HydrophobicContact CE2-CD2 3.87Å; F16-L204 HydrophobicContact CG-CD2 3.82Å |
| 17 | K | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.8 | -50.8 | 174.5 | -63.7 | -171.8 | -64.6 | -174.1 | 0 | 112.5 | W13 A15 A21 S72 N73 A76 I162 T163 C166 | W13-K17 HydrophobicContact CZ3-CD 4.22Å; W13-K17 PolarHBondContact O-N 3.32Å; A15-K17 PolarHBondContact O-N 2.83Å; K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.11Å; K17-A21 PolarHBondContact O-N 2.97Å; K17-S72 WeakPolarHBondContact CE-OG 3.24Å; K17-S72 PolarHBondContact NZ-OG 2.99Å; K17-N73 PolarHBondContact NZ-OD1 3.09Å; K17-A76 HydrophobicContact CB-CB 4.1Å; K17-I162 HydrophobicContact CB-CG2 4.23Å; K17-I162 HydrophobicContact CG-CG2 4.47Å; K17-T163 HydrophobicContact CD-CG2 3.78Å; K17-C166 HydrophobicContact CD-CB 4.46Å; K17-C166 HydrophobicContact CG-CB 3.74Å |
| 18 | A | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 A15 F16 A21 A22 I75 A76 V79 | L6-A18 HydrophobicContact CD2-CB 4.43Å; A15-A18 PolarHBondContact O-N 2.78Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.85Å; A18-A21 PolarHBondContact O-N 2.82Å; A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.98Å; A18-I75 HydrophobicContact CB-CG2 3.76Å; A18-A76 HydrophobicContact CB-CB 4.38Å; A18-V79 HydrophobicContact CB-CG2 4.12Å; A18-V79 WeakPolarHBondContact O-CG2 3.24Å |
| 19 | L | 98.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 179.5 | -62.1 | 177.5 | 0 | 0 | 0 | 112 | L6 A15 F16 A22 Q23 V29 V31 V203 | L6-L19 HydrophobicContact CD2-CD2 3.87Å; L6-L19 HydrophobicContact CD2-CG 4.11Å; A15-L19 WeakPolarHBondContact O-CG 3.36Å; A15-L19 PolarHBondContact O-N 2.95Å; A15-L19 VanDerWaalsContact O-N 3.1Å; F16-L19 HydrophobicContact CD1-CD1 4.45Å; F16-L19 PolarHBondContact O-N 3.38Å; L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 3.46Å; L19-Q23 WeakPolarHBondContact O-CG 3.23Å; L19-Q23 PolarHBondContact O-N 3.43Å; L19-V29 HydrophobicContact CD2-CB 4.19Å; L19-V29 HydrophobicContact CD2-CG1 3.78Å; L19-V31 HydrophobicContact CD1-CG2 3.87Å; L19-V31 HydrophobicContact CD2-CG2 3.53Å; L19-V31 HydrophobicContact CG-CG2 4.32Å; L19-V203 HydrophobicContact CB-CG1 3.77Å; L19-V203 HydrophobicContact CB-CG2 3.9Å; L19-V203 HydrophobicContact CD1-CG1 4.18Å |
| 20 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 176 | -64 | 163 | 0 | 0 | 0 | 109.7 | F16 A22 Q23 Y24 I162 F200 V203 L204 | F16-I20 HydrophobicContact CB-CD1 4.33Å; F16-I20 WeakPolarHBondContact O-CB 3.5Å; F16-I20 WeakPolarHBondContact O-CD1 3.38Å; F16-I20 VanDerWaalsContact O-CG1 3.23Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.99Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.11Å; I20-Q23 WeakPolarHBondContact O-CB 3.43Å; I20-Q23 PolarHBondContact O-N 3.36Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; I20-Y24 HydrophobicContact CG2-CD2 4.22Å; I20-Y24 HydrophobicContact CG2-CE2 4Å; I20-Y24 WeakPolarHBondContact O-CD2 3.42Å; I20-Y24 PolarHBondContact O-N 2.64Å; I20-I162 HydrophobicContact CB-CG2 4.02Å; I20-I162 HydrophobicContact CD1-CG2 4.43Å; I20-I162 HydrophobicContact CG2-CD1 3.95Å; I20-I162 HydrophobicContact CG2-CG1 3.85Å; I20-I162 HydrophobicContact CG2-CG2 4.1Å; I20-F200 HydrophobicContact CD1-CD1 3.7Å; I20-F200 HydrophobicContact CD1-CE1 3.99Å; I20-F200 HydrophobicContact CD1-CG 4.29Å; I20-F200 HydrophobicContact CG1-CD1 4.49Å; I20-F200 HydrophobicContact CG2-CD1 4.17Å; I20-F200 HydrophobicContact CG2-CD2 3.73Å; I20-F200 HydrophobicContact CG2-CE1 4.18Å; I20-F200 HydrophobicContact CG2-CE2 3.79Å; I20-F200 HydrophobicContact CG2-CG 3.96Å; I20-F200 HydrophobicContact CG2-CZ 4.02Å; I20-V203 HydrophobicContact CG1-CB 3.75Å; I20-V203 HydrophobicContact CG1-CG1 4.02Å; I20-V203 HydrophobicContact CG1-CG2 3.83Å; I20-L204 HydrophobicContact CD1-CD1 4.33Å; I20-L204 HydrophobicContact CD1-CD2 4.16Å; I20-L204 HydrophobicContact CD1-CG 4.15Å |
| 21 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K17 A18 Q23 Y24 S25 V79 S80 L84 L159 I162 | K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.11Å; K17-A21 PolarHBondContact O-N 2.97Å; A18-A21 PolarHBondContact O-N 2.82Å; A21-Q23 VanDerWaalsContact C-N 3.32Å; A21-Q23 PolarHBondContact O-N 3.26Å; A21-Y24 PolarHBondContact O-N 2.89Å; A21-S25 VanDerWaalsContact O-CB 3.31Å; A21-S25 WeakPolarHBondContact O-CB 3.47Å; A21-S25 PolarHBondContact O-N 3.46Å; A21-S25 PolarHBondContact O-OG 2.83Å; A21-V79 HydrophobicContact CB-CG2 4.1Å; A21-S80 WeakPolarHBondContact CB-OG 3.41Å; A21-L84 HydrophobicContact CB-CD1 4.09Å; A21-L159 HydrophobicContact CB-CD2 4.11Å; A21-I162 HydrophobicContact CB-CD1 4.37Å |
| 22 | A | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A18 L19 I20 Y24 S25 G26 A27 V29 V79 | A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.98Å; L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 3.46Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.11Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 PolarHBondContact O-N 3.03Å; A22-S25 PolarHBondContact O-N 3.31Å; A22-G26 WeakPolarHBondContact O-CA 3.34Å; A22-G26 PolarHBondContact O-N 3.08Å; A22-A27 HydrophobicContact CB-CB 3.96Å; A22-A27 PolarHBondContact O-N 3.06Å; A22-V29 HydrophobicContact CB-CB 4.41Å; A22-V29 HydrophobicContact CB-CG2 3.71Å; A22-V79 HydrophobicContact CB-CG2 4.49Å |
| 23 | Q | 98.7 | Very high | 98.2 | Very high | 103 Ų | 103 | 37.8 Ų | 37.8 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.9 | -38 | 173.9 | -67.2 | -58.8 | -53.9 | 0 | 0 | 112.6 | L19 I20 A21 Q199 A202 V203 | L19-Q23 WeakPolarHBondContact O-CG 3.23Å; L19-Q23 PolarHBondContact O-N 3.43Å; I20-Q23 WeakPolarHBondContact O-CB 3.43Å; I20-Q23 PolarHBondContact O-N 3.36Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; A21-Q23 VanDerWaalsContact C-N 3.32Å; A21-Q23 PolarHBondContact O-N 3.26Å; Q23-Q199 HydrophobicContact CB-CB 3.65Å; Q23-Q199 HydrophobicContact CB-CG 3.86Å; Q23-A202 HydrophobicContact CG-CB 4.3Å; Q23-V203 HydrophobicContact CG-CG2 3.85Å |
| 24 | Y | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.7 | -35.1 | 177 | -82.5 | -76.2 | 0 | 0 | 0 | 112.9 | I20 A21 A22 L84 V157 I162 Q197 Q199 F200 | I20-Y24 HydrophobicContact CG2-CD2 4.22Å; I20-Y24 HydrophobicContact CG2-CE2 4Å; I20-Y24 WeakPolarHBondContact O-CD2 3.42Å; I20-Y24 PolarHBondContact O-N 2.64Å; A21-Y24 PolarHBondContact O-N 2.89Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 PolarHBondContact O-N 3.03Å; Y24-L84 HydrophobicContact CD2-CD2 4.36Å; Y24-L84 HydrophobicContact CG-CD2 4.24Å; Y24-V157 HydrophobicContact CD2-CG1 4.45Å; Y24-V157 HydrophobicContact CE1-CB 4.31Å; Y24-V157 HydrophobicContact CE1-CG1 4.42Å; Y24-V157 HydrophobicContact CE2-CB 4.48Å; Y24-V157 HydrophobicContact CE2-CG1 3.76Å; Y24-I162 HydrophobicContact CD2-CD1 4.19Å; Y24-I162 HydrophobicContact CE2-CD1 4.42Å; Y24-Q197 WeakPolarHBondContact OH-CB 3.4Å; Y24-Q199 HydrophobicContact CD1-CB 4.45Å; Y24-Q199 HydrophobicContact CD1-CG 3.79Å; Y24-Q199 HydrophobicContact CD2-CB 3.68Å; Y24-Q199 HydrophobicContact CD2-CG 3.84Å; Y24-Q199 HydrophobicContact CE1-CB 4.16Å; Y24-Q199 HydrophobicContact CE1-CG 3.71Å; Y24-Q199 HydrophobicContact CE2-CB 3.33Å; Y24-Q199 HydrophobicContact CE2-CG 3.77Å; Y24-Q199 HydrophobicContact CG-CB 4.21Å; Y24-Q199 HydrophobicContact CG-CG 3.83Å; Y24-Q199 PolarHBondContact OH-OE1 2.92Å; Y24-F200 HydrophobicContact CE2-CD2 4.09Å; Y24-F200 AromaticContact CE2-CE2 3.91Å; Y24-F200 HydrophobicContact CE2-CE2 3.91Å |
| 25 | S | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -88 | -28.3 | -171.8 | 88.4 | 0 | 0 | 0 | 0 | 112.3 | M1 A21 A22 A27 V79 | M1-S25 WeakPolarHBondContact CE-O 3.27Å; M1-S25 WeakPolarHBondContact CG-O 3.31Å; A21-S25 VanDerWaalsContact O-CB 3.31Å; A21-S25 WeakPolarHBondContact O-CB 3.47Å; A21-S25 PolarHBondContact O-N 3.46Å; A21-S25 PolarHBondContact O-OG 2.83Å; A22-S25 PolarHBondContact O-N 3.31Å; S25-A27 WeakPolarHBondContact OG-CB 3.45Å; S25-A27 PolarHBondContact OG-N 3.43Å; S25-A27 VanDerWaalsContact OG-N 3.08Å; S25-V79 VanDerWaalsContact CB-O 3.27Å; S25-V79 WeakPolarHBondContact CB-O 3.33Å; S25-V79 PolarHBondContact OG-O 2.61Å |
| 26 | G | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 11.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A22 Q28 | A22-G26 WeakPolarHBondContact O-CA 3.34Å; A22-G26 PolarHBondContact O-N 3.08Å; G26-Q28 PolarHBondContact O-NE2 3.23Å |
| 27 | A | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | trans | -61.6 | 141.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 A2 A22 S25 V29 V79 | M1-A27 HydrophobicContact CB-CB 4.24Å; A2-A27 HydrophobicContact CB-CB 4.35Å; A2-A27 CarbonylContact O-C 3.48Å; A2-A27 VanDerWaalsContact O-CA 3.25Å; A2-A27 WeakPolarHBondContact O-CA 3.35Å; A2-A27 VanDerWaalsContact O-CB 3.31Å; A2-A27 WeakPolarHBondContact O-CB 3.31Å; A22-A27 HydrophobicContact CB-CB 3.96Å; A22-A27 PolarHBondContact O-N 3.06Å; S25-A27 WeakPolarHBondContact OG-CB 3.45Å; S25-A27 PolarHBondContact OG-N 3.43Å; S25-A27 VanDerWaalsContact OG-N 3.08Å; A27-V29 HydrophobicContact CB-CG2 4.3Å; A27-V29 PolarHBondContact O-N 3.4Å; A27-V79 HydrophobicContact CB-CB 4.03Å | ||
| 28 | Q | 98.5 | Very high | 97.3 | Very high | 136 Ų | 136 | 50.7 Ų | 50.7 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 94.7 | -178.1 | -62.9 | -58.6 | -44 | 0 | 0 | 109.8 | A2 A3 G4 G26 | A2-Q28 PolarHBondContact O-N 2.99Å; A3-Q28 CarbonylContact C-O 3.52Å; A3-Q28 VanDerWaalsContact CA-O 3.31Å; A3-Q28 WeakPolarHBondContact CA-O 3.25Å; A3-Q28 HydrophobicContact CB-CB 4.08Å; G4-Q28 PolarHBondContact N-O 3.47Å; G26-Q28 PolarHBondContact O-NE2 3.23Å |
| 29 | V | 98.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 105.3 | -175 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | L6 L19 A22 A27 F61 V79 | L6-V29 HydrophobicContact CB-CG1 3.57Å; L6-V29 HydrophobicContact CD2-CG1 4.17Å; L6-V29 HydrophobicContact CG-CG1 4.41Å; L19-V29 HydrophobicContact CD2-CB 4.19Å; L19-V29 HydrophobicContact CD2-CG1 3.78Å; A22-V29 HydrophobicContact CB-CB 4.41Å; A22-V29 HydrophobicContact CB-CG2 3.71Å; A27-V29 HydrophobicContact CB-CG2 4.3Å; A27-V29 PolarHBondContact O-N 3.4Å; V29-F61 HydrophobicContact CG1-CE2 4.39Å; V29-F61 HydrophobicContact CG2-CE2 4.37Å; V29-V79 HydrophobicContact CG2-CB 4.43Å; V29-V79 HydrophobicContact CG2-CG1 4.06Å |
| 30 | R | 98.3 | Very high | 96.5 | Very high | 133 Ų | 133 | 58.5 Ų | 58.5 | 50% | 0.502 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122 | 174.1 | 177.9 | 173.6 | 59.9 | -108.3 | -1.5 | 110.1 | G4 T5 L6 D64 | G4-R30 PolarHBondContact O-N 3.39Å; T5-R30 CarbonylContact C-O 3.58Å; T5-R30 WeakPolarHBondContact CA-O 3.08Å; T5-R30 PolarHBondContact OG1-NH2 2.79Å; L6-R30 PolarHBondContact N-O 2.91Å; R30-D64 IonicContact NH2-OD1 3.93Å |
| 31 | V | 98.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.1 | 179 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | L6 T8 L19 | L6-V31 WeakPolarHBondContact O-CA 3.44Å; T8-V31 HydrophobicContact CG2-CG1 3.91Å; L19-V31 HydrophobicContact CD1-CG2 3.87Å; L19-V31 HydrophobicContact CD2-CG2 3.53Å; L19-V31 HydrophobicContact CG-CG2 4.32Å |
| 32 | L | 97.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 106.6 | 167.1 | -63.9 | -179 | 0 | 0 | 0 | 108.7 | T5 L6 Y7 T8 H37 F38 | T5-L32 HydrophobicContact CG2-CB 4.32Å; T5-L32 HydrophobicContact CG2-CD1 3.42Å; T5-L32 VanDerWaalsContact CG2-CD1 3.42Å; T5-L32 HydrophobicContact CG2-CG 3.64Å; L6-L32 PolarHBondContact O-N 3.03Å; Y7-L32 HydrophobicContact CD1-CB 4.11Å; Y7-L32 HydrophobicContact CD1-CD1 4.26Å; Y7-L32 HydrophobicContact CE1-CB 4.48Å; Y7-L32 HydrophobicContact CE1-CD1 3.77Å; T8-L32 PolarHBondContact N-O 3.26Å; L32-H37 HydrophobicContact CB-CB 4.2Å; L32-H37 HydrophobicContact CD1-CB 4.11Å; L32-H37 HydrophobicContact CD2-CB 3.87Å; L32-H37 HydrophobicContact CG-CB 4.27Å; L32-F38 HydrophobicContact CB-CB 4.42Å; L32-F38 WeakPolarHBondContact O-CB 3.41Å |
| 33 | S | 96.2 | Very high | 95.3 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -132.5 | 3.1 | -173.3 | 60.3 | 0 | 0 | 0 | 0 | 116.5 | T8 | T8-S33 WeakPolarHBondContact O-CA 2.93Å; T8-S33 WeakPolarHBondContact O-CB 3.33Å | ||
| 34 | A | 94.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 63 Ų | 63 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -137 | 155.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H37 F38 | A34-H37 PolarHBondContact O-N 2.95Å; A34-H37 VanDerWaalsContact O-N 3.17Å; A34-F38 CarbonylContact C-O 3.59Å; A34-F38 WeakPolarHBondContact CA-O 3.38Å; A34-F38 PolarHBondContact O-N 3.17Å |
| 35 | P | 90.7 | Very high | 94.9 | Very high | 87 Ų | 87 | 68 Ų | 68 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 148.6 | 170.1 | -24.2 | 34.8 | 0 | 0 | 0 | 112.2 | H37 H39 | P35-H37 VanDerWaalsContact C-N 3.34Å; P35-H39 HydrophobicContact CG-CB 4.28Å |
| 36 | P | 94.3 | Very high | 94.8 | Very high | 119 Ų | 119 | 69.5 Ų | 69.5 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -81.3 | -9.5 | 3.4 | 33.8 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 37 | H | 95.4 | Very high | 94.7 | Very high | 122 Ų | 122 | 71.8 Ų | 71.8 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -38.2 | -170.5 | -62.4 | -56.9 | 0 | 0 | 0 | 113.8 | L32 A34 P35 | L32-H37 HydrophobicContact CB-CB 4.2Å; L32-H37 HydrophobicContact CD1-CB 4.11Å; L32-H37 HydrophobicContact CD2-CB 3.87Å; L32-H37 HydrophobicContact CG-CB 4.27Å; A34-H37 PolarHBondContact O-N 2.95Å; A34-H37 VanDerWaalsContact O-N 3.17Å; P35-H37 VanDerWaalsContact C-N 3.34Å |
| 38 | F | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.009 | 41% | 0.406 | C | S | . | . | trans | -146.1 | 117.5 | 177.4 | -172 | -98.4 | 0 | 0 | 0 | 111.3 | Y7 T8 L32 A34 F40 T43 N44 F49 V58 | Y7-F38 HydrophobicContact CD1-CD2 4.18Å; T8-F38 WeakPolarHBondContact O-CD1 3.41Å; T8-F38 WeakPolarHBondContact O-CE1 3.31Å; L32-F38 HydrophobicContact CB-CB 4.42Å; L32-F38 WeakPolarHBondContact O-CB 3.41Å; A34-F38 CarbonylContact C-O 3.59Å; A34-F38 WeakPolarHBondContact CA-O 3.38Å; A34-F38 PolarHBondContact O-N 3.17Å; F38-F40 HydrophobicContact CE1-CB 3.94Å; F38-F40 HydrophobicContact CE1-CD2 4.28Å; F38-F40 HydrophobicContact CZ-CD2 4.38Å; F38-T43 HydrophobicContact CD2-CG2 3.77Å; F38-T43 HydrophobicContact CE2-CG2 4.18Å; F38-N44 HydrophobicContact CE2-CB 4.12Å; F38-N44 HydrophobicContact CZ-CB 4.11Å; F38-F49 HydrophobicContact CE2-CE2 4.01Å; F38-F49 HydrophobicContact CE2-CZ 4.33Å; F38-V58 HydrophobicContact CE1-CG1 4.38Å; F38-V58 HydrophobicContact CE2-CG1 3.98Å; F38-V58 HydrophobicContact CZ-CG1 3.51Å; F38-V58 HydrophobicContact CZ-CG2 4.45Å | ||
| 39 | H | 93.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | trans | -112.3 | 107 | 171.1 | -168 | -42.5 | 0 | 0 | 0 | 109 | P35 G41 Q42 T43 | P35-H39 HydrophobicContact CG-CB 4.28Å; H39-G41 PolarHBondContact O-N 3.12Å; H39-Q42 HydrophobicContact CB-CB 4.18Å; H39-Q42 PolarHBondContact CE1-NE2 2.91Å; H39-Q42 PolarHBondContact NE2-NE2 3.39Å; H39-Q42 PolarHBondContact O-N 2.94Å; H39-T43 PolarHBondContact N-OG1 2.86Å; H39-T43 PolarHBondContact O-N 2.79Å; H39-T43 PolarHBondContact O-OG1 2.93Å | ||
| 40 | F | 87.3 | Confident | 94.5 | Very high | 112 Ų | 112 | 72.1 Ų | 72.1 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.9 | 178.3 | -176.7 | -115.7 | 0 | 0 | 0 | 111 | Y9 F38 Q42 V58 | Y9-F40 HydrophobicContact CD1-CD1 4.4Å; Y9-F40 AromaticContact CD1-CD2 3.74Å; Y9-F40 HydrophobicContact CD1-CD2 3.74Å; Y9-F40 HydrophobicContact CD1-CE1 4.36Å; Y9-F40 AromaticContact CD1-CE2 3.71Å; Y9-F40 HydrophobicContact CD1-CE2 3.71Å; Y9-F40 HydrophobicContact CD1-CG 4.1Å; Y9-F40 HydrophobicContact CD1-CZ 4.03Å; Y9-F40 HydrophobicContact CE1-CE2 4.09Å; Y9-F40 HydrophobicContact CE1-CZ 4.19Å; Y9-F40 HydrophobicContact CG-CG 4.47Å; F38-F40 HydrophobicContact CE1-CB 3.94Å; F38-F40 HydrophobicContact CE1-CD2 4.28Å; F38-F40 HydrophobicContact CZ-CD2 4.38Å; F40-Q42 PolarHBondContact O-N 2.87Å; F40-V58 HydrophobicContact CD2-CG2 3.98Å; F40-V58 HydrophobicContact CE2-CG2 3.82Å |
| 41 | G | 85.8 | Confident | 94.5 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -18.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H39 N44 R45 | H39-G41 PolarHBondContact O-N 3.12Å; G41-N44 PolarHBondContact N-OD1 2.99Å; G41-R45 WeakPolarHBondContact O-CG 3.34Å |
| 42 | Q | 92.8 | Very high | 94.5 | Very high | 120 Ų | 120 | 75.5 Ų | 75.5 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -64 | 178 | -61 | -177.2 | 18.2 | 0 | 0 | 111.4 | H39 F40 N44 R45 T46 | H39-Q42 HydrophobicContact CB-CB 4.18Å; H39-Q42 PolarHBondContact CE1-NE2 2.91Å; H39-Q42 PolarHBondContact NE2-NE2 3.39Å; H39-Q42 PolarHBondContact O-N 2.94Å; F40-Q42 PolarHBondContact O-N 2.87Å; Q42-N44 VanDerWaalsContact C-N 3.33Å; Q42-N44 PolarHBondContact O-N 2.66Å; Q42-R45 PolarHBondContact O-N 2.73Å; Q42-T46 WeakPolarHBondContact O-CG2 3.48Å; Q42-T46 PolarHBondContact O-N 3.03Å |
| 43 | T | 92.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 74 Ų | 74 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -58.4 | -43.3 | -175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | F38 H39 R45 T46 F49 | F38-T43 HydrophobicContact CD2-CG2 3.77Å; F38-T43 HydrophobicContact CE2-CG2 4.18Å; H39-T43 PolarHBondContact N-OG1 2.86Å; H39-T43 PolarHBondContact O-N 2.79Å; H39-T43 PolarHBondContact O-OG1 2.93Å; T43-R45 PolarHBondContact O-N 2.97Å; T43-R45 VanDerWaalsContact O-N 3.08Å; T43-T46 PolarHBondContact O-N 3.49Å; T43-F49 HydrophobicContact CG2-CD2 4.27Å; T43-F49 WeakPolarHBondContact O-CB 3.36Å |
| 44 | N | 93.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -73.2 | 2.2 | 180 | 65.1 | -70.3 | 0 | 0 | 0 | 114.6 | F38 G41 Q42 F49 G56 V58 | F38-N44 HydrophobicContact CE2-CB 4.12Å; F38-N44 HydrophobicContact CZ-CB 4.11Å; G41-N44 PolarHBondContact N-OD1 2.99Å; Q42-N44 VanDerWaalsContact C-N 3.33Å; Q42-N44 PolarHBondContact O-N 2.66Å; N44-F49 HydrophobicContact CB-CD1 4.03Å; N44-F49 HydrophobicContact CB-CE1 3.77Å; N44-F49 HydrophobicContact CB-CZ 4.08Å; N44-G56 PolarHBondContact ND2-O 3.31Å; N44-G56 WeakPolarHBondContact O-CA 3.28Å; N44-V58 HydrophobicContact CB-CG1 4.42Å |
| 45 | R | 94 | Very high | 94.3 | Very high | 158 Ų | 158 | 75.4 Ų | 75.4 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -114 | -3 | 177 | -61 | -60.1 | -172 | -173.1 | 0.3 | 113.1 | G41 Q42 T43 | G41-R45 WeakPolarHBondContact O-CG 3.34Å; Q42-R45 PolarHBondContact O-N 2.73Å; T43-R45 PolarHBondContact O-N 2.97Å; T43-R45 VanDerWaalsContact O-N 3.08Å |
| 46 | T | 95.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.5 | 154.1 | 178.9 | 82.1 | 0 | 0 | 0 | 0 | 111.6 | Q42 T43 E48 F49 L50 | Q42-T46 WeakPolarHBondContact O-CG2 3.48Å; Q42-T46 PolarHBondContact O-N 3.03Å; T43-T46 PolarHBondContact O-N 3.49Å; T46-E48 WeakPolarHBondContact CB-OE2 3.31Å; T46-E48 PolarHBondContact O-N 3.44Å; T46-E48 PolarHBondContact OG1-OE2 3.43Å; T46-F49 PolarHBondContact O-N 3.42Å; T46-F49 PolarHBondContact OG1-N 3.02Å; T46-L50 WeakPolarHBondContact O-CG 3.24Å; T46-L50 PolarHBondContact O-N 2.87Å |
| 47 | P | 97.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 71.7 Ų | 71.7 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57 | -34.4 | 176.9 | -25.5 | 35.5 | 0 | 0 | 0 | 113.6 | R51 | P47-R51 WeakPolarHBondContact O-CB 3.17Å; P47-R51 PolarHBondContact O-N 3.44Å |
| 48 | E | 97 | Very high | 94.3 | Very high | 104 Ų | 104 | 66.6 Ų | 66.6 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 179.5 | -56.6 | 69 | -143.2 | 0 | 0 | 111.4 | T46 | T46-E48 WeakPolarHBondContact CB-OE2 3.31Å; T46-E48 PolarHBondContact O-N 3.44Å; T46-E48 PolarHBondContact OG1-OE2 3.43Å |
| 49 | F | 97.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.8 | -46 | 177.3 | -167 | -83.3 | 0 | 0 | 0 | 111 | Y7 F38 T43 N44 T46 R51 K52 F53 V58 A60 | Y7-F49 HydrophobicContact CD1-CE2 4.42Å; Y7-F49 HydrophobicContact CD2-CE2 4.2Å; Y7-F49 AromaticContact CG-CE2 3.95Å; Y7-F49 HydrophobicContact CG-CE2 3.95Å; F38-F49 HydrophobicContact CE2-CE2 4.01Å; F38-F49 HydrophobicContact CE2-CZ 4.33Å; T43-F49 HydrophobicContact CG2-CD2 4.27Å; T43-F49 WeakPolarHBondContact O-CB 3.36Å; N44-F49 HydrophobicContact CB-CD1 4.03Å; N44-F49 HydrophobicContact CB-CE1 3.77Å; N44-F49 HydrophobicContact CB-CZ 4.08Å; T46-F49 PolarHBondContact O-N 3.42Å; T46-F49 PolarHBondContact OG1-N 3.02Å; F49-R51 PolarHBondContact O-N 3.21Å; F49-K52 PolarHBondContact O-N 2.91Å; F49-F53 HydrophobicContact CD1-CB 3.91Å; F49-F53 AromaticContact CD1-CD2 3.72Å; F49-F53 HydrophobicContact CD1-CD2 3.72Å; F49-F53 HydrophobicContact CD1-CG 4.3Å; F49-F53 AromaticContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CE2 4.29Å; F49-F53 HydrophobicContact CE1-CB 3.61Å; F49-F53 AromaticContact CE1-CD2 3.45Å; F49-F53 HydrophobicContact CE1-CD2 3.45Å; F49-F53 VanDerWaalsContact CE1-CD2 3.45Å; F49-F53 HydrophobicContact CE1-CE2 4.45Å; F49-F53 AromaticContact CE1-CG 3.89Å; F49-F53 HydrophobicContact CE1-CG 3.89Å; F49-F53 AromaticContact CE2-CD2 3.66Å; F49-F53 HydrophobicContact CE2-CD2 3.66Å; F49-F53 AromaticContact CE2-CE2 3.9Å; F49-F53 HydrophobicContact CE2-CE2 3.9Å; F49-F53 AromaticContact CG-CD2 3.97Å; F49-F53 HydrophobicContact CG-CD2 3.97Å; F49-F53 HydrophobicContact CZ-CB 4.34Å; F49-F53 AromaticContact CZ-CD2 3.42Å; F49-F53 HydrophobicContact CZ-CD2 3.42Å; F49-F53 VanDerWaalsContact CZ-CD2 3.42Å; F49-F53 HydrophobicContact CZ-CE2 4Å; F49-F53 HydrophobicContact CZ-CG 4.14Å; F49-F53 PolarHBondContact O-N 3.44Å; F49-V58 HydrophobicContact CZ-CG1 4.1Å; F49-A60 HydrophobicContact CE1-CB 4.31Å; F49-A60 HydrophobicContact CZ-CB 3.67Å |
| 50 | L | 97 | Very high | 94.7 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -27.8 | -179.7 | -69.2 | 173 | 0 | 0 | 0 | 112.9 | T46 K52 F53 P54 | T46-L50 WeakPolarHBondContact O-CG 3.24Å; T46-L50 PolarHBondContact O-N 2.87Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 2.92Å; L50-F53 CarbonylContact O-C 3.55Å; L50-P54 VanDerWaalsContact O-CA 3.29Å; L50-P54 WeakPolarHBondContact O-CA 3.37Å |
| 51 | R | 98 | Very high | 95.2 | Very high | 176 Ų | 176 | 57.6 Ų | 57.6 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.1 | -37.5 | 172.9 | -167 | -174 | -49.7 | 119.2 | 7.2 | 112.5 | P47 F49 | P47-R51 WeakPolarHBondContact O-CB 3.17Å; P47-R51 PolarHBondContact O-N 3.44Å; F49-R51 PolarHBondContact O-N 3.21Å |
| 52 | K | 97.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -87.4 | -34.8 | 177.8 | -61.7 | -178.5 | -173.2 | -177.8 | 0 | 112 | F49 L50 E62 | F49-K52 PolarHBondContact O-N 2.91Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 2.92Å; K52-E62 VanDerWaalsContact CE-OE1 3.32Å; K52-E62 WeakPolarHBondContact CE-OE1 3.35Å; K52-E62 IonicContact NZ-OE1 2.64Å; K52-E62 PolarHBondContact NZ-OE1 3.37Å; K52-E62 IonicContact NZ-OE2 3.29Å; K52-E62 PolarHBondContact NZ-OE2 3.32Å |
| 53 | F | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | trans | -131.8 | 79.4 | -172.3 | -50.1 | -61.7 | 0 | 0 | 0 | 110.7 | Y7 F49 L50 A55 G56 A60 F61 E62 C68 F70 | Y7-F53 AromaticContact CD2-CE2 3.91Å; Y7-F53 HydrophobicContact CD2-CE2 3.91Å; Y7-F53 HydrophobicContact CD2-CZ 4.15Å; Y7-F53 AromaticContact CE2-CE2 3.94Å; Y7-F53 HydrophobicContact CE2-CE2 3.94Å; Y7-F53 HydrophobicContact CE2-CZ 4.12Å; F49-F53 HydrophobicContact CD1-CB 3.91Å; F49-F53 AromaticContact CD1-CD2 3.72Å; F49-F53 HydrophobicContact CD1-CD2 3.72Å; F49-F53 HydrophobicContact CD1-CG 4.3Å; F49-F53 AromaticContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CE2 4.29Å; F49-F53 HydrophobicContact CE1-CB 3.61Å; F49-F53 AromaticContact CE1-CD2 3.45Å; F49-F53 HydrophobicContact CE1-CD2 3.45Å; F49-F53 VanDerWaalsContact CE1-CD2 3.45Å; F49-F53 HydrophobicContact CE1-CE2 4.45Å; F49-F53 AromaticContact CE1-CG 3.89Å; F49-F53 HydrophobicContact CE1-CG 3.89Å; F49-F53 AromaticContact CE2-CD2 3.66Å; F49-F53 HydrophobicContact CE2-CD2 3.66Å; F49-F53 AromaticContact CE2-CE2 3.9Å; F49-F53 HydrophobicContact CE2-CE2 3.9Å; F49-F53 AromaticContact CG-CD2 3.97Å; F49-F53 HydrophobicContact CG-CD2 3.97Å; F49-F53 HydrophobicContact CZ-CB 4.34Å; F49-F53 AromaticContact CZ-CD2 3.42Å; F49-F53 HydrophobicContact CZ-CD2 3.42Å; F49-F53 VanDerWaalsContact CZ-CD2 3.42Å; F49-F53 HydrophobicContact CZ-CE2 4Å; F49-F53 HydrophobicContact CZ-CG 4.14Å; F49-F53 PolarHBondContact O-N 3.44Å; L50-F53 CarbonylContact O-C 3.55Å; F53-A55 PolarHBondContact O-N 3.43Å; F53-A55 VanDerWaalsContact O-N 3.07Å; F53-G56 PolarHBondContact O-N 3.12Å; F53-A60 HydrophobicContact CB-CB 4.39Å; F53-A60 HydrophobicContact CD1-CB 3.71Å; F53-A60 HydrophobicContact CD2-CB 3.79Å; F53-A60 HydrophobicContact CE1-CB 3.8Å; F53-A60 HydrophobicContact CE2-CB 3.87Å; F53-A60 HydrophobicContact CG-CB 3.68Å; F53-A60 HydrophobicContact CZ-CB 3.86Å; F53-F61 VanDerWaalsContact CE1-O 3.28Å; F53-F61 WeakPolarHBondContact CE1-O 3.4Å; F53-E62 HydrophobicContact CZ-CB 4.1Å; F53-C68 HydrophobicContact CE1-CB 3.95Å; F53-F70 HydrophobicContact CD1-CB 4.32Å | ||
| 54 | P | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 55 Ų | 55 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.7 | -170.5 | -26.4 | 35.1 | 0 | 0 | 0 | 114.7 | L50 G56 | L50-P54 VanDerWaalsContact O-CA 3.29Å; L50-P54 WeakPolarHBondContact O-CA 3.37Å; P54-G56 PolarHBondContact O-N 3.1Å |
| 55 | A | 92.4 | Very high | 96.6 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F53 K57 F70 | F53-A55 PolarHBondContact O-N 3.43Å; F53-A55 VanDerWaalsContact O-N 3.07Å; A55-K57 HydrophobicContact CB-CB 4.43Å; A55-K57 HydrophobicContact CB-CD 4.32Å; A55-K57 HydrophobicContact CB-CG 4.23Å; A55-K57 PolarHBondContact O-N 3.3Å; A55-K57 VanDerWaalsContact O-N 3.14Å; A55-F70 HydrophobicContact CB-CD2 4.19Å |
| 56 | G | 94.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | 61.2 | 19.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N44 F53 P54 | N44-G56 PolarHBondContact ND2-O 3.31Å; N44-G56 WeakPolarHBondContact O-CA 3.28Å; F53-G56 PolarHBondContact O-N 3.12Å; P54-G56 PolarHBondContact O-N 3.1Å | ||
| 57 | K | 91.4 | Very high | 96.9 | Very high | 127 Ų | 127 | 57.5 Ų | 57.5 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | trans | -101.6 | 164.2 | -179.4 | -65.2 | 178.4 | -169.6 | 171 | 0 | 111 | A55 E71 | A55-K57 HydrophobicContact CB-CB 4.43Å; A55-K57 HydrophobicContact CB-CD 4.32Å; A55-K57 HydrophobicContact CB-CG 4.23Å; A55-K57 PolarHBondContact O-N 3.3Å; A55-K57 VanDerWaalsContact O-N 3.14Å; K57-E71 IonicContact NZ-OE1 2.81Å | ||
| 58 | V | 93.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -129.9 | 149.8 | 169.4 | -69.2 | 0 | 0 | 0 | 0 | 111 | Y7 Y9 F38 F40 N44 F49 | Y7-V58 WeakPolarHBondContact O-CG1 3.44Å; Y9-V58 HydrophobicContact CD1-CG2 3.62Å; Y9-V58 HydrophobicContact CE1-CG2 3.84Å; F38-V58 HydrophobicContact CE1-CG1 4.38Å; F38-V58 HydrophobicContact CE2-CG1 3.98Å; F38-V58 HydrophobicContact CZ-CG1 3.51Å; F38-V58 HydrophobicContact CZ-CG2 4.45Å; F40-V58 HydrophobicContact CD2-CG2 3.98Å; F40-V58 HydrophobicContact CE2-CG2 3.82Å; N44-V58 HydrophobicContact CB-CG1 4.42Å; F49-V58 HydrophobicContact CZ-CG1 4.1Å |
| 59 | P | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | S | Bend | cis | -68.8 | 148.4 | 7 | 29.7 | -36.6 | 0 | 0 | 0 | 114 | L6 Y7 R14 A15 I75 | L6-P59 HydrophobicContact CD1-CB 3.92Å; L6-P59 HydrophobicContact CG-CB 4.37Å; Y7-P59 WeakPolarHBondContact O-CA 3.38Å; R14-P59 HydrophobicContact CB-CG 4.14Å; A15-P59 HydrophobicContact CB-CB 4.2Å; P59-I75 HydrophobicContact CB-CD1 4.1Å; P59-I75 HydrophobicContact CG-CD1 4.22Å; P59-I75 VanDerWaalsContact O-CD1 3.28Å; P59-I75 WeakPolarHBondContact O-CD1 3.46Å |
| 60 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L6 Y7 F49 F53 | L6-A60 WeakPolarHBondContact CA-O 3.3Å; Y7-A60 HydrophobicContact CD2-CB 4.5Å; Y7-A60 WeakPolarHBondContact CD2-O 3.46Å; Y7-A60 PolarHBondContact N-O 3.13Å; Y7-A60 PolarHBondContact O-N 3.39Å; Y7-A60 VanDerWaalsContact O-N 3.08Å; F49-A60 HydrophobicContact CE1-CB 4.31Å; F49-A60 HydrophobicContact CZ-CB 3.67Å; F53-A60 HydrophobicContact CB-CB 4.39Å; F53-A60 HydrophobicContact CD1-CB 3.71Å; F53-A60 HydrophobicContact CD2-CB 3.79Å; F53-A60 HydrophobicContact CE1-CB 3.8Å; F53-A60 HydrophobicContact CE2-CB 3.87Å; F53-A60 HydrophobicContact CG-CB 3.68Å; F53-A60 HydrophobicContact CZ-CB 3.86Å |
| 61 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.3 | -174.3 | 179.1 | -91 | 0 | 0 | 0 | 111.5 | A2 T5 L6 V29 F53 C68 V69 I75 Y78 V79 | A2-F61 HydrophobicContact CB-CZ 4.49Å; T5-F61 WeakPolarHBondContact O-CA 3.25Å; L6-F61 HydrophobicContact CD1-CB 4.02Å; L6-F61 HydrophobicContact CD1-CD2 4.27Å; V29-F61 HydrophobicContact CG1-CE2 4.39Å; V29-F61 HydrophobicContact CG2-CE2 4.37Å; F53-F61 VanDerWaalsContact CE1-O 3.28Å; F53-F61 WeakPolarHBondContact CE1-O 3.4Å; F61-C68 WeakPolarHBondContact O-CA 3.32Å; F61-V69 PolarHBondContact N-O 2.78Å; F61-V69 PolarHBondContact O-N 3.21Å; F61-I75 HydrophobicContact CB-CB 4.42Å; F61-I75 HydrophobicContact CB-CD1 4Å; F61-I75 HydrophobicContact CB-CG1 3.87Å; F61-I75 HydrophobicContact CB-CG2 3.71Å; F61-I75 HydrophobicContact CD2-CG2 4.43Å; F61-I75 HydrophobicContact CG-CG2 4.19Å; F61-Y78 HydrophobicContact CD1-CD1 4.24Å; F61-Y78 HydrophobicContact CD1-CE1 4.37Å; F61-Y78 AromaticContact CE1-CD1 3.91Å; F61-Y78 HydrophobicContact CE1-CD1 3.91Å; F61-Y78 AromaticContact CE1-CE1 3.7Å; F61-Y78 HydrophobicContact CE1-CE1 3.7Å; F61-Y78 HydrophobicContact CZ-CE1 4.43Å; F61-V79 HydrophobicContact CE2-CG1 4.23Å; F61-V79 HydrophobicContact CZ-CG1 4.42Å |
| 62 | E | 98.7 | Very high | 96.9 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.3 | 171.3 | 176.8 | 171.8 | -153.6 | 0 | 0 | 108.7 | G4 T5 Y7 K52 F53 | G4-E62 CarbonylContact C-O 3.44Å; G4-E62 VanDerWaalsContact CA-O 3.28Å; G4-E62 WeakPolarHBondContact CA-O 3.47Å; T5-E62 PolarHBondContact N-O 2.89Å; T5-E62 PolarHBondContact O-N 2.91Å; Y7-E62 HydrophobicContact CE2-CB 4.07Å; Y7-E62 PolarHBondContact OH-OE2 2.96Å; K52-E62 VanDerWaalsContact CE-OE1 3.32Å; K52-E62 WeakPolarHBondContact CE-OE1 3.35Å; K52-E62 IonicContact NZ-OE1 2.64Å; K52-E62 PolarHBondContact NZ-OE1 3.37Å; K52-E62 IonicContact NZ-OE2 3.29Å; K52-E62 PolarHBondContact NZ-OE2 3.32Å; F53-E62 HydrophobicContact CZ-CB 4.1Å |
| 63 | G | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 152.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A3 D65 G66 F67 | A3-G63 WeakPolarHBondContact O-CA 3.15Å; G63-D65 PolarHBondContact O-N 2.97Å; G63-D65 VanDerWaalsContact O-N 3.12Å; G63-G66 WeakPolarHBondContact O-CA 3.36Å; G63-G66 PolarHBondContact O-N 3.24Å; G63-F67 PolarHBondContact N-O 3.19Å |
| 64 | D | 98.2 | Very high | 97 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.1 | 175.5 | -67.2 | -33.9 | 0 | 0 | 0 | 112.2 | A3 R30 | A3-D64 PolarHBondContact O-N 3Å; R30-D64 IonicContact NH2-OD1 3.93Å |
| 65 | D | 97.7 | Very high | 97.2 | Very high | 122 Ų | 122 | 44.2 Ų | 44.2 | 65% | 0.652 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.5 | 171.3 | 64.7 | -6.6 | 0 | 0 | 0 | 113.9 | G63 F67 | G63-D65 PolarHBondContact O-N 2.97Å; G63-D65 VanDerWaalsContact O-N 3.12Å; D65-F67 VanDerWaalsContact OD1-CB 3.31Å; D65-F67 WeakPolarHBondContact OD1-CB 3.39Å; D65-F67 PolarHBondContact OD1-N 2.81Å |
| 66 | G | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 45% | 0.454 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 87 | -0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | G63 C68 | G63-G66 WeakPolarHBondContact O-CA 3.36Å; G63-G66 PolarHBondContact O-N 3.24Å; G66-C68 PolarHBondContact O-N 3.13Å; G66-C68 PolarHBondContact O-SG 3.42Å; G66-C68 VanDerWaalsContact O-SG 3.41Å |
| 67 | F | 98.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | trans | -68.4 | 120.6 | 177.9 | -179.7 | -112.7 | 0 | 0 | 0 | 111.4 | G63 D65 V69 Y78 | G63-F67 PolarHBondContact N-O 3.19Å; D65-F67 VanDerWaalsContact OD1-CB 3.31Å; D65-F67 WeakPolarHBondContact OD1-CB 3.39Å; D65-F67 PolarHBondContact OD1-N 2.81Å; F67-V69 HydrophobicContact CD1-CG2 3.75Å; F67-V69 HydrophobicContact CE1-CG2 3.15Å; F67-V69 HydrophobicContact CZ-CG2 3.75Å; F67-Y78 HydrophobicContact CD1-CD1 4.49Å; F67-Y78 HydrophobicContact CD1-CD2 4.3Å; F67-Y78 AromaticContact CD1-CE1 3.86Å; F67-Y78 HydrophobicContact CD1-CE1 3.86Å; F67-Y78 AromaticContact CD1-CE2 3.62Å; F67-Y78 HydrophobicContact CD1-CE2 3.62Å; F67-Y78 AromaticContact CD1-CZ 3.37Å; F67-Y78 WeakPolarHBondContact CD1-OH 3.46Å; F67-Y78 HydrophobicContact CE1-CD1 4.41Å; F67-Y78 AromaticContact CE1-CD2 3.67Å; F67-Y78 HydrophobicContact CE1-CD2 3.67Å; F67-Y78 HydrophobicContact CE1-CE1 4.15Å; F67-Y78 AromaticContact CE1-CE2 3.34Å; F67-Y78 HydrophobicContact CE1-CE2 3.34Å; F67-Y78 HydrophobicContact CE1-CG 4.19Å; F67-Y78 AromaticContact CE1-CZ 3.62Å; F67-Y78 HydrophobicContact CZ-CE2 4.36Å | ||
| 68 | C | 98.5 | Very high | 98 | Very high | 41 Ų | 41 | 46 Ų | 46 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.9 | -175.6 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | F53 F61 G66 | F53-C68 HydrophobicContact CE1-CB 3.95Å; F61-C68 WeakPolarHBondContact O-CA 3.32Å; G66-C68 PolarHBondContact O-N 3.13Å; G66-C68 PolarHBondContact O-SG 3.42Å; G66-C68 VanDerWaalsContact O-SG 3.41Å |
| 69 | V | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.3 | 175 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | F61 F67 A74 I75 Y78 | F61-V69 PolarHBondContact N-O 2.78Å; F61-V69 PolarHBondContact O-N 3.21Å; F67-V69 HydrophobicContact CD1-CG2 3.75Å; F67-V69 HydrophobicContact CE1-CG2 3.15Å; F67-V69 HydrophobicContact CZ-CG2 3.75Å; V69-A74 HydrophobicContact CG1-CB 3.68Å; V69-I75 HydrophobicContact CB-CG1 4.01Å; V69-I75 HydrophobicContact CG1-CG1 3.73Å; V69-Y78 HydrophobicContact CG2-CD1 4.48Å; V69-Y78 HydrophobicContact CG2-CG 4.38Å |
| 70 | F | 97.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 167.8 | 167.3 | 64.9 | -87.4 | 0 | 0 | 0 | 109.9 | F53 A55 | F53-F70 HydrophobicContact CD1-CB 4.32Å; A55-F70 HydrophobicContact CB-CD2 4.19Å |
| 71 | E | 95.9 | Very high | 98.3 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 71.8 | 126.5 | -167.7 | -63.6 | -58.1 | 143.7 | 0 | 0 | 115.1 | K57 N73 A74 I75 | K57-E71 IonicContact NZ-OE1 2.81Å; E71-N73 VanDerWaalsContact C-N 3.35Å; E71-N73 PolarHBondContact O-N 2.98Å; E71-A74 PolarHBondContact O-N 3.35Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.32Å; E71-I75 VanDerWaalsContact O-N 3.09Å |
| 72 | S | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -34.4 | -169.4 | 65.3 | 0 | 0 | 0 | 0 | 114.8 | K17 A76 | K17-S72 WeakPolarHBondContact CE-OG 3.24Å; K17-S72 PolarHBondContact NZ-OG 2.99Å; S72-A76 WeakPolarHBondContact O-CB 3.24Å; S72-A76 PolarHBondContact O-N 2.9Å |
| 73 | N | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 177.9 | -65.8 | -18.3 | 0 | 0 | 0 | 111.4 | K17 E71 I75 A76 Y77 V99 D103 | K17-N73 PolarHBondContact NZ-OD1 3.09Å; E71-N73 VanDerWaalsContact C-N 3.35Å; E71-N73 PolarHBondContact O-N 2.98Å; N73-I75 VanDerWaalsContact C-N 3.35Å; N73-A76 PolarHBondContact O-N 3.49Å; N73-Y77 WeakPolarHBondContact O-CB 3.48Å; N73-Y77 PolarHBondContact O-N 3.21Å; N73-V99 HydrophobicContact CB-CG1 4.19Å; N73-V99 WeakPolarHBondContact ND2-CG1 3.43Å; N73-D103 PolarHBondContact ND2-OD2 3.05Å |
| 74 | A | 98.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V69 E71 Y77 Y78 | V69-A74 HydrophobicContact CG1-CB 3.68Å; E71-A74 PolarHBondContact O-N 3.35Å; A74-Y77 PolarHBondContact O-N 3.37Å; A74-Y78 WeakPolarHBondContact O-CB 3.44Å; A74-Y78 PolarHBondContact O-N 2.64Å |
| 75 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -50 | 175 | -60.9 | 167.7 | 0 | 0 | 0 | 110.5 | L6 A18 P59 F61 V69 E71 N73 Y77 Y78 V79 | L6-I75 HydrophobicContact CD1-CD1 4.26Å; L6-I75 HydrophobicContact CD1-CG2 3.79Å; A18-I75 HydrophobicContact CB-CG2 3.76Å; P59-I75 HydrophobicContact CB-CD1 4.1Å; P59-I75 HydrophobicContact CG-CD1 4.22Å; P59-I75 VanDerWaalsContact O-CD1 3.28Å; P59-I75 WeakPolarHBondContact O-CD1 3.46Å; F61-I75 HydrophobicContact CB-CB 4.42Å; F61-I75 HydrophobicContact CB-CD1 4Å; F61-I75 HydrophobicContact CB-CG1 3.87Å; F61-I75 HydrophobicContact CB-CG2 3.71Å; F61-I75 HydrophobicContact CD2-CG2 4.43Å; F61-I75 HydrophobicContact CG-CG2 4.19Å; V69-I75 HydrophobicContact CB-CG1 4.01Å; V69-I75 HydrophobicContact CG1-CG1 3.73Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.32Å; E71-I75 VanDerWaalsContact O-N 3.09Å; N73-I75 VanDerWaalsContact C-N 3.35Å; I75-Y77 VanDerWaalsContact C-N 3.29Å; I75-Y77 PolarHBondContact O-N 3.47Å; I75-Y78 PolarHBondContact O-N 3.36Å; I75-Y78 VanDerWaalsContact O-N 3.15Å; I75-V79 WeakPolarHBondContact O-CG2 3.45Å; I75-V79 PolarHBondContact O-N 3.21Å |
| 76 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | K17 A18 S72 N73 S80 L159 | K17-A76 HydrophobicContact CB-CB 4.1Å; A18-A76 HydrophobicContact CB-CB 4.38Å; S72-A76 WeakPolarHBondContact O-CB 3.24Å; S72-A76 PolarHBondContact O-N 2.9Å; N73-A76 PolarHBondContact O-N 3.49Å; A76-S80 WeakPolarHBondContact O-CB 3.4Å; A76-S80 PolarHBondContact O-N 3.19Å; A76-S80 PolarHBondContact O-OG 3.04Å; A76-L159 HydrophobicContact CB-CD2 3.87Å |
| 77 | Y | 98.8 | Very high | 98.3 | Very high | 132 Ų | 132 | 48.1 Ų | 48.1 | 52% | 0.518 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 172.3 | -175.1 | -86.1 | 0 | 0 | 0 | 111.5 | N73 A74 I75 V79 S80 R85 L159 | N73-Y77 WeakPolarHBondContact O-CB 3.48Å; N73-Y77 PolarHBondContact O-N 3.21Å; A74-Y77 PolarHBondContact O-N 3.37Å; I75-Y77 VanDerWaalsContact C-N 3.29Å; I75-Y77 PolarHBondContact O-N 3.47Å; Y77-V79 VanDerWaalsContact C-N 3.34Å; Y77-V79 PolarHBondContact O-N 2.82Å; Y77-S80 WeakPolarHBondContact O-CB 3.28Å; Y77-S80 PolarHBondContact O-N 2.88Å; Y77-S80 VanDerWaalsContact O-N 3.1Å; Y77-R85 HydrophobicContact CD2-CB 4.34Å; Y77-R85 HydrophobicContact CD2-CG 3.69Å; Y77-R85 HydrophobicContact CE2-CB 3.77Å; Y77-R85 HydrophobicContact CE2-CG 3.47Å; Y77-R85 VanDerWaalsContact CE2-CG 3.47Å; Y77-R85 HydrophobicContact CG-CG 4.35Å; Y77-R85 PolarHBondContact O-NE 2.74Å; Y77-R85 PolarHBondContact O-NH2 2.92Å; Y77-L159 HydrophobicContact CD2-CD1 4.27Å |
| 78 | Y | 98.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | -176.7 | -177 | -105.9 | 0 | 0 | 0 | 112.8 | A2 F61 F67 V69 A74 I75 S80 R85 | A2-Y78 HydrophobicContact CB-CD1 3.98Å; A2-Y78 HydrophobicContact CB-CE1 3.65Å; F61-Y78 HydrophobicContact CD1-CD1 4.24Å; F61-Y78 HydrophobicContact CD1-CE1 4.37Å; F61-Y78 AromaticContact CE1-CD1 3.91Å; F61-Y78 HydrophobicContact CE1-CD1 3.91Å; F61-Y78 AromaticContact CE1-CE1 3.7Å; F61-Y78 HydrophobicContact CE1-CE1 3.7Å; F61-Y78 HydrophobicContact CZ-CE1 4.43Å; F67-Y78 HydrophobicContact CD1-CD1 4.49Å; F67-Y78 HydrophobicContact CD1-CD2 4.3Å; F67-Y78 AromaticContact CD1-CE1 3.86Å; F67-Y78 HydrophobicContact CD1-CE1 3.86Å; F67-Y78 AromaticContact CD1-CE2 3.62Å; F67-Y78 HydrophobicContact CD1-CE2 3.62Å; F67-Y78 AromaticContact CD1-CZ 3.37Å; F67-Y78 WeakPolarHBondContact CD1-OH 3.46Å; F67-Y78 HydrophobicContact CE1-CD1 4.41Å; F67-Y78 AromaticContact CE1-CD2 3.67Å; F67-Y78 HydrophobicContact CE1-CD2 3.67Å; F67-Y78 HydrophobicContact CE1-CE1 4.15Å; F67-Y78 AromaticContact CE1-CE2 3.34Å; F67-Y78 HydrophobicContact CE1-CE2 3.34Å; F67-Y78 HydrophobicContact CE1-CG 4.19Å; F67-Y78 AromaticContact CE1-CZ 3.62Å; F67-Y78 HydrophobicContact CZ-CE2 4.36Å; V69-Y78 HydrophobicContact CG2-CD1 4.48Å; V69-Y78 HydrophobicContact CG2-CG 4.38Å; A74-Y78 WeakPolarHBondContact O-CB 3.44Å; A74-Y78 PolarHBondContact O-N 2.64Å; I75-Y78 PolarHBondContact O-N 3.36Å; I75-Y78 VanDerWaalsContact O-N 3.15Å; Y78-S80 VanDerWaalsContact C-N 3.31Å; Y78-S80 PolarHBondContact O-N 3.33Å; Y78-R85 PolarHBondContact O-NH2 3.25Å |
| 79 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.3 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 114 | A2 A18 A21 A22 S25 A27 V29 F61 I75 Y77 | A2-V79 HydrophobicContact CB-CG1 4.13Å; A18-V79 HydrophobicContact CB-CG2 4.12Å; A18-V79 WeakPolarHBondContact O-CG2 3.24Å; A21-V79 HydrophobicContact CB-CG2 4.1Å; A22-V79 HydrophobicContact CB-CG2 4.49Å; S25-V79 VanDerWaalsContact CB-O 3.27Å; S25-V79 WeakPolarHBondContact CB-O 3.33Å; S25-V79 PolarHBondContact OG-O 2.61Å; A27-V79 HydrophobicContact CB-CB 4.03Å; V29-V79 HydrophobicContact CG2-CB 4.43Å; V29-V79 HydrophobicContact CG2-CG1 4.06Å; F61-V79 HydrophobicContact CE2-CG1 4.23Å; F61-V79 HydrophobicContact CZ-CG1 4.42Å; I75-V79 WeakPolarHBondContact O-CG2 3.45Å; I75-V79 PolarHBondContact O-N 3.21Å; Y77-V79 VanDerWaalsContact C-N 3.34Å; Y77-V79 PolarHBondContact O-N 2.82Å |
| 80 | S | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -80.7 | 165.4 | 177.6 | -72.2 | 0 | 0 | 0 | 0 | 113.6 | A21 A76 Y77 Y78 R85 | A21-S80 WeakPolarHBondContact CB-OG 3.41Å; A76-S80 WeakPolarHBondContact O-CB 3.4Å; A76-S80 PolarHBondContact O-N 3.19Å; A76-S80 PolarHBondContact O-OG 3.04Å; Y77-S80 WeakPolarHBondContact O-CB 3.28Å; Y77-S80 PolarHBondContact O-N 2.88Å; Y77-S80 VanDerWaalsContact O-N 3.1Å; Y78-S80 VanDerWaalsContact C-N 3.31Å; Y78-S80 PolarHBondContact O-N 3.33Å; S80-R85 PolarHBondContact O-NH2 3.14Å |
| 81 | N | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 24% | 0.235 | 27% | 0.268 | C | S | . | . | trans | -93.5 | 178.3 | 164.5 | 62.2 | 18 | 0 | 0 | 0 | 110.7 | M1 E83 L84 R85 | M1-N81 HydrophobicContact CE-CB 3.67Å; N81-E83 PolarHBondContact OD1-N 3.1Å; N81-L84 PolarHBondContact O-N 3.01Å; N81-L84 WeakPolarHBondContact OD1-CB 3.32Å; N81-L84 WeakPolarHBondContact OD1-CG 3.23Å; N81-L84 PolarHBondContact OD1-N 2.88Å; N81-R85 WeakPolarHBondContact O-CD 3.35Å; N81-R85 VanDerWaalsContact O-CG 3.23Å; N81-R85 WeakPolarHBondContact O-CG 3.37Å; N81-R85 PolarHBondContact O-N 3.15Å | ||
| 82 | E | 98.3 | Very high | 98.5 | Very high | 133 Ų | 133 | 49 Ų | 49 | 62% | 0.621 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 180 | -174.5 | 171.8 | -171.1 | 0 | 0 | 112.9 | L84 R85 G86 | E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.36Å; E82-R85 CarbonylContact O-C 3.53Å; E82-R85 WeakPolarHBondContact O-CA 3.39Å; E82-R85 WeakPolarHBondContact O-CB 3.47Å; E82-R85 PolarHBondContact O-N 3.38Å; E82-G86 CarbonylContact O-C 2.99Å; E82-G86 PolarHBondContact O-N 3.1Å |
| 83 | E | 98.2 | Very high | 98.5 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 180 | -68.9 | -63.4 | 152.6 | 0 | 0 | 113.3 | N81 R85 G86 S87 R156 | N81-E83 PolarHBondContact OD1-N 3.1Å; E83-R85 VanDerWaalsContact C-N 3.26Å; E83-R85 PolarHBondContact O-N 2.93Å; E83-G86 PolarHBondContact O-N 3.07Å; E83-S87 PolarHBondContact OE1-OG 3.46Å; E83-S87 PolarHBondContact OE2-OG 3.1Å; E83-R156 VanDerWaalsContact CD-CZ 3.5Å; E83-R156 IonicContact OE1-NH1 2.98Å; E83-R156 WeakPolarHBondContact OE2-CD 3.29Å; E83-R156 IonicContact OE2-CZ 3.97Å; E83-R156 IonicContact OE2-NE 3.78Å; E83-R156 PolarHBondContact OE2-NE 3.25Å; E83-R156 IonicContact OE2-NH1 2.83Å; E83-R156 PolarHBondContact OE2-NH1 3.01Å; E83-R156 IonicContact OE2-NH2 2.95Å |
| 84 | L | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -28.6 | 175.6 | -76.5 | -179 | 0 | 0 | 0 | 113.1 | A21 Y24 N81 E82 V157 L159 I162 | A21-L84 HydrophobicContact CB-CD1 4.09Å; Y24-L84 HydrophobicContact CD2-CD2 4.36Å; Y24-L84 HydrophobicContact CG-CD2 4.24Å; N81-L84 PolarHBondContact O-N 3.01Å; N81-L84 WeakPolarHBondContact OD1-CB 3.32Å; N81-L84 WeakPolarHBondContact OD1-CG 3.23Å; N81-L84 PolarHBondContact OD1-N 2.88Å; E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.36Å; L84-V157 HydrophobicContact CD2-CG1 4.32Å; L84-L159 HydrophobicContact CB-CG 4.34Å; L84-L159 WeakPolarHBondContact O-CB 3.16Å; L84-L159 PolarHBondContact O-N 3.46Å; L84-I162 HydrophobicContact CD1-CD1 4.46Å; L84-I162 HydrophobicContact CD2-CD1 3.87Å |
| 85 | R | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.3 | -20.3 | 179.4 | -64 | 164.8 | 178 | 158.3 | -0.7 | 112 | Y77 Y78 S80 N81 E82 E83 A92 L159 | Y77-R85 HydrophobicContact CD2-CB 4.34Å; Y77-R85 HydrophobicContact CD2-CG 3.69Å; Y77-R85 HydrophobicContact CE2-CB 3.77Å; Y77-R85 HydrophobicContact CE2-CG 3.47Å; Y77-R85 VanDerWaalsContact CE2-CG 3.47Å; Y77-R85 HydrophobicContact CG-CG 4.35Å; Y77-R85 PolarHBondContact O-NE 2.74Å; Y77-R85 PolarHBondContact O-NH2 2.92Å; Y78-R85 PolarHBondContact O-NH2 3.25Å; S80-R85 PolarHBondContact O-NH2 3.14Å; N81-R85 WeakPolarHBondContact O-CD 3.35Å; N81-R85 VanDerWaalsContact O-CG 3.23Å; N81-R85 WeakPolarHBondContact O-CG 3.37Å; N81-R85 PolarHBondContact O-N 3.15Å; E82-R85 CarbonylContact O-C 3.53Å; E82-R85 WeakPolarHBondContact O-CA 3.39Å; E82-R85 WeakPolarHBondContact O-CB 3.47Å; E82-R85 PolarHBondContact O-N 3.38Å; E83-R85 VanDerWaalsContact C-N 3.26Å; E83-R85 PolarHBondContact O-N 2.93Å; R85-A92 WeakPolarHBondContact O-CA 3.41Å; R85-L159 HydrophobicContact CG-CD1 4.33Å |
| 86 | G | 98.3 | Very high | 98.6 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | trans | 102.8 | 114.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E82 E83 T88 | E82-G86 CarbonylContact O-C 2.99Å; E82-G86 PolarHBondContact O-N 3.1Å; E83-G86 PolarHBondContact O-N 3.07Å; G86-T88 VanDerWaalsContact C-N 3.27Å; G86-T88 PolarHBondContact O-N 3.08Å | ||
| 87 | S | 97.3 | Very high | 98.6 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -77.3 | -5.5 | -173.4 | -47 | 0 | 0 | 0 | 0 | 115 | E83 | E83-S87 PolarHBondContact OE1-OG 3.46Å; E83-S87 PolarHBondContact OE2-OG 3.1Å |
| 88 | T | 98.4 | Very high | 98.6 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -129.9 | 159.4 | 172 | 81.8 | 0 | 0 | 0 | 0 | 109.7 | G86 E90 A91 A92 | G86-T88 VanDerWaalsContact C-N 3.27Å; G86-T88 PolarHBondContact O-N 3.08Å; T88-E90 WeakPolarHBondContact CB-OE2 3.25Å; T88-E90 PolarHBondContact O-N 2.8Å; T88-E90 PolarHBondContact OG1-N 2.83Å; T88-E90 PolarHBondContact OG1-OE2 2.9Å; T88-A91 PolarHBondContact O-N 3.4Å; T88-A91 VanDerWaalsContact O-N 3.15Å; T88-A91 PolarHBondContact OG1-N 3.29Å; T88-A92 WeakPolarHBondContact O-CB 3.46Å; T88-A92 PolarHBondContact O-N 3.48Å |
| 89 | P | 98.5 | Very high | 98.6 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.6 | -38.7 | 175.3 | -27.3 | 36.5 | 0 | 0 | 0 | 113.3 | A93 | P89-A93 WeakPolarHBondContact O-CB 3.4Å; P89-A93 PolarHBondContact O-N 2.86Å |
| 90 | E | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 177.8 | -58.6 | 73.3 | -159.4 | 0 | 0 | 111.5 | T88 A93 Q94 | T88-E90 WeakPolarHBondContact CB-OE2 3.25Å; T88-E90 PolarHBondContact O-N 2.8Å; T88-E90 PolarHBondContact OG1-N 2.83Å; T88-E90 PolarHBondContact OG1-OE2 2.9Å; E90-A93 PolarHBondContact O-N 2.86Å; E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 2.88Å |
| 91 | A | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T88 A93 Q94 V95 V153 | T88-A91 PolarHBondContact O-N 3.4Å; T88-A91 VanDerWaalsContact O-N 3.15Å; T88-A91 PolarHBondContact OG1-N 3.29Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.49Å; A91-Q94 PolarHBondContact O-N 2.88Å; A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 3.01Å; A91-V153 HydrophobicContact CB-CG1 4.11Å |
| 92 | A | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R85 T88 Q94 V95 V96 | R85-A92 WeakPolarHBondContact O-CA 3.41Å; T88-A92 WeakPolarHBondContact O-CB 3.46Å; T88-A92 PolarHBondContact O-N 3.48Å; A92-Q94 PolarHBondContact O-N 2.66Å; A92-V95 PolarHBondContact O-N 3.23Å; A92-V96 WeakPolarHBondContact O-CG2 3.22Å; A92-V96 PolarHBondContact O-N 2.95Å |
| 93 | A | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 51 Ų | 51 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | P89 E90 A91 V96 Q97 | P89-A93 WeakPolarHBondContact O-CB 3.4Å; P89-A93 PolarHBondContact O-N 2.86Å; E90-A93 PolarHBondContact O-N 2.86Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.49Å; A93-V96 PolarHBondContact O-N 3.4Å; A93-Q97 PolarHBondContact O-N 3.09Å |
| 94 | Q | 98.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 175.6 | -71.4 | -177.6 | -29.4 | 0 | 0 | 112.6 | E90 A91 A92 Q97 W98 V153 | E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 2.88Å; A91-Q94 PolarHBondContact O-N 2.88Å; A92-Q94 PolarHBondContact O-N 2.66Å; Q94-Q97 WeakPolarHBondContact O-CB 3.02Å; Q94-Q97 PolarHBondContact O-N 3.41Å; Q94-W98 PolarHBondContact O-N 3.11Å; Q94-W98 VanDerWaalsContact O-N 3.11Å; Q94-V153 HydrophobicContact CB-CG1 4.08Å; Q94-V153 HydrophobicContact CB-CG2 3.82Å |
| 95 | V | 98.9 | Very high | 98 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 172.5 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | A91 A92 Q97 W98 V99 V153 T158 L159 | A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 3.01Å; A92-V95 PolarHBondContact O-N 3.23Å; V95-Q97 VanDerWaalsContact C-N 3.32Å; V95-Q97 PolarHBondContact O-N 3.44Å; V95-W98 PolarHBondContact O-N 3.11Å; V95-V99 HydrophobicContact CG1-CG2 4.33Å; V95-V99 WeakPolarHBondContact O-CB 3.45Å; V95-V99 VanDerWaalsContact O-CG2 3.26Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.33Å; V95-V153 HydrophobicContact CG2-CB 4.48Å; V95-V153 HydrophobicContact CG2-CG1 4.31Å; V95-V153 HydrophobicContact CG2-CG2 4.24Å; V95-T158 HydrophobicContact CG2-CG2 4.27Å; V95-L159 HydrophobicContact CG1-CB 3.73Å |
| 96 | V | 98.8 | Very high | 98 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | A92 A93 W98 V99 S100 | A92-V96 WeakPolarHBondContact O-CG2 3.22Å; A92-V96 PolarHBondContact O-N 2.95Å; A93-V96 PolarHBondContact O-N 3.4Å; V96-W98 PolarHBondContact O-N 3.05Å; V96-V99 PolarHBondContact O-N 3.34Å; V96-S100 VanDerWaalsContact O-CB 3.31Å; V96-S100 WeakPolarHBondContact O-CB 3.46Å; V96-S100 PolarHBondContact O-N 2.9Å; V96-S100 PolarHBondContact O-OG 2.75Å |
| 97 | Q | 98.8 | Very high | 98 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.3 | -52.3 | 176.3 | -178.5 | -172.3 | -77.2 | 0 | 0 | 111.6 | A93 Q94 V95 S100 F101 | A93-Q97 PolarHBondContact O-N 3.09Å; Q94-Q97 WeakPolarHBondContact O-CB 3.02Å; Q94-Q97 PolarHBondContact O-N 3.41Å; V95-Q97 VanDerWaalsContact C-N 3.32Å; V95-Q97 PolarHBondContact O-N 3.44Å; Q97-S100 PolarHBondContact O-N 2.73Å; Q97-F101 VanDerWaalsContact O-CB 3.32Å; Q97-F101 WeakPolarHBondContact O-CB 3.41Å; Q97-F101 PolarHBondContact O-N 3.18Å |
| 98 | W | 98.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | -177.4 | -73.5 | 117.5 | 0 | 0 | 0 | 113.3 | Q94 V95 V96 S100 F101 A102 L141 L142 H145 L152 A160 V164 | Q94-W98 PolarHBondContact O-N 3.11Å; Q94-W98 VanDerWaalsContact O-N 3.11Å; V95-W98 PolarHBondContact O-N 3.11Å; V96-W98 PolarHBondContact O-N 3.05Å; W98-S100 VanDerWaalsContact C-N 3.33Å; W98-F101 HydrophobicContact CE3-CB 4.48Å; W98-F101 AromaticContact CE3-CD1 3.8Å; W98-F101 HydrophobicContact CE3-CD1 3.8Å; W98-F101 HydrophobicContact CE3-CE1 4.42Å; W98-F101 HydrophobicContact CE3-CG 4.35Å; W98-F101 AromaticContact CZ3-CD1 3.83Å; W98-F101 HydrophobicContact CZ3-CD1 3.83Å; W98-F101 HydrophobicContact CZ3-CE1 4.04Å; W98-F101 HydrophobicContact CZ3-CG 4.44Å; W98-A102 WeakPolarHBondContact O-CB 3.32Å; W98-A102 PolarHBondContact O-N 2.93Å; W98-L141 HydrophobicContact CH2-CD2 3.78Å; W98-L141 HydrophobicContact CZ3-CD2 3.98Å; W98-L142 HydrophobicContact CE3-CD2 4.21Å; W98-L142 HydrophobicContact CH2-CD2 3.9Å; W98-L142 HydrophobicContact CZ3-CD2 3.5Å; W98-L142 VanDerWaalsContact CZ3-CD2 3.5Å; W98-H145 HydrophobicContact CH2-CB 4.37Å; W98-H145 HydrophobicContact CZ2-CB 4.43Å; W98-H145 AromaticContact CZ2-CD2 3.55Å; W98-H145 AromaticContact CZ2-CE1 3.8Å; W98-H145 AromaticContact CZ2-CG 3.69Å; W98-H145 AromaticContact CZ2-ND1 3.84Å; W98-H145 AromaticContact CZ2-NE2 3.64Å; W98-L152 HydrophobicContact CB-CD1 4.41Å; W98-L152 HydrophobicContact CD2-CD1 4.1Å; W98-L152 HydrophobicContact CD2-CD2 4.24Å; W98-L152 HydrophobicContact CE3-CD1 4.43Å; W98-L152 HydrophobicContact CG-CB 4.37Å; W98-L152 HydrophobicContact CG-CD1 4.08Å; W98-L152 HydrophobicContact CH2-CD2 4.31Å; W98-L152 HydrophobicContact CZ2-CD2 4Å; W98-A160 HydrophobicContact CB-CB 3.55Å; W98-A160 HydrophobicContact CG-CB 3.97Å; W98-V164 HydrophobicContact CB-CG2 4.28Å |
| 99 | V | 98.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 173 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | N73 V95 V96 A102 D103 T163 | N73-V99 HydrophobicContact CB-CG1 4.19Å; N73-V99 WeakPolarHBondContact ND2-CG1 3.43Å; V95-V99 HydrophobicContact CG1-CG2 4.33Å; V95-V99 WeakPolarHBondContact O-CB 3.45Å; V95-V99 VanDerWaalsContact O-CG2 3.26Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.33Å; V96-V99 PolarHBondContact O-N 3.34Å; V99-A102 PolarHBondContact O-N 2.6Å; V99-D103 PolarHBondContact O-N 3.27Å; V99-T163 HydrophobicContact CB-CG2 4.47Å; V99-T163 HydrophobicContact CG1-CG2 4.36Å; V99-T163 HydrophobicContact CG2-CG2 4.29Å |
| 100 | S | 98.4 | Very high | 97.6 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69 | -45 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | V96 Q97 W98 A102 D103 S104 | V96-S100 VanDerWaalsContact O-CB 3.31Å; V96-S100 WeakPolarHBondContact O-CB 3.46Å; V96-S100 PolarHBondContact O-N 2.9Å; V96-S100 PolarHBondContact O-OG 2.75Å; Q97-S100 PolarHBondContact O-N 2.73Å; W98-S100 VanDerWaalsContact C-N 3.33Å; S100-A102 VanDerWaalsContact C-N 3.26Å; S100-A102 PolarHBondContact O-N 3.08Å; S100-D103 PolarHBondContact O-N 3.23Å; S100-D103 VanDerWaalsContact O-N 3.14Å; S100-S104 PolarHBondContact O-N 2.83Å; S100-S104 PolarHBondContact O-OG 2.84Å; S100-S104 VanDerWaalsContact O-OG 3.07Å |
| 101 | F | 98.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 11% | 0.114 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.3 | -40.6 | 173.7 | 174.6 | -103.2 | 0 | 0 | 0 | 112 | Q97 W98 D103 D105 I106 I138 L141 | Q97-F101 VanDerWaalsContact O-CB 3.32Å; Q97-F101 WeakPolarHBondContact O-CB 3.41Å; Q97-F101 PolarHBondContact O-N 3.18Å; W98-F101 HydrophobicContact CE3-CB 4.48Å; W98-F101 AromaticContact CE3-CD1 3.8Å; W98-F101 HydrophobicContact CE3-CD1 3.8Å; W98-F101 HydrophobicContact CE3-CE1 4.42Å; W98-F101 HydrophobicContact CE3-CG 4.35Å; W98-F101 AromaticContact CZ3-CD1 3.83Å; W98-F101 HydrophobicContact CZ3-CD1 3.83Å; W98-F101 HydrophobicContact CZ3-CE1 4.04Å; W98-F101 HydrophobicContact CZ3-CG 4.44Å; F101-D103 VanDerWaalsContact C-N 3.35Å; F101-D103 PolarHBondContact O-N 2.92Å; F101-D105 HydrophobicContact CD2-CB 3.74Å; F101-D105 HydrophobicContact CE2-CB 3.53Å; F101-D105 WeakPolarHBondContact CE2-OD1 3.28Å; F101-D105 HydrophobicContact CG-CB 4.44Å; F101-D105 HydrophobicContact CZ-CB 4.08Å; F101-D105 WeakPolarHBondContact O-CB 3.38Å; F101-D105 PolarHBondContact O-N 2.88Å; F101-I106 HydrophobicContact CD1-CD1 4.02Å; F101-I106 HydrophobicContact CD1-CG1 4.19Å; F101-I106 HydrophobicContact CE1-CD1 3.8Å; F101-I106 HydrophobicContact CE1-CG1 3.88Å; F101-I106 PolarHBondContact O-N 3.04Å; F101-I138 HydrophobicContact CE1-CG2 4.17Å; F101-I138 HydrophobicContact CZ-CG1 4.18Å; F101-I138 HydrophobicContact CZ-CG2 4.1Å; F101-L141 HydrophobicContact CE2-CD1 4.32Å; F101-L141 HydrophobicContact CZ-CD1 4.4Å; F101-L141 HydrophobicContact CZ-CD2 4.28Å |
| 102 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -61.5 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W98 V99 S100 I106 V107 T163 V164 T167 | W98-A102 WeakPolarHBondContact O-CB 3.32Å; W98-A102 PolarHBondContact O-N 2.93Å; V99-A102 PolarHBondContact O-N 2.6Å; S100-A102 VanDerWaalsContact C-N 3.26Å; S100-A102 PolarHBondContact O-N 3.08Å; A102-I106 HydrophobicContact CB-CD1 4.25Å; A102-I106 WeakPolarHBondContact O-CB 3.27Å; A102-I106 PolarHBondContact O-N 2.84Å; A102-V107 WeakPolarHBondContact O-CG2 3.35Å; A102-V107 PolarHBondContact O-N 2.86Å; A102-T163 HydrophobicContact CB-CG2 3.79Å; A102-V164 HydrophobicContact CB-CG2 4.13Å; A102-T167 HydrophobicContact CB-CG2 3.94Å |
| 103 | D | 93.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -73.2 | -37.8 | -179.8 | -73.7 | -27.5 | 0 | 0 | 0 | 113.2 | N73 V99 S100 F101 | N73-D103 PolarHBondContact ND2-OD2 3.05Å; V99-D103 PolarHBondContact O-N 3.27Å; S100-D103 PolarHBondContact O-N 3.23Å; S100-D103 VanDerWaalsContact O-N 3.14Å; F101-D103 VanDerWaalsContact C-N 3.35Å; F101-D103 PolarHBondContact O-N 2.92Å |
| 104 | S | 94 | Very high | 96.5 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 51% | 0.51 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -82.3 | -42.7 | -177 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | S100 P108 | S100-S104 PolarHBondContact O-N 2.83Å; S100-S104 PolarHBondContact O-OG 2.84Å; S100-S104 VanDerWaalsContact O-OG 3.07Å; S104-P108 WeakPolarHBondContact O-CG 3.45Å |
| 105 | D | 96.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -105.1 | -37.9 | -168.5 | -69.1 | -133 | 0 | 0 | 0 | 111.4 | F101 P109 R137 I138 | F101-D105 HydrophobicContact CD2-CB 3.74Å; F101-D105 HydrophobicContact CE2-CB 3.53Å; F101-D105 WeakPolarHBondContact CE2-OD1 3.28Å; F101-D105 HydrophobicContact CG-CB 4.44Å; F101-D105 HydrophobicContact CZ-CB 4.08Å; F101-D105 WeakPolarHBondContact O-CB 3.38Å; F101-D105 PolarHBondContact O-N 2.88Å; D105-P109 WeakPolarHBondContact O-CD 3.31Å; D105-P109 WeakPolarHBondContact O-CG 3.39Å; D105-R137 IonicContact OD1-CZ 2.61Å; D105-R137 IonicContact OD1-NH2 3.9Å; D105-R137 PolarHBondContact OD1-NH2 3.21Å; D105-I138 HydrophobicContact CB-CD1 4.41Å; D105-I138 WeakPolarHBondContact O-CD1 3.49Å |
| 106 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -86.5 | -49.7 | -174.1 | -49.3 | -176.2 | 0 | 0 | 0 | 111.9 | F101 A102 P109 A110 I138 V164 L168 | F101-I106 HydrophobicContact CD1-CD1 4.02Å; F101-I106 HydrophobicContact CD1-CG1 4.19Å; F101-I106 HydrophobicContact CE1-CD1 3.8Å; F101-I106 HydrophobicContact CE1-CG1 3.88Å; F101-I106 PolarHBondContact O-N 3.04Å; A102-I106 HydrophobicContact CB-CD1 4.25Å; A102-I106 WeakPolarHBondContact O-CB 3.27Å; A102-I106 PolarHBondContact O-N 2.84Å; I106-P109 VanDerWaalsContact O-CD 3.27Å; I106-P109 WeakPolarHBondContact O-CD 3.48Å; I106-P109 WeakPolarHBondContact O-CG 3.29Å; I106-A110 HydrophobicContact CG2-CB 4.46Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 2.87Å; I106-I138 HydrophobicContact CD1-CG2 4.09Å; I106-I138 HydrophobicContact CG1-CD1 4.38Å; I106-I138 HydrophobicContact CG1-CG2 3.83Å; I106-V164 HydrophobicContact CD1-CG1 3.78Å; I106-L168 HydrophobicContact CD1-CG 4.47Å; I106-L168 HydrophobicContact CG2-CD2 3.59Å; I106-L168 HydrophobicContact CG2-CG 4.15Å |
| 107 | V | 97 | Very high | 94.7 | Very high | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | -172.1 | 170.1 | 0 | 0 | 0 | 0 | 113.1 | W13 A102 S111 T167 | W13-V107 HydrophobicContact CH2-CG2 3.58Å; W13-V107 HydrophobicContact CZ2-CG1 4.35Å; W13-V107 HydrophobicContact CZ2-CG2 3.78Å; A102-V107 WeakPolarHBondContact O-CG2 3.35Å; A102-V107 PolarHBondContact O-N 2.86Å; V107-S111 VanDerWaalsContact O-CB 3.27Å; V107-S111 WeakPolarHBondContact O-CB 3.43Å; V107-S111 PolarHBondContact O-N 3.18Å; V107-S111 PolarHBondContact O-OG 2.96Å; V107-T167 HydrophobicContact CG2-CG2 3.9Å |
| 108 | P | 94.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 27.3 Ų | 27.3 | 42% | 0.416 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.7 | -52.8 | -178.4 | -22.2 | 33.5 | 0 | 0 | 0 | 114.8 | S104 S111 T112 | S104-P108 WeakPolarHBondContact O-CG 3.45Å; P108-S111 PolarHBondContact O-N 3.19Å; P108-T112 WeakPolarHBondContact O-CB 3.45Å; P108-T112 PolarHBondContact O-N 2.93Å; P108-T112 PolarHBondContact O-OG1 3.45Å |
| 109 | P | 95 | Very high | 93 | Very high | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.5 | -34.8 | 177.8 | 29.7 | -36.6 | 0 | 0 | 0 | 112 | D105 I106 S111 T112 W113 A131 E134 V135 I138 | D105-P109 WeakPolarHBondContact O-CD 3.31Å; D105-P109 WeakPolarHBondContact O-CG 3.39Å; I106-P109 VanDerWaalsContact O-CD 3.27Å; I106-P109 WeakPolarHBondContact O-CD 3.48Å; I106-P109 WeakPolarHBondContact O-CG 3.29Å; P109-S111 VanDerWaalsContact C-N 3.33Å; P109-S111 PolarHBondContact O-N 3.36Å; P109-T112 PolarHBondContact O-N 3.16Å; P109-W113 WeakPolarHBondContact O-CB 3.33Å; P109-W113 PolarHBondContact O-N 3.42Å; P109-A131 HydrophobicContact CB-CB 4.02Å; P109-E134 HydrophobicContact CB-CB 3.97Å; P109-E134 HydrophobicContact CB-CG 4.04Å; P109-E134 HydrophobicContact CG-CB 4.27Å; P109-E134 HydrophobicContact CG-CG 3.82Å; P109-V135 HydrophobicContact CB-CG2 4.14Å; P109-V135 HydrophobicContact CG-CG2 4.38Å; P109-I138 HydrophobicContact CG-CD1 3.97Å |
| 110 | A | 97 | Very high | 92 | Very high | 9 Ų | 9 | 30 Ų | 30 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I106 V114 L171 | I106-A110 HydrophobicContact CG2-CB 4.46Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 2.87Å; A110-V114 VanDerWaalsContact O-CB 3.32Å; A110-V114 WeakPolarHBondContact O-CB 3.46Å; A110-V114 VanDerWaalsContact O-CG2 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.27Å; A110-V114 PolarHBondContact O-N 3.36Å; A110-L171 HydrophobicContact CB-CD1 3.55Å; A110-L171 HydrophobicContact CB-CD2 4.46Å; A110-L171 HydrophobicContact CB-CG 3.87Å |
| 111 | S | 92.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | V107 P108 P109 W113 V114 F115 | V107-S111 VanDerWaalsContact O-CB 3.27Å; V107-S111 WeakPolarHBondContact O-CB 3.43Å; V107-S111 PolarHBondContact O-N 3.18Å; V107-S111 PolarHBondContact O-OG 2.96Å; P108-S111 PolarHBondContact O-N 3.19Å; P109-S111 VanDerWaalsContact C-N 3.33Å; P109-S111 PolarHBondContact O-N 3.36Å; S111-W113 VanDerWaalsContact C-N 3.31Å; S111-W113 PolarHBondContact O-N 2.99Å; S111-V114 PolarHBondContact O-N 3.02Å; S111-F115 WeakPolarHBondContact O-CB 3.2Å; S111-F115 WeakPolarHBondContact O-CD1 3.44Å; S111-F115 WeakPolarHBondContact O-CG 3.36Å; S111-F115 PolarHBondContact O-N 3.36Å |
| 112 | T | 90 | Very high | 89.6 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 179.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | P108 P109 P116 A127 A131 | P108-T112 WeakPolarHBondContact O-CB 3.45Å; P108-T112 PolarHBondContact O-N 2.93Å; P108-T112 PolarHBondContact O-OG1 3.45Å; P109-T112 PolarHBondContact O-N 3.16Å; T112-P116 VanDerWaalsContact O-CD 3.26Å; T112-P116 WeakPolarHBondContact O-CD 3.39Å; T112-A127 HydrophobicContact CG2-CB 3.88Å; T112-A131 HydrophobicContact CG2-CB 3.94Å |
| 113 | W | 94.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -80.4 | -41.3 | -178.7 | -168.5 | 2.1 | 0 | 0 | 0 | 112.6 | P109 S111 T128 A131 K132 V135 L171 V175 L176 F180 M213 | P109-W113 WeakPolarHBondContact O-CB 3.33Å; P109-W113 PolarHBondContact O-N 3.42Å; S111-W113 VanDerWaalsContact C-N 3.31Å; S111-W113 PolarHBondContact O-N 2.99Å; W113-T128 HydrophobicContact CG-CG2 4.38Å; W113-A131 HydrophobicContact CB-CB 4.07Å; W113-K132 HydrophobicContact CD2-CG 3.72Å; W113-K132 HydrophobicContact CE3-CB 4.47Å; W113-K132 HydrophobicContact CE3-CG 3.87Å; W113-K132 HydrophobicContact CG-CG 4.48Å; W113-K132 HydrophobicContact CH2-CB 4.46Å; W113-K132 HydrophobicContact CH2-CG 3.76Å; W113-K132 HydrophobicContact CZ2-CD 4.15Å; W113-K132 HydrophobicContact CZ2-CG 3.56Å; W113-K132 HydrophobicContact CZ3-CB 4.33Å; W113-K132 HydrophobicContact CZ3-CG 3.89Å; W113-V135 HydrophobicContact CE3-CB 4.12Å; W113-V135 HydrophobicContact CE3-CG1 4.38Å; W113-V135 HydrophobicContact CE3-CG2 3.97Å; W113-V135 HydrophobicContact CZ3-CB 3.88Å; W113-V135 HydrophobicContact CZ3-CG1 3.83Å; W113-V135 HydrophobicContact CZ3-CG2 4.22Å; W113-L171 HydrophobicContact CB-CD2 4.46Å; W113-L171 HydrophobicContact CD2-CD2 4.16Å; W113-L171 HydrophobicContact CE3-CD2 3.64Å; W113-L171 HydrophobicContact CZ3-CD2 4.14Å; W113-V175 HydrophobicContact CD2-CB 4.26Å; W113-V175 HydrophobicContact CD2-CG2 3.71Å; W113-V175 HydrophobicContact CE3-CG2 4.06Å; W113-V175 HydrophobicContact CG-CG2 4.18Å; W113-V175 HydrophobicContact CH2-CB 4.38Å; W113-V175 HydrophobicContact CH2-CG2 4.02Å; W113-V175 HydrophobicContact CZ2-CB 3.64Å; W113-V175 HydrophobicContact CZ2-CG2 3.69Å; W113-V175 HydrophobicContact CZ3-CG2 4.21Å; W113-L176 HydrophobicContact CH2-CD2 3.89Å; W113-L176 HydrophobicContact CZ3-CD2 3.93Å; W113-F180 HydrophobicContact CH2-CD1 4.22Å; W113-F180 AromaticContact CH2-CD2 3.91Å; W113-F180 HydrophobicContact CH2-CD2 3.91Å; W113-F180 AromaticContact CH2-CE1 3.8Å; W113-F180 HydrophobicContact CH2-CE1 3.8Å; W113-F180 AromaticContact CH2-CE2 3.45Å; W113-F180 HydrophobicContact CH2-CE2 3.45Å; W113-F180 VanDerWaalsContact CH2-CE2 3.45Å; W113-F180 HydrophobicContact CH2-CG 4.27Å; W113-F180 AromaticContact CH2-CZ 3.38Å; W113-F180 HydrophobicContact CH2-CZ 3.38Å; W113-F180 HydrophobicContact CZ2-CE2 4.29Å; W113-F180 HydrophobicContact CZ3-CE1 4.02Å; W113-F180 HydrophobicContact CZ3-CE2 4.09Å; W113-F180 AromaticContact CZ3-CZ 3.6Å; W113-F180 HydrophobicContact CZ3-CZ 3.6Å; W113-M213 HydrophobicContact CH2-CE 4.33Å; W113-M213 HydrophobicContact CZ2-CE 3.52Å; W113-M213 HydrophobicContact CZ2-SD 3.81Å |
| 114 | V | 94 | Very high | 88.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -84.4 | -38 | -172.6 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | A110 S111 P116 T117 L118 W170 L171 Q174 V175 | A110-V114 VanDerWaalsContact O-CB 3.32Å; A110-V114 WeakPolarHBondContact O-CB 3.46Å; A110-V114 VanDerWaalsContact O-CG2 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.27Å; A110-V114 PolarHBondContact O-N 3.36Å; S111-V114 PolarHBondContact O-N 3.02Å; V114-P116 VanDerWaalsContact C-CD 3.49Å; V114-P116 VanDerWaalsContact C-N 3.32Å; V114-T117 WeakPolarHBondContact O-CA 3.31Å; V114-T117 WeakPolarHBondContact O-CB 3.25Å; V114-T117 PolarHBondContact O-N 3.22Å; V114-T117 PolarHBondContact O-OG1 3.42Å; V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4Å; V114-L118 PolarHBondContact O-N 3.32Å; V114-W170 HydrophobicContact CG1-CB 4.08Å; V114-W170 HydrophobicContact CG2-CB 4.42Å; V114-L171 HydrophobicContact CG2-CD2 3.73Å; V114-L171 HydrophobicContact CG2-CG 4.03Å; V114-Q174 HydrophobicContact CG1-CB 4.16Å; V114-Q174 HydrophobicContact CG1-CG 3.87Å; V114-V175 HydrophobicContact CG2-CG2 4.21Å |
| 115 | F | 87.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 23% | 0.232 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -37.2 | -172.5 | -75.1 | 11.4 | 0 | 0 | 0 | 113.8 | S111 T117 L118 G119 I120 M121 | S111-F115 WeakPolarHBondContact O-CB 3.2Å; S111-F115 WeakPolarHBondContact O-CD1 3.44Å; S111-F115 WeakPolarHBondContact O-CG 3.36Å; S111-F115 PolarHBondContact O-N 3.36Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 2.87Å; F115-L118 PolarHBondContact O-N 3.05Å; F115-G119 PolarHBondContact O-N 3.13Å; F115-I120 HydrophobicContact CB-CB 3.97Å; F115-I120 HydrophobicContact CB-CG2 4.34Å; F115-I120 HydrophobicContact CD1-CD1 4.17Å; F115-I120 HydrophobicContact CD2-CB 4.42Å; F115-I120 HydrophobicContact CD2-CG2 3.9Å; F115-I120 HydrophobicContact CE2-CG2 4.47Å; F115-I120 HydrophobicContact CG-CB 4.19Å; F115-I120 HydrophobicContact CG-CD1 4.33Å; F115-I120 HydrophobicContact CG-CG2 4.16Å; F115-I120 PolarHBondContact O-N 3.26Å; F115-M121 HydrophobicContact CB-CB 4.17Å; F115-M121 HydrophobicContact CB-CE 3.75Å; F115-M121 HydrophobicContact CB-CG 4.01Å; F115-M121 HydrophobicContact CD2-CE 3.69Å; F115-M121 HydrophobicContact CD2-CG 4.02Å; F115-M121 HydrophobicContact CD2-SD 4Å; F115-M121 HydrophobicContact CG-CE 4.13Å |
| 116 | P | 84.5 | Confident | 86.8 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 170.9 | -25.5 | 35.9 | 0 | 0 | 0 | 113.9 | T112 V114 L118 G119 M121 H123 F216 | T112-P116 VanDerWaalsContact O-CD 3.26Å; T112-P116 WeakPolarHBondContact O-CD 3.39Å; V114-P116 VanDerWaalsContact C-CD 3.49Å; V114-P116 VanDerWaalsContact C-N 3.32Å; P116-L118 PolarHBondContact O-N 2.97Å; P116-G119 PolarHBondContact O-N 3.23Å; P116-G119 VanDerWaalsContact O-N 3.09Å; P116-M121 WeakPolarHBondContact CA-O 3.29Å; P116-H123 HydrophobicContact CB-CB 3.95Å; P116-F216 HydrophobicContact CB-CD2 3.94Å; P116-F216 VanDerWaalsContact O-CD2 3.26Å; P116-F216 WeakPolarHBondContact O-CD2 3.36Å |
| 117 | T | 87.7 | Confident | 86 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -19.5 | 178.8 | 77.9 | 0 | 0 | 0 | 0 | 113.5 | V114 F115 Q174 V175 A214 | V114-T117 WeakPolarHBondContact O-CA 3.31Å; V114-T117 WeakPolarHBondContact O-CB 3.25Å; V114-T117 PolarHBondContact O-N 3.22Å; V114-T117 PolarHBondContact O-OG1 3.42Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 2.87Å; T117-Q174 PolarHBondContact OG1-NE2 3Å; T117-V175 HydrophobicContact CG2-CG1 3.79Å; T117-A214 HydrophobicContact CG2-CB 4.06Å; T117-A214 VanDerWaalsContact CG2-O 3.29Å; T117-A214 WeakPolarHBondContact CG2-O 3.36Å |
| 118 | L | 84.5 | Confident | 85.6 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.7 | 176.5 | -61.8 | 180 | 0 | 0 | 0 | 112.5 | V114 F115 P116 I120 W170 Q174 | V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4Å; V114-L118 PolarHBondContact O-N 3.32Å; F115-L118 PolarHBondContact O-N 3.05Å; P116-L118 PolarHBondContact O-N 2.97Å; L118-I120 HydrophobicContact CB-CD1 3.9Å; L118-I120 HydrophobicContact CB-CG1 3.95Å; L118-I120 HydrophobicContact CD1-CD1 4Å; L118-I120 PolarHBondContact O-N 3.07Å; L118-W170 HydrophobicContact CD1-CD2 4.16Å; L118-W170 HydrophobicContact CD1-CE3 4.01Å; L118-W170 HydrophobicContact CD1-CH2 4.28Å; L118-W170 HydrophobicContact CD1-CZ2 4.43Å; L118-W170 HydrophobicContact CD1-CZ3 4.08Å; L118-W170 HydrophobicContact CD2-CE3 4.26Å; L118-W170 HydrophobicContact CD2-CH2 4.21Å; L118-W170 HydrophobicContact CD2-CZ3 3.74Å; L118-Q174 HydrophobicContact CD2-CG 4.34Å |
| 119 | G | 77.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 21.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F115 P116 F221 T224 | F115-G119 PolarHBondContact O-N 3.13Å; P116-G119 PolarHBondContact O-N 3.23Å; P116-G119 VanDerWaalsContact O-N 3.09Å; G119-F221 WeakPolarHBondContact O-CA 3.48Å; G119-F221 WeakPolarHBondContact O-CD2 3.2Å; G119-T224 PolarHBondContact O-OG1 3.24Å |
| 120 | I | 76.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -82.7 | -36.6 | 179.2 | -61.9 | 170.9 | 0 | 0 | 0 | 110.6 | F115 L118 | F115-I120 HydrophobicContact CB-CB 3.97Å; F115-I120 HydrophobicContact CB-CG2 4.34Å; F115-I120 HydrophobicContact CD1-CD1 4.17Å; F115-I120 HydrophobicContact CD2-CB 4.42Å; F115-I120 HydrophobicContact CD2-CG2 3.9Å; F115-I120 HydrophobicContact CE2-CG2 4.47Å; F115-I120 HydrophobicContact CG-CB 4.19Å; F115-I120 HydrophobicContact CG-CD1 4.33Å; F115-I120 HydrophobicContact CG-CG2 4.16Å; F115-I120 PolarHBondContact O-N 3.26Å; L118-I120 HydrophobicContact CB-CD1 3.9Å; L118-I120 HydrophobicContact CB-CG1 3.95Å; L118-I120 HydrophobicContact CD1-CD1 4Å; L118-I120 PolarHBondContact O-N 3.07Å |
| 121 | M | 73.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -131.3 | 158.7 | 179.1 | -63.7 | -162.6 | -56.1 | 0 | 0 | 110.3 | F115 P116 | F115-M121 HydrophobicContact CB-CB 4.17Å; F115-M121 HydrophobicContact CB-CE 3.75Å; F115-M121 HydrophobicContact CB-CG 4.01Å; F115-M121 HydrophobicContact CD2-CE 3.69Å; F115-M121 HydrophobicContact CD2-CG 4.02Å; F115-M121 HydrophobicContact CD2-SD 4Å; F115-M121 HydrophobicContact CG-CE 4.13Å; P116-M121 WeakPolarHBondContact CA-O 3.29Å |
| 122 | H | 74.9 | Confident | 84.7 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | trans | -69.2 | 149.6 | 170.7 | -165.8 | 74.9 | 0 | 0 | 0 | 110.7 | F216 | H122-F216 AromaticContact ND1-CZ 3.89Š| ||
| 123 | H | 79.1 | Confident | 85 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | trans | -79 | 124.8 | 178.7 | 176.7 | -103.3 | 0 | 0 | 0 | 111.4 | P116 T128 F216 | P116-H123 HydrophobicContact CB-CB 3.95Å; H123-T128 PolarHBondContact CD2-OG1 2.97Å; H123-T128 PolarHBondContact NE2-OG1 3.44Å; H123-F216 HydrophobicContact CB-CB 3.76Å; H123-F216 HydrophobicContact CB-CD1 4.43Å; H123-F216 HydrophobicContact CB-CD2 3.88Å; H123-F216 HydrophobicContact CB-CG 3.76Å | ||
| 124 | N | 82 | Confident | 85.1 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | trans | -112.6 | 117.6 | 167.4 | -179.4 | -62.1 | 0 | 0 | 0 | 108.9 | Q126 A127 T128 | N124-Q126 PolarHBondContact O-N 3.44Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 VanDerWaalsContact OD1-N 3.13Å; N124-A127 HydrophobicContact CB-CB 3.95Å; N124-A127 PolarHBondContact O-N 2.91Å; N124-A127 WeakPolarHBondContact OD1-CB 3.38Å; N124-A127 PolarHBondContact OD1-N 3.24Å; N124-T128 VanDerWaalsContact O-CB 3.3Å; N124-T128 WeakPolarHBondContact O-CB 3.2Å; N124-T128 PolarHBondContact O-N 3.29Å; N124-T128 PolarHBondContact O-OG1 3.01Å | ||
| 125 | K | 82.9 | Confident | 85.3 | Confident | 158 Ų | 158 | 58.4 Ų | 58.4 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.2 | -46.9 | -174.6 | -174.3 | 175.5 | 179.9 | 175.9 | 0 | 112.3 | T128 E129 | K125-T128 PolarHBondContact O-N 3.09Å; K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.38Å |
| 126 | Q | 79.9 | Confident | 85.8 | Confident | 145 Ų | 145 | 60.2 Ų | 60.2 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | -178.3 | -172.9 | 177.4 | 21.2 | 0 | 0 | 111.8 | N124 T128 E129 N130 | N124-Q126 PolarHBondContact O-N 3.44Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 VanDerWaalsContact OD1-N 3.13Å; Q126-T128 VanDerWaalsContact C-N 3.27Å; Q126-T128 PolarHBondContact O-N 3.45Å; Q126-E129 PolarHBondContact O-N 3.47Å; Q126-N130 PolarHBondContact O-N 3.39Å |
| 127 | A | 82.2 | Confident | 86.5 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T112 N124 A131 | T112-A127 HydrophobicContact CG2-CB 3.88Å; N124-A127 HydrophobicContact CB-CB 3.95Å; N124-A127 PolarHBondContact O-N 2.91Å; N124-A127 WeakPolarHBondContact OD1-CB 3.38Å; N124-A127 PolarHBondContact OD1-N 3.24Å; A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.14Å; A127-A131 PolarHBondContact O-N 3.07Å |
| 128 | T | 87.2 | Confident | 87 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | W113 H123 N124 K125 Q126 A131 K132 | W113-T128 HydrophobicContact CG-CG2 4.38Å; H123-T128 PolarHBondContact CD2-OG1 2.97Å; H123-T128 PolarHBondContact NE2-OG1 3.44Å; N124-T128 VanDerWaalsContact O-CB 3.3Å; N124-T128 WeakPolarHBondContact O-CB 3.2Å; N124-T128 PolarHBondContact O-N 3.29Å; N124-T128 PolarHBondContact O-OG1 3.01Å; K125-T128 PolarHBondContact O-N 3.09Å; Q126-T128 VanDerWaalsContact C-N 3.27Å; Q126-T128 PolarHBondContact O-N 3.45Å; T128-A131 PolarHBondContact O-N 2.88Å; T128-K132 WeakPolarHBondContact O-CG 3.49Å; T128-K132 PolarHBondContact O-N 2.73Å |
| 129 | E | 86.4 | Confident | 87.7 | Confident | 80 Ų | 80 | 63 Ų | 63 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.1 | -68.9 | -52.9 | 134.5 | 0 | 0 | 112.1 | K125 Q126 A131 K132 E133 | K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.38Å; Q126-E129 PolarHBondContact O-N 3.47Å; E129-A131 VanDerWaalsContact C-N 3.32Å; E129-A131 PolarHBondContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.3Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 2.66Å; E129-K132 PolarHBondContact OE1-NZ 2.98Å; E129-K132 IonicContact OE2-NZ 2.88Å; E129-E133 PolarHBondContact O-N 3.32Å; E129-E133 VanDerWaalsContact O-N 3.13Å |
| 130 | N | 87 | Confident | 88.7 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 173.2 | -70 | -16.7 | 0 | 0 | 0 | 111.8 | Q126 K132 E133 E134 | Q126-N130 PolarHBondContact O-N 3.39Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 3.04Å; N130-E133 PolarHBondContact O-N 3.24Å; N130-E134 PolarHBondContact O-N 3.29Å |
| 131 | A | 92.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | P109 T112 W113 A127 T128 E129 E134 V135 | P109-A131 HydrophobicContact CB-CB 4.02Å; T112-A131 HydrophobicContact CG2-CB 3.94Å; W113-A131 HydrophobicContact CB-CB 4.07Å; A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.14Å; A127-A131 PolarHBondContact O-N 3.07Å; T128-A131 PolarHBondContact O-N 2.88Å; E129-A131 VanDerWaalsContact C-N 3.32Å; E129-A131 PolarHBondContact O-N 3.13Å; A131-E134 PolarHBondContact O-N 2.96Å; A131-V135 WeakPolarHBondContact O-CB 3.37Å; A131-V135 VanDerWaalsContact O-CG2 3.29Å; A131-V135 WeakPolarHBondContact O-CG2 3.37Å; A131-V135 PolarHBondContact O-N 2.96Å |
| 132 | K | 95.4 | Very high | 91 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174.2 | -74.6 | 173.2 | -176.4 | 171.5 | 0 | 111.7 | W113 T128 E129 N130 E134 V135 R136 F180 | W113-K132 HydrophobicContact CD2-CG 3.72Å; W113-K132 HydrophobicContact CE3-CB 4.47Å; W113-K132 HydrophobicContact CE3-CG 3.87Å; W113-K132 HydrophobicContact CG-CG 4.48Å; W113-K132 HydrophobicContact CH2-CB 4.46Å; W113-K132 HydrophobicContact CH2-CG 3.76Å; W113-K132 HydrophobicContact CZ2-CD 4.15Å; W113-K132 HydrophobicContact CZ2-CG 3.56Å; W113-K132 HydrophobicContact CZ3-CB 4.33Å; W113-K132 HydrophobicContact CZ3-CG 3.89Å; T128-K132 WeakPolarHBondContact O-CG 3.49Å; T128-K132 PolarHBondContact O-N 2.73Å; E129-K132 WeakPolarHBondContact O-CB 3.3Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 2.66Å; E129-K132 PolarHBondContact OE1-NZ 2.98Å; E129-K132 IonicContact OE2-NZ 2.88Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 3.04Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-V135 PolarHBondContact O-N 2.65Å; K132-R136 WeakPolarHBondContact O-CG 3.4Å; K132-R136 PolarHBondContact O-N 3.41Å; K132-F180 HydrophobicContact CB-CE2 4.29Å; K132-F180 HydrophobicContact CG-CE2 4.45Å |
| 133 | E | 95.9 | Very high | 92.1 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 178 | -69.9 | -51.5 | 123.6 | 0 | 0 | 111.9 | E129 N130 V135 R136 R137 | E129-E133 PolarHBondContact O-N 3.32Å; E129-E133 VanDerWaalsContact O-N 3.13Å; N130-E133 PolarHBondContact O-N 3.24Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.22Å; E133-R136 WeakPolarHBondContact O-CB 3.37Å; E133-R136 PolarHBondContact O-N 3.33Å; E133-R136 VanDerWaalsContact O-N 3.16Å; E133-R136 IonicContact OE1-CZ 3.77Å; E133-R136 IonicContact OE1-NH1 3.24Å; E133-R136 PolarHBondContact OE1-NH1 3.32Å; E133-R137 PolarHBondContact O-N 3.1Å |
| 134 | E | 96.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.1 | -169.2 | 58 | -155.8 | 0 | 0 | 111.7 | P109 N130 A131 K132 R136 R137 I138 | P109-E134 HydrophobicContact CB-CB 3.97Å; P109-E134 HydrophobicContact CB-CG 4.04Å; P109-E134 HydrophobicContact CG-CB 4.27Å; P109-E134 HydrophobicContact CG-CG 3.82Å; N130-E134 PolarHBondContact O-N 3.29Å; A131-E134 PolarHBondContact O-N 2.96Å; K132-E134 VanDerWaalsContact C-N 3.34Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.99Å; E134-R137 WeakPolarHBondContact O-CB 3.4Å; E134-R137 PolarHBondContact O-N 3.1Å; E134-R137 IonicContact OE1-CZ 2.87Å; E134-R137 IonicContact OE1-NE 3.68Å; E134-R137 PolarHBondContact OE1-NE 3.12Å; E134-R137 IonicContact OE1-NH2 2.81Å; E134-R137 PolarHBondContact OE1-NH2 2.69Å; E134-R137 IonicContact OE2-NE 3.63Å; E134-R137 PolarHBondContact OE2-NE 3.46Å; E134-I138 HydrophobicContact CG-CD1 4.12Å; E134-I138 WeakPolarHBondContact O-CD1 3.32Å; E134-I138 VanDerWaalsContact O-CG1 3.27Å; E134-I138 WeakPolarHBondContact O-CG1 3.37Å; E134-I138 PolarHBondContact O-N 3.37Å |
| 135 | V | 98.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | P109 W113 A131 K132 E133 R137 I138 L139 L171 L176 F180 | P109-V135 HydrophobicContact CB-CG2 4.14Å; P109-V135 HydrophobicContact CG-CG2 4.38Å; W113-V135 HydrophobicContact CE3-CB 4.12Å; W113-V135 HydrophobicContact CE3-CG1 4.38Å; W113-V135 HydrophobicContact CE3-CG2 3.97Å; W113-V135 HydrophobicContact CZ3-CB 3.88Å; W113-V135 HydrophobicContact CZ3-CG1 3.83Å; W113-V135 HydrophobicContact CZ3-CG2 4.22Å; A131-V135 WeakPolarHBondContact O-CB 3.37Å; A131-V135 VanDerWaalsContact O-CG2 3.29Å; A131-V135 WeakPolarHBondContact O-CG2 3.37Å; A131-V135 PolarHBondContact O-N 2.96Å; K132-V135 PolarHBondContact O-N 2.65Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.22Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.3Å; V135-I138 PolarHBondContact O-N 3.26Å; V135-L139 HydrophobicContact CG1-CD1 3.89Å; V135-L139 HydrophobicContact CG1-CG 4.07Å; V135-L139 WeakPolarHBondContact O-CB 3.35Å; V135-L139 VanDerWaalsContact O-CG 3.27Å; V135-L139 WeakPolarHBondContact O-CG 3.28Å; V135-L139 PolarHBondContact O-N 2.99Å; V135-L171 HydrophobicContact CG1-CD1 4.12Å; V135-L171 HydrophobicContact CG2-CD1 3.9Å; V135-L171 HydrophobicContact CG2-CD2 4.27Å; V135-L176 HydrophobicContact CG1-CD2 4.04Å; V135-F180 HydrophobicContact CG1-CE1 4.31Å |
| 136 | R | 98.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 172.8 | -73.3 | -176.2 | 172.6 | 107.5 | 0.2 | 111.4 | K132 E133 E134 I138 L139 G140 F180 F184 | K132-R136 WeakPolarHBondContact O-CG 3.4Å; K132-R136 PolarHBondContact O-N 3.41Å; E133-R136 WeakPolarHBondContact O-CB 3.37Å; E133-R136 PolarHBondContact O-N 3.33Å; E133-R136 VanDerWaalsContact O-N 3.16Å; E133-R136 IonicContact OE1-CZ 3.77Å; E133-R136 IonicContact OE1-NH1 3.24Å; E133-R136 PolarHBondContact OE1-NH1 3.32Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.99Å; R136-I138 VanDerWaalsContact C-N 3.34Å; R136-I138 PolarHBondContact O-N 3.06Å; R136-L139 PolarHBondContact O-N 3.37Å; R136-G140 PolarHBondContact O-N 3.42Å; R136-F180 HydrophobicContact CG-CE1 4.03Å; R136-F180 HydrophobicContact CG-CE2 4.06Å; R136-F180 HydrophobicContact CG-CZ 3.46Å; R136-F180 VanDerWaalsContact CG-CZ 3.46Å; R136-F180 VanDerWaalsContact NH2-CE2 3.33Å; R136-F184 HydrophobicContact CB-CZ 4.14Å; R136-F184 HydrophobicContact CG-CZ 4.24Å |
| 137 | R | 98.6 | Very high | 95.5 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 176.7 | -171.7 | -166 | 70.4 | 80.9 | -3.9 | 111.3 | D105 E133 E134 V135 G140 L141 | D105-R137 IonicContact OD1-CZ 2.61Å; D105-R137 IonicContact OD1-NH2 3.9Å; D105-R137 PolarHBondContact OD1-NH2 3.21Å; E133-R137 PolarHBondContact O-N 3.1Å; E134-R137 WeakPolarHBondContact O-CB 3.4Å; E134-R137 PolarHBondContact O-N 3.1Å; E134-R137 IonicContact OE1-CZ 2.87Å; E134-R137 IonicContact OE1-NE 3.68Å; E134-R137 PolarHBondContact OE1-NE 3.12Å; E134-R137 IonicContact OE1-NH2 2.81Å; E134-R137 PolarHBondContact OE1-NH2 2.69Å; E134-R137 IonicContact OE2-NE 3.63Å; E134-R137 PolarHBondContact OE2-NE 3.46Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.3Å; R137-G140 PolarHBondContact O-N 2.86Å; R137-L141 PolarHBondContact O-N 2.99Å |
| 138 | I | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | -180 | -70.2 | 160.5 | 0 | 0 | 0 | 111.3 | F101 D105 I106 P109 E134 V135 R136 G140 L141 L142 | F101-I138 HydrophobicContact CE1-CG2 4.17Å; F101-I138 HydrophobicContact CZ-CG1 4.18Å; F101-I138 HydrophobicContact CZ-CG2 4.1Å; D105-I138 HydrophobicContact CB-CD1 4.41Å; D105-I138 WeakPolarHBondContact O-CD1 3.49Å; I106-I138 HydrophobicContact CD1-CG2 4.09Å; I106-I138 HydrophobicContact CG1-CD1 4.38Å; I106-I138 HydrophobicContact CG1-CG2 3.83Å; P109-I138 HydrophobicContact CG-CD1 3.97Å; E134-I138 HydrophobicContact CG-CD1 4.12Å; E134-I138 WeakPolarHBondContact O-CD1 3.32Å; E134-I138 VanDerWaalsContact O-CG1 3.27Å; E134-I138 WeakPolarHBondContact O-CG1 3.37Å; E134-I138 PolarHBondContact O-N 3.37Å; V135-I138 PolarHBondContact O-N 3.26Å; R136-I138 VanDerWaalsContact C-N 3.34Å; R136-I138 PolarHBondContact O-N 3.06Å; I138-G140 VanDerWaalsContact C-N 3.27Å; I138-G140 PolarHBondContact O-N 3.09Å; I138-L141 PolarHBondContact O-N 3.47Å; I138-L142 HydrophobicContact CG2-CD1 4.21Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.99Å |
| 139 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 179.6 | -66.1 | 178 | 0 | 0 | 0 | 111.4 | V135 R136 D143 L168 L176 F180 F184 T187 | V135-L139 HydrophobicContact CG1-CD1 3.89Å; V135-L139 HydrophobicContact CG1-CG 4.07Å; V135-L139 WeakPolarHBondContact O-CB 3.35Å; V135-L139 VanDerWaalsContact O-CG 3.27Å; V135-L139 WeakPolarHBondContact O-CG 3.28Å; V135-L139 PolarHBondContact O-N 2.99Å; R136-L139 PolarHBondContact O-N 3.37Å; L139-D143 VanDerWaalsContact O-CB 3.29Å; L139-D143 WeakPolarHBondContact O-CB 3.48Å; L139-D143 PolarHBondContact O-N 3.26Å; L139-L168 HydrophobicContact CD2-CD1 4.47Å; L139-L168 HydrophobicContact CD2-CD2 4.35Å; L139-L176 HydrophobicContact CD1-CD1 4.13Å; L139-L176 HydrophobicContact CD1-CD2 4.03Å; L139-F180 HydrophobicContact CD1-CE1 4.13Å; L139-F184 HydrophobicContact CB-CB 4.21Å; L139-F184 HydrophobicContact CB-CD1 3.78Å; L139-F184 HydrophobicContact CB-CD2 3.64Å; L139-F184 HydrophobicContact CB-CE1 4Å; L139-F184 HydrophobicContact CB-CE2 3.88Å; L139-F184 HydrophobicContact CB-CG 3.59Å; L139-F184 HydrophobicContact CB-CZ 4.05Å; L139-F184 HydrophobicContact CD1-CD2 3.66Å; L139-F184 HydrophobicContact CD1-CE2 3.78Å; L139-F184 HydrophobicContact CD1-CG 4.41Å; L139-F184 HydrophobicContact CG-CD2 4.3Å; L139-T187 HydrophobicContact CD2-CG2 3.76Å; L139-T187 PolarHBondContact O-OG1 2.85Å |
| 140 | G | 98.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | R136 R137 I138 D143 A144 | R136-G140 PolarHBondContact O-N 3.42Å; R137-G140 PolarHBondContact O-N 2.86Å; I138-G140 VanDerWaalsContact C-N 3.27Å; I138-G140 PolarHBondContact O-N 3.09Å; G140-D143 PolarHBondContact O-N 3.19Å; G140-A144 PolarHBondContact O-N 2.89Å |
| 141 | L | 98.7 | Very high | 98 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.6 | -176.3 | 157 | 0 | 0 | 0 | 111.1 | W98 F101 R137 I138 D143 H145 | W98-L141 HydrophobicContact CH2-CD2 3.78Å; W98-L141 HydrophobicContact CZ3-CD2 3.98Å; F101-L141 HydrophobicContact CE2-CD1 4.32Å; F101-L141 HydrophobicContact CZ-CD1 4.4Å; F101-L141 HydrophobicContact CZ-CD2 4.28Å; R137-L141 PolarHBondContact O-N 2.99Å; I138-L141 PolarHBondContact O-N 3.47Å; L141-D143 VanDerWaalsContact C-N 3.3Å; L141-D143 PolarHBondContact O-N 3.04Å; L141-H145 PolarHBondContact O-N 3.08Å; L141-H145 VanDerWaalsContact O-N 3.12Å |
| 142 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.2 | -70.3 | 171.9 | 0 | 0 | 0 | 111.2 | W98 I138 A144 H145 L146 L152 V164 L168 T187 | W98-L142 HydrophobicContact CE3-CD2 4.21Å; W98-L142 HydrophobicContact CH2-CD2 3.9Å; W98-L142 HydrophobicContact CZ3-CD2 3.5Å; W98-L142 VanDerWaalsContact CZ3-CD2 3.5Å; I138-L142 HydrophobicContact CG2-CD1 4.21Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.99Å; L142-A144 PolarHBondContact O-N 2.9Å; L142-H145 PolarHBondContact O-N 2.99Å; L142-L146 HydrophobicContact CB-CD1 4.28Å; L142-L146 VanDerWaalsContact O-CB 3.29Å; L142-L146 WeakPolarHBondContact O-CB 3.49Å; L142-L146 WeakPolarHBondContact O-CD1 3.36Å; L142-L146 WeakPolarHBondContact O-CG 3.16Å; L142-L146 PolarHBondContact O-N 3.27Å; L142-L152 HydrophobicContact CD2-CD2 4.07Å; L142-V164 HydrophobicContact CD1-CG1 4.07Å; L142-V164 HydrophobicContact CD2-CG1 4.35Å; L142-L168 HydrophobicContact CD1-CD1 3.88Å; L142-T187 HydrophobicContact CB-CG2 3.94Å; L142-T187 WeakPolarHBondContact CB-OG1 3.43Å; L142-T187 HydrophobicContact CD1-CG2 4.09Å |
| 143 | D | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | -176.3 | -167.8 | 85.7 | 0 | 0 | 0 | 111.1 | L139 G140 L141 H145 L146 K147 F184 P185 N186 T187 | L139-D143 VanDerWaalsContact O-CB 3.29Å; L139-D143 WeakPolarHBondContact O-CB 3.48Å; L139-D143 PolarHBondContact O-N 3.26Å; G140-D143 PolarHBondContact O-N 3.19Å; L141-D143 VanDerWaalsContact C-N 3.3Å; L141-D143 PolarHBondContact O-N 3.04Å; D143-H145 PolarHBondContact O-N 3.43Å; D143-L146 PolarHBondContact O-N 2.83Å; D143-K147 PolarHBondContact O-N 3.39Å; D143-K147 VanDerWaalsContact O-N 3.1Å; D143-F184 HydrophobicContact CB-CB 4.39Å; D143-F184 VanDerWaalsContact OD1-CA 3.23Å; D143-F184 WeakPolarHBondContact OD1-CA 3.41Å; D143-P185 WeakPolarHBondContact OD1-CD 3.26Å; D143-P185 VanDerWaalsContact OD1-N 3.08Å; D143-N186 WeakPolarHBondContact OD1-CA 3.34Å; D143-N186 VanDerWaalsContact OD1-CB 3.27Å; D143-N186 WeakPolarHBondContact OD1-CB 3.18Å; D143-N186 PolarHBondContact OD1-N 3.28Å; D143-N186 PolarHBondContact OD1-ND2 2.6Å; D143-N186 PolarHBondContact OD2-ND2 3.48Å; D143-T187 WeakPolarHBondContact CA-OG1 3.47Å; D143-T187 WeakPolarHBondContact CB-OG1 3.15Å; D143-T187 PolarHBondContact N-OG1 3.14Å; D143-T187 PolarHBondContact OD1-N 2.92Å |
| 144 | A | 98.7 | Very high | 98.4 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G140 L142 K147 | G140-A144 PolarHBondContact O-N 2.89Å; L142-A144 PolarHBondContact O-N 2.9Å; A144-K147 WeakPolarHBondContact O-CB 3.48Å |
| 145 | H | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.5 | -168.7 | 82 | 0 | 0 | 0 | 112.7 | W98 L141 L142 D143 R149 | W98-H145 HydrophobicContact CH2-CB 4.37Å; W98-H145 HydrophobicContact CZ2-CB 4.43Å; W98-H145 AromaticContact CZ2-CD2 3.55Å; W98-H145 AromaticContact CZ2-CE1 3.8Å; W98-H145 AromaticContact CZ2-CG 3.69Å; W98-H145 AromaticContact CZ2-ND1 3.84Å; W98-H145 AromaticContact CZ2-NE2 3.64Å; L141-H145 PolarHBondContact O-N 3.08Å; L141-H145 VanDerWaalsContact O-N 3.12Å; L142-H145 PolarHBondContact O-N 2.99Å; D143-H145 PolarHBondContact O-N 3.43Å; H145-R149 PolarHBondContact O-NH1 3.31Å |
| 146 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -85.7 | -4.7 | -175.3 | -71.4 | 162.8 | 0 | 0 | 0 | 113.9 | L142 D143 T148 R149 L152 N186 R189 W190 | L142-L146 HydrophobicContact CB-CD1 4.28Å; L142-L146 VanDerWaalsContact O-CB 3.29Å; L142-L146 WeakPolarHBondContact O-CB 3.49Å; L142-L146 WeakPolarHBondContact O-CD1 3.36Å; L142-L146 WeakPolarHBondContact O-CG 3.16Å; L142-L146 PolarHBondContact O-N 3.27Å; D143-L146 PolarHBondContact O-N 2.83Å; L146-T148 PolarHBondContact O-N 3.47Å; L146-T148 VanDerWaalsContact O-N 3.11Å; L146-R149 HydrophobicContact CD2-CB 4.5Å; L146-R149 PolarHBondContact O-N 2.96Å; L146-R149 VanDerWaalsContact O-O 3.06Å; L146-L152 HydrophobicContact CD1-CD2 4.4Å; L146-L152 HydrophobicContact CD2-CD2 3.98Å; L146-L152 HydrophobicContact CG-CD2 4.21Å; L146-N186 HydrophobicContact CB-CB 4.07Å; L146-R189 PolarHBondContact O-NH2 2.9Å; L146-W190 HydrophobicContact CD1-CB 3.61Å; L146-W190 HydrophobicContact CD1-CD2 3.75Å; L146-W190 HydrophobicContact CD1-CE3 3.99Å; L146-W190 HydrophobicContact CD1-CG 3.58Å; L146-W190 HydrophobicContact CD2-CB 4.05Å; L146-W190 HydrophobicContact CD2-CD2 4.48Å; L146-W190 HydrophobicContact CD2-CG 3.78Å; L146-W190 HydrophobicContact CG-CB 4.34Å; L146-W190 HydrophobicContact CG-CG 4.33Å |
| 147 | K | 98.5 | Very high | 98.5 | Very high | 151 Ų | 151 | 51.9 Ų | 51.9 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -38.2 | -179.3 | -175.3 | 175 | 179.7 | 176.8 | 0 | 113.9 | D143 A144 | D143-K147 PolarHBondContact O-N 3.39Å; D143-K147 VanDerWaalsContact O-N 3.1Å; A144-K147 WeakPolarHBondContact O-CB 3.48Å |
| 148 | T | 98.2 | Very high | 98.5 | Very high | 114 Ų | 114 | 47.2 Ų | 47.2 | 70% | 0.699 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | 24.3 | -180 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | L146 | L146-T148 PolarHBondContact O-N 3.47Å; L146-T148 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | trans | -129.1 | 147.6 | -179.2 | -67.4 | 178.3 | 178.4 | 71 | 7.8 | 110.7 | H145 L146 F151 E155 R189 | H145-R149 PolarHBondContact O-NH1 3.31Å; L146-R149 HydrophobicContact CD2-CB 4.5Å; L146-R149 PolarHBondContact O-N 2.96Å; L146-R149 VanDerWaalsContact O-O 3.06Å; R149-F151 WeakPolarHBondContact CB-O 3.38Å; R149-E155 VanDerWaalsContact CA-OE1 3.31Å; R149-E155 WeakPolarHBondContact CA-OE1 3.23Å; R149-R189 PolarHBondContact O-NH1 3.16Å; R149-R189 PolarHBondContact O-NH2 3.46Å | ||
| 150 | T | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -84.6 | -41.9 | 172.7 | -51 | 0 | 0 | 0 | 0 | 110.8 | E155 | T150-E155 WeakPolarHBondContact CB-OE2 3.42Å; T150-E155 PolarHBondContact N-OE1 2.8Å; T150-E155 PolarHBondContact N-OE2 3.08Å; T150-E155 PolarHBondContact OG1-OE2 3.42Å |
| 151 | F | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -132.3 | 167 | -179.6 | -62.4 | -69.8 | 0 | 0 | 0 | 110.2 | R149 V153 R156 V157 D161 T193 | R149-F151 WeakPolarHBondContact CB-O 3.38Å; F151-V153 VanDerWaalsContact C-N 3.3Å; F151-V153 PolarHBondContact O-N 3.07Å; F151-R156 VanDerWaalsContact CB-O 3.32Å; F151-R156 WeakPolarHBondContact CB-O 3.35Å; F151-R156 VanDerWaalsContact CD2-C 3.45Å; F151-R156 VanDerWaalsContact CD2-CA 3.43Å; F151-V157 HydrophobicContact CD1-CG2 3.77Å; F151-V157 HydrophobicContact CE1-CG2 3.35Å; F151-V157 HydrophobicContact CE2-CG2 4.34Å; F151-V157 HydrophobicContact CG-CG2 4.42Å; F151-V157 HydrophobicContact CZ-CG2 3.67Å; F151-D161 WeakPolarHBondContact CB-OD1 3.33Å; F151-T193 HydrophobicContact CE1-CG2 4.18Å; F151-T193 HydrophobicContact CZ-CG2 4.25Å |
| 152 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -66.5 | -30.1 | -175.3 | -69.3 | 174.8 | 0 | 0 | 0 | 113.4 | W98 L142 L146 A160 D161 V164 W190 | W98-L152 HydrophobicContact CB-CD1 4.41Å; W98-L152 HydrophobicContact CD2-CD1 4.1Å; W98-L152 HydrophobicContact CD2-CD2 4.24Å; W98-L152 HydrophobicContact CE3-CD1 4.43Å; W98-L152 HydrophobicContact CG-CB 4.37Å; W98-L152 HydrophobicContact CG-CD1 4.08Å; W98-L152 HydrophobicContact CH2-CD2 4.31Å; W98-L152 HydrophobicContact CZ2-CD2 4Å; L142-L152 HydrophobicContact CD2-CD2 4.07Å; L146-L152 HydrophobicContact CD1-CD2 4.4Å; L146-L152 HydrophobicContact CD2-CD2 3.98Å; L146-L152 HydrophobicContact CG-CD2 4.21Å; L152-A160 HydrophobicContact CB-CB 4.01Å; L152-A160 HydrophobicContact CD1-CB 4.11Å; L152-D161 PolarHBondContact N-OD1 3.46Å; L152-V164 HydrophobicContact CD1-CB 4.06Å; L152-V164 HydrophobicContact CD1-CG1 4.49Å; L152-V164 HydrophobicContact CD1-CG2 3.81Å; L152-W190 HydrophobicContact CD1-CZ2 3.84Å; L152-W190 HydrophobicContact CG-CZ2 4.15Å |
| 153 | V | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -137.9 | 127.7 | -175 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | A91 Q94 V95 F151 E155 R156 T158 A160 | A91-V153 HydrophobicContact CB-CG1 4.11Å; Q94-V153 HydrophobicContact CB-CG1 4.08Å; Q94-V153 HydrophobicContact CB-CG2 3.82Å; V95-V153 HydrophobicContact CG2-CB 4.48Å; V95-V153 HydrophobicContact CG2-CG1 4.31Å; V95-V153 HydrophobicContact CG2-CG2 4.24Å; F151-V153 VanDerWaalsContact C-N 3.3Å; F151-V153 PolarHBondContact O-N 3.07Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.28Å; V153-E155 VanDerWaalsContact O-N 3.1Å; V153-R156 PolarHBondContact O-N 3.21Å; V153-R156 VanDerWaalsContact O-O 3.06Å; V153-T158 HydrophobicContact CB-CG2 4.04Å; V153-T158 HydrophobicContact CG1-CG2 4.4Å; V153-A160 HydrophobicContact CG2-CB 3.8Å |
| 154 | G | 96.4 | Very high | 98.6 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 25.1 | 166 | 0 | 0 | 0 | 0 | 0 | 117 | R156 | G154-R156 PolarHBondContact O-N 2.77Å; G154-R156 VanDerWaalsContact O-N 3.12Å |
| 155 | E | 97.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 38.4 Ų | 38.4 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 27.1 | -179.9 | -70.1 | -62.4 | 108.4 | 0 | 0 | 115.1 | R149 T150 V153 | R149-E155 VanDerWaalsContact CA-OE1 3.31Å; R149-E155 WeakPolarHBondContact CA-OE1 3.23Å; T150-E155 WeakPolarHBondContact CB-OE2 3.42Å; T150-E155 PolarHBondContact N-OE1 2.8Å; T150-E155 PolarHBondContact N-OE2 3.08Å; T150-E155 PolarHBondContact OG1-OE2 3.42Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.28Å; V153-E155 VanDerWaalsContact O-N 3.1Å |
| 156 | R | 98.3 | Very high | 98.6 | Very high | 119 Ų | 119 | 36 Ų | 36 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -144 | 159.7 | 172.5 | 64 | -173.4 | -61.2 | 155.9 | 4.5 | 110.7 | E83 F151 V153 G154 T158 | E83-R156 VanDerWaalsContact CD-CZ 3.5Å; E83-R156 IonicContact OE1-NH1 2.98Å; E83-R156 WeakPolarHBondContact OE2-CD 3.29Å; E83-R156 IonicContact OE2-CZ 3.97Å; E83-R156 IonicContact OE2-NE 3.78Å; E83-R156 PolarHBondContact OE2-NE 3.25Å; E83-R156 IonicContact OE2-NH1 2.83Å; E83-R156 PolarHBondContact OE2-NH1 3.01Å; E83-R156 IonicContact OE2-NH2 2.95Å; F151-R156 VanDerWaalsContact CB-O 3.32Å; F151-R156 WeakPolarHBondContact CB-O 3.35Å; F151-R156 VanDerWaalsContact CD2-C 3.45Å; F151-R156 VanDerWaalsContact CD2-CA 3.43Å; V153-R156 PolarHBondContact O-N 3.21Å; V153-R156 VanDerWaalsContact O-O 3.06Å; G154-R156 PolarHBondContact O-N 2.77Å; G154-R156 VanDerWaalsContact O-N 3.12Å; R156-T158 HydrophobicContact CG-CG2 4.37Å; R156-T158 PolarHBondContact O-N 3.47Å |
| 157 | V | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.085 | 19% | 0.19 | C | C | . | . | trans | -61.3 | 129.7 | 172.9 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | Y24 L84 F151 D161 I162 F200 | Y24-V157 HydrophobicContact CD2-CG1 4.45Å; Y24-V157 HydrophobicContact CE1-CB 4.31Å; Y24-V157 HydrophobicContact CE1-CG1 4.42Å; Y24-V157 HydrophobicContact CE2-CB 4.48Å; Y24-V157 HydrophobicContact CE2-CG1 3.76Å; L84-V157 HydrophobicContact CD2-CG1 4.32Å; F151-V157 HydrophobicContact CD1-CG2 3.77Å; F151-V157 HydrophobicContact CE1-CG2 3.35Å; F151-V157 HydrophobicContact CE2-CG2 4.34Å; F151-V157 HydrophobicContact CG-CG2 4.42Å; F151-V157 HydrophobicContact CZ-CG2 3.67Å; V157-D161 HydrophobicContact CG1-CB 4.4Å; V157-I162 HydrophobicContact CG1-CD1 4.18Å; V157-I162 HydrophobicContact CG1-CG1 3.94Å; V157-F200 HydrophobicContact CG1-CE2 3.97Å; V157-F200 HydrophobicContact CG1-CZ 4.47Å | ||
| 158 | T | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | trans | -127.8 | 179.8 | 171 | 64.2 | 0 | 0 | 0 | 0 | 111 | V95 V153 R156 A160 D161 I162 | V95-T158 HydrophobicContact CG2-CG2 4.27Å; V153-T158 HydrophobicContact CB-CG2 4.04Å; V153-T158 HydrophobicContact CG1-CG2 4.4Å; R156-T158 HydrophobicContact CG-CG2 4.37Å; R156-T158 PolarHBondContact O-N 3.47Å; T158-A160 PolarHBondContact O-N 2.82Å; T158-A160 VanDerWaalsContact OG1-CB 3.29Å; T158-A160 WeakPolarHBondContact OG1-CB 3.27Å; T158-A160 PolarHBondContact OG1-N 2.89Å; T158-D161 PolarHBondContact N-OD2 3.11Å; T158-D161 PolarHBondContact O-N 3.19Å; T158-D161 VanDerWaalsContact O-N 3.13Å; T158-D161 PolarHBondContact OG1-OD2 3.07Å; T158-I162 WeakPolarHBondContact O-CG1 3.46Å; T158-I162 PolarHBondContact O-N 2.86Å; T158-I162 VanDerWaalsContact O-N 3.13Å | ||
| 159 | L | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -22 | 169.5 | -78.9 | 171.1 | 0 | 0 | 0 | 113 | A21 A76 Y77 L84 R85 V95 I162 T163 | A21-L159 HydrophobicContact CB-CD2 4.11Å; A76-L159 HydrophobicContact CB-CD2 3.87Å; Y77-L159 HydrophobicContact CD2-CD1 4.27Å; L84-L159 HydrophobicContact CB-CG 4.34Å; L84-L159 WeakPolarHBondContact O-CB 3.16Å; L84-L159 PolarHBondContact O-N 3.46Å; R85-L159 HydrophobicContact CG-CD1 4.33Å; V95-L159 HydrophobicContact CG1-CB 3.73Å; L159-I162 HydrophobicContact CD2-CD1 4.47Å; L159-T163 WeakPolarHBondContact O-CB 3.33Å; L159-T163 PolarHBondContact O-N 3.1Å; L159-T163 PolarHBondContact O-OG1 2.88Å |
| 160 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -54.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | W98 L152 V153 T158 T163 V164 | W98-A160 HydrophobicContact CB-CB 3.55Å; W98-A160 HydrophobicContact CG-CB 3.97Å; L152-A160 HydrophobicContact CB-CB 4.01Å; L152-A160 HydrophobicContact CD1-CB 4.11Å; V153-A160 HydrophobicContact CG2-CB 3.8Å; T158-A160 PolarHBondContact O-N 2.82Å; T158-A160 VanDerWaalsContact OG1-CB 3.29Å; T158-A160 WeakPolarHBondContact OG1-CB 3.27Å; T158-A160 PolarHBondContact OG1-N 2.89Å; A160-T163 PolarHBondContact O-N 3.39Å; A160-V164 VanDerWaalsContact O-CG2 3.3Å; A160-V164 WeakPolarHBondContact O-CG2 3.48Å; A160-V164 PolarHBondContact O-N 2.98Å |
| 161 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | -177.8 | -53.6 | -85.8 | 0 | 0 | 0 | 111.1 | F151 L152 V157 T158 T163 V164 V165 W190 | F151-D161 WeakPolarHBondContact CB-OD1 3.33Å; L152-D161 PolarHBondContact N-OD1 3.46Å; V157-D161 HydrophobicContact CG1-CB 4.4Å; T158-D161 PolarHBondContact N-OD2 3.11Å; T158-D161 PolarHBondContact O-N 3.19Å; T158-D161 VanDerWaalsContact O-N 3.13Å; T158-D161 PolarHBondContact OG1-OD2 3.07Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.48Å; D161-V164 PolarHBondContact O-N 3.12Å; D161-V165 VanDerWaalsContact O-CB 3.24Å; D161-V165 WeakPolarHBondContact O-CB 3.42Å; D161-V165 WeakPolarHBondContact O-CG2 3.41Å; D161-V165 PolarHBondContact O-N 2.94Å; D161-W190 HydrophobicContact CB-CZ2 4.26Å; D161-W190 PolarHBondContact OD1-NE1 3.43Å |
| 162 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | 179.8 | -64.1 | 169.1 | 0 | 0 | 0 | 110.9 | K17 I20 A21 Y24 L84 V157 T158 L159 C166 F200 | K17-I162 HydrophobicContact CB-CG2 4.23Å; K17-I162 HydrophobicContact CG-CG2 4.47Å; I20-I162 HydrophobicContact CB-CG2 4.02Å; I20-I162 HydrophobicContact CD1-CG2 4.43Å; I20-I162 HydrophobicContact CG2-CD1 3.95Å; I20-I162 HydrophobicContact CG2-CG1 3.85Å; I20-I162 HydrophobicContact CG2-CG2 4.1Å; A21-I162 HydrophobicContact CB-CD1 4.37Å; Y24-I162 HydrophobicContact CD2-CD1 4.19Å; Y24-I162 HydrophobicContact CE2-CD1 4.42Å; L84-I162 HydrophobicContact CD1-CD1 4.46Å; L84-I162 HydrophobicContact CD2-CD1 3.87Å; V157-I162 HydrophobicContact CG1-CD1 4.18Å; V157-I162 HydrophobicContact CG1-CG1 3.94Å; T158-I162 WeakPolarHBondContact O-CG1 3.46Å; T158-I162 PolarHBondContact O-N 2.86Å; T158-I162 VanDerWaalsContact O-N 3.13Å; L159-I162 HydrophobicContact CD2-CD1 4.47Å; I162-C166 WeakPolarHBondContact O-CB 3.44Å; I162-C166 PolarHBondContact O-N 3.47Å; I162-C166 VanDerWaalsContact O-N 3.07Å; I162-C166 PolarHBondContact O-SG 3.45Å; I162-F200 HydrophobicContact CB-CZ 4.2Å; I162-F200 HydrophobicContact CG1-CE1 4.44Å; I162-F200 HydrophobicContact CG1-CE2 4.02Å; I162-F200 HydrophobicContact CG1-CZ 3.59Å |
| 163 | T | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.8 | -51.3 | -177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | K17 V99 A102 L159 A160 D161 V165 C166 T167 | K17-T163 HydrophobicContact CD-CG2 3.78Å; V99-T163 HydrophobicContact CB-CG2 4.47Å; V99-T163 HydrophobicContact CG1-CG2 4.36Å; V99-T163 HydrophobicContact CG2-CG2 4.29Å; A102-T163 HydrophobicContact CB-CG2 3.79Å; L159-T163 WeakPolarHBondContact O-CB 3.33Å; L159-T163 PolarHBondContact O-N 3.1Å; L159-T163 PolarHBondContact O-OG1 2.88Å; A160-T163 PolarHBondContact O-N 3.39Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.48Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 2.9Å; T163-C166 PolarHBondContact O-N 3.33Å; T163-T167 HydrophobicContact CG2-CG2 4.46Å; T163-T167 WeakPolarHBondContact O-CG2 3.42Å; T163-T167 PolarHBondContact O-N 3.11Å; T163-T167 PolarHBondContact O-OG1 2.88Å |
| 164 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | W98 A102 I106 L142 L152 A160 D161 T167 L168 W190 | W98-V164 HydrophobicContact CB-CG2 4.28Å; A102-V164 HydrophobicContact CB-CG2 4.13Å; I106-V164 HydrophobicContact CD1-CG1 3.78Å; L142-V164 HydrophobicContact CD1-CG1 4.07Å; L142-V164 HydrophobicContact CD2-CG1 4.35Å; L152-V164 HydrophobicContact CD1-CB 4.06Å; L152-V164 HydrophobicContact CD1-CG1 4.49Å; L152-V164 HydrophobicContact CD1-CG2 3.81Å; A160-V164 VanDerWaalsContact O-CG2 3.3Å; A160-V164 WeakPolarHBondContact O-CG2 3.48Å; A160-V164 PolarHBondContact O-N 2.98Å; D161-V164 PolarHBondContact O-N 3.12Å; V164-T167 PolarHBondContact O-N 3.23Å; V164-T167 PolarHBondContact O-OG1 3.18Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.46Å; V164-L168 WeakPolarHBondContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 3.01Å; V164-L168 VanDerWaalsContact O-N 3.09Å; V164-W190 HydrophobicContact CB-CH2 3.82Å; V164-W190 HydrophobicContact CB-CZ2 4.29Å; V164-W190 HydrophobicContact CG1-CH2 3.54Å; V164-W190 HydrophobicContact CG1-CZ2 4.36Å; V164-W190 HydrophobicContact CG1-CZ3 4.19Å |
| 165 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | D161 T163 T167 L168 L169 W190 F191 C194 I195 F200 | D161-V165 VanDerWaalsContact O-CB 3.24Å; D161-V165 WeakPolarHBondContact O-CB 3.42Å; D161-V165 WeakPolarHBondContact O-CG2 3.41Å; D161-V165 PolarHBondContact O-N 2.94Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 2.9Å; V165-T167 VanDerWaalsContact C-N 3.3Å; V165-T167 PolarHBondContact O-N 2.92Å; V165-L168 PolarHBondContact O-N 3.48Å; V165-L169 PolarHBondContact O-N 3.48Å; V165-W190 HydrophobicContact CB-CH2 4.39Å; V165-W190 HydrophobicContact CG2-CH2 3.4Å; V165-W190 HydrophobicContact CG2-CZ2 3.54Å; V165-W190 HydrophobicContact CG2-CZ3 4.07Å; V165-F191 HydrophobicContact CB-CE2 4.48Å; V165-F191 HydrophobicContact CG1-CD2 4.16Å; V165-F191 HydrophobicContact CG1-CE2 3.82Å; V165-F191 HydrophobicContact CG2-CD2 4.31Å; V165-C194 HydrophobicContact CG2-CB 3.61Å; V165-I195 HydrophobicContact CG1-CG2 3.59Å; V165-F200 HydrophobicContact CB-CE1 3.92Å; V165-F200 HydrophobicContact CG1-CD1 4.09Å; V165-F200 HydrophobicContact CG1-CE1 3.69Å; V165-F200 HydrophobicContact CG2-CE1 4.26Å |
| 166 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.4 | -34.2 | -179 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | W13 K17 I162 T163 L169 | W13-C166 HydrophobicContact CE3-CB 4.1Å; K17-C166 HydrophobicContact CD-CB 4.46Å; K17-C166 HydrophobicContact CG-CB 3.74Å; I162-C166 WeakPolarHBondContact O-CB 3.44Å; I162-C166 PolarHBondContact O-N 3.47Å; I162-C166 VanDerWaalsContact O-N 3.07Å; I162-C166 PolarHBondContact O-SG 3.45Å; T163-C166 PolarHBondContact O-N 3.33Å; C166-L169 WeakPolarHBondContact O-CB 3.32Å |
| 167 | T | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 11.8 Ų | 11.8 | 5% | 0.049 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -74.4 | -32.3 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | W13 A102 V107 T163 V164 V165 | W13-T167 HydrophobicContact CE3-CG2 4.01Å; W13-T167 HydrophobicContact CH2-CG2 3.66Å; W13-T167 HydrophobicContact CZ3-CG2 3.34Å; A102-T167 HydrophobicContact CB-CG2 3.94Å; V107-T167 HydrophobicContact CG2-CG2 3.9Å; T163-T167 HydrophobicContact CG2-CG2 4.46Å; T163-T167 WeakPolarHBondContact O-CG2 3.42Å; T163-T167 PolarHBondContact O-N 3.11Å; T163-T167 PolarHBondContact O-OG1 2.88Å; V164-T167 PolarHBondContact O-N 3.23Å; V164-T167 PolarHBondContact O-OG1 3.18Å; V165-T167 VanDerWaalsContact C-N 3.3Å; V165-T167 PolarHBondContact O-N 2.92Å |
| 168 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -83 | -15.3 | 175.1 | -67.6 | 174.9 | 0 | 0 | 0 | 113.9 | I106 L139 L142 V164 V165 W170 L171 Y172 W190 F191 | I106-L168 HydrophobicContact CD1-CG 4.47Å; I106-L168 HydrophobicContact CG2-CD2 3.59Å; I106-L168 HydrophobicContact CG2-CG 4.15Å; L139-L168 HydrophobicContact CD2-CD1 4.47Å; L139-L168 HydrophobicContact CD2-CD2 4.35Å; L142-L168 HydrophobicContact CD1-CD1 3.88Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.46Å; V164-L168 WeakPolarHBondContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 3.01Å; V164-L168 VanDerWaalsContact O-N 3.09Å; V165-L168 PolarHBondContact O-N 3.48Å; L168-W170 VanDerWaalsContact C-N 3.33Å; L168-W170 PolarHBondContact O-N 2.91Å; L168-L171 HydrophobicContact CD2-CD1 3.88Å; L168-L171 WeakPolarHBondContact O-CB 3.42Å; L168-L171 PolarHBondContact O-N 3.35Å; L168-L171 VanDerWaalsContact O-N 3.07Å; L168-Y172 HydrophobicContact CB-CD2 4.02Å; L168-Y172 HydrophobicContact CB-CE2 4.17Å; L168-Y172 HydrophobicContact CD1-CE2 4.41Å; L168-Y172 PolarHBondContact O-N 3.23Å; L168-W190 HydrophobicContact CD1-CZ3 4.09Å; L168-F191 HydrophobicContact CB-CD2 4.44Å; L168-F191 HydrophobicContact CB-CE2 4.2Å |
| 169 | L | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52.8 | -47.9 | -172 | -179.7 | 62.5 | 0 | 0 | 0 | 113.1 | F16 V165 C166 Y172 K173 F191 L204 V207 | F16-L169 HydrophobicContact CD2-CD2 4.05Å; F16-L169 HydrophobicContact CE2-CD2 4.14Å; V165-L169 PolarHBondContact O-N 3.48Å; C166-L169 WeakPolarHBondContact O-CB 3.32Å; L169-Y172 PolarHBondContact O-N 3.43Å; L169-K173 HydrophobicContact CD1-CD 4.1Å; L169-K173 HydrophobicContact CD1-CG 4.44Å; L169-K173 HydrophobicContact CG-CD 4.1Å; L169-K173 WeakPolarHBondContact O-CG 3.07Å; L169-K173 PolarHBondContact O-N 3.4Å; L169-F191 HydrophobicContact CD1-CZ 4.13Å; L169-L204 HydrophobicContact CD1-CD1 4.39Å; L169-L204 HydrophobicContact CD2-CD1 4.44Å; L169-L204 HydrophobicContact CD2-CD2 3.83Å; L169-V207 HydrophobicContact CD1-CG1 3.84Å; L169-V207 HydrophobicContact CD1-CG2 4.12Å |
| 170 | W | 96.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 17.9 Ų | 17.9 | 22% | 0.216 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | -179.1 | -89.3 | 118.7 | 0 | 0 | 0 | 112.7 | W13 V114 L118 L168 K173 Q174 | W13-W170 AromaticContact CD1-CD1 3.96Å; V114-W170 HydrophobicContact CG1-CB 4.08Å; V114-W170 HydrophobicContact CG2-CB 4.42Å; L118-W170 HydrophobicContact CD1-CD2 4.16Å; L118-W170 HydrophobicContact CD1-CE3 4.01Å; L118-W170 HydrophobicContact CD1-CH2 4.28Å; L118-W170 HydrophobicContact CD1-CZ2 4.43Å; L118-W170 HydrophobicContact CD1-CZ3 4.08Å; L118-W170 HydrophobicContact CD2-CE3 4.26Å; L118-W170 HydrophobicContact CD2-CH2 4.21Å; L118-W170 HydrophobicContact CD2-CZ3 3.74Å; L168-W170 VanDerWaalsContact C-N 3.33Å; L168-W170 PolarHBondContact O-N 2.91Å; W170-K173 PolarHBondContact O-N 3.49Å; W170-Q174 HydrophobicContact CE3-CG 3.69Å; W170-Q174 HydrophobicContact CZ3-CG 4.1Å; W170-Q174 VanDerWaalsContact O-CB 3.25Å; W170-Q174 WeakPolarHBondContact O-CB 3.33Å; W170-Q174 VanDerWaalsContact O-CG 3.31Å; W170-Q174 WeakPolarHBondContact O-CG 3.26Å; W170-Q174 PolarHBondContact O-N 3.45Å |
| 171 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 172.9 | -79.3 | 168.1 | 0 | 0 | 0 | 110.6 | A110 W113 V114 V135 L168 K173 Q174 V175 L176 | A110-L171 HydrophobicContact CB-CD1 3.55Å; A110-L171 HydrophobicContact CB-CD2 4.46Å; A110-L171 HydrophobicContact CB-CG 3.87Å; W113-L171 HydrophobicContact CB-CD2 4.46Å; W113-L171 HydrophobicContact CD2-CD2 4.16Å; W113-L171 HydrophobicContact CE3-CD2 3.64Å; W113-L171 HydrophobicContact CZ3-CD2 4.14Å; V114-L171 HydrophobicContact CG2-CD2 3.73Å; V114-L171 HydrophobicContact CG2-CG 4.03Å; V135-L171 HydrophobicContact CG1-CD1 4.12Å; V135-L171 HydrophobicContact CG2-CD1 3.9Å; V135-L171 HydrophobicContact CG2-CD2 4.27Å; L168-L171 HydrophobicContact CD2-CD1 3.88Å; L168-L171 WeakPolarHBondContact O-CB 3.42Å; L168-L171 PolarHBondContact O-N 3.35Å; L168-L171 VanDerWaalsContact O-N 3.07Å; L171-K173 PolarHBondContact O-N 2.93Å; L171-Q174 PolarHBondContact O-N 3.15Å; L171-V175 HydrophobicContact CB-CG2 4.43Å; L171-V175 HydrophobicContact CD2-CG2 3.49Å; L171-V175 VanDerWaalsContact CD2-CG2 3.49Å; L171-V175 PolarHBondContact O-N 2.97Å; L171-L176 HydrophobicContact CB-CD1 3.85Å; L171-L176 HydrophobicContact CB-CG 3.95Å; L171-L176 PolarHBondContact O-N 3.33Å |
| 172 | Y | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 178.7 | -89.5 | -77.6 | 0 | 0 | 0 | 113.8 | L168 L169 L176 N188 F191 L209 C210 | L168-Y172 HydrophobicContact CB-CD2 4.02Å; L168-Y172 HydrophobicContact CB-CE2 4.17Å; L168-Y172 HydrophobicContact CD1-CE2 4.41Å; L168-Y172 PolarHBondContact O-N 3.23Å; L169-Y172 PolarHBondContact O-N 3.43Å; Y172-L176 HydrophobicContact CD1-CB 4.48Å; Y172-L176 HydrophobicContact CD1-CD1 4.06Å; Y172-L176 HydrophobicContact CD2-CD1 3.82Å; Y172-L176 HydrophobicContact CE1-CD1 4.15Å; Y172-L176 HydrophobicContact CE2-CD1 3.91Å; Y172-L176 HydrophobicContact CG-CD1 3.91Å; Y172-N188 PolarHBondContact OH-OD1 2.78Å; Y172-N188 VanDerWaalsContact OH-OD1 3.04Å; Y172-F191 HydrophobicContact CD1-CD1 4.01Å; Y172-F191 HydrophobicContact CD1-CE1 4.06Å; Y172-F191 AromaticContact CD2-CD1 3.83Å; Y172-F191 HydrophobicContact CD2-CD1 3.83Å; Y172-F191 AromaticContact CD2-CD2 3.6Å; Y172-F191 HydrophobicContact CD2-CD2 3.6Å; Y172-F191 AromaticContact CD2-CE1 3.73Å; Y172-F191 HydrophobicContact CD2-CE1 3.73Å; Y172-F191 AromaticContact CD2-CE2 3.49Å; Y172-F191 HydrophobicContact CD2-CE2 3.49Å; Y172-F191 VanDerWaalsContact CD2-CE2 3.49Å; Y172-F191 AromaticContact CD2-CG 3.77Å; Y172-F191 HydrophobicContact CD2-CG 3.77Å; Y172-F191 AromaticContact CD2-CZ 3.56Å; Y172-F191 HydrophobicContact CD2-CZ 3.56Å; Y172-F191 HydrophobicContact CE1-CD1 4.12Å; Y172-F191 HydrophobicContact CE1-CG 4.37Å; Y172-F191 HydrophobicContact CE2-CB 4Å; Y172-F191 AromaticContact CE2-CD1 3.95Å; Y172-F191 HydrophobicContact CE2-CD1 3.95Å; Y172-F191 AromaticContact CE2-CD2 3.55Å; Y172-F191 HydrophobicContact CE2-CD2 3.55Å; Y172-F191 HydrophobicContact CE2-CE1 4.33Å; Y172-F191 AromaticContact CE2-CE2 3.96Å; Y172-F191 HydrophobicContact CE2-CE2 3.96Å; Y172-F191 AromaticContact CE2-CG 3.55Å; Y172-F191 HydrophobicContact CE2-CG 3.55Å; Y172-F191 HydrophobicContact CE2-CZ 4.34Å; Y172-F191 AromaticContact CG-CD1 3.85Å; Y172-F191 HydrophobicContact CG-CD1 3.85Å; Y172-F191 HydrophobicContact CG-CD2 4.41Å; Y172-F191 AromaticContact CG-CE1 3.57Å; Y172-F191 HydrophobicContact CG-CE1 3.57Å; Y172-F191 HydrophobicContact CG-CE2 4.16Å; Y172-F191 HydrophobicContact CG-CG 4.27Å; Y172-F191 AromaticContact CG-CZ 3.74Å; Y172-F191 HydrophobicContact CG-CZ 3.74Å; Y172-F191 AromaticContact CZ-CG 3.86Å; Y172-L209 HydrophobicContact CD1-CD2 4Å; Y172-L209 HydrophobicContact CG-CD2 4.4Å; Y172-C210 VanDerWaalsContact O-CB 3.27Å; Y172-C210 WeakPolarHBondContact O-CB 3.27Å; Y172-C210 PolarHBondContact O-N 3.41Å |
| 173 | K | 96.7 | Very high | 97.7 | Very high | 65 Ų | 65 | 30.5 Ų | 30.5 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -73 | -37.9 | 176.6 | -72.7 | 175.5 | 70.9 | 175.2 | 0 | 112.3 | L169 W170 L171 V207 | L169-K173 HydrophobicContact CD1-CD 4.1Å; L169-K173 HydrophobicContact CD1-CG 4.44Å; L169-K173 HydrophobicContact CG-CD 4.1Å; L169-K173 WeakPolarHBondContact O-CG 3.07Å; L169-K173 PolarHBondContact O-N 3.4Å; W170-K173 PolarHBondContact O-N 3.49Å; L171-K173 PolarHBondContact O-N 2.93Å; K173-V207 HydrophobicContact CD-CG1 4.3Å; K173-V207 HydrophobicContact CG-CG1 3.92Å |
| 174 | Q | 94.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 17% | 0.173 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -102.5 | -46.7 | -165.8 | -64.7 | -69.8 | 112.2 | 0 | 0 | 114.5 | V114 T117 L118 W170 L171 C210 A214 | V114-Q174 HydrophobicContact CG1-CB 4.16Å; V114-Q174 HydrophobicContact CG1-CG 3.87Å; T117-Q174 PolarHBondContact OG1-NE2 3Å; L118-Q174 HydrophobicContact CD2-CG 4.34Å; W170-Q174 HydrophobicContact CE3-CG 3.69Å; W170-Q174 HydrophobicContact CZ3-CG 4.1Å; W170-Q174 VanDerWaalsContact O-CB 3.25Å; W170-Q174 WeakPolarHBondContact O-CB 3.33Å; W170-Q174 VanDerWaalsContact O-CG 3.31Å; W170-Q174 WeakPolarHBondContact O-CG 3.26Å; W170-Q174 PolarHBondContact O-N 3.45Å; L171-Q174 PolarHBondContact O-N 3.15Å; Q174-C210 VanDerWaalsContact C-SG 3.55Å; Q174-C210 PolarHBondContact O-SG 3.27Å; Q174-A214 HydrophobicContact CB-CB 4.4Å; Q174-A214 WeakPolarHBondContact O-CB 3.37Å; Q174-A214 PolarHBondContact O-N 3.42Å |
| 175 | V | 96.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -22.5 | -160.2 | -62.1 | 0 | 0 | 0 | 0 | 115.5 | W113 V114 T117 L171 E177 M213 | W113-V175 HydrophobicContact CD2-CB 4.26Å; W113-V175 HydrophobicContact CD2-CG2 3.71Å; W113-V175 HydrophobicContact CE3-CG2 4.06Å; W113-V175 HydrophobicContact CG-CG2 4.18Å; W113-V175 HydrophobicContact CH2-CB 4.38Å; W113-V175 HydrophobicContact CH2-CG2 4.02Å; W113-V175 HydrophobicContact CZ2-CB 3.64Å; W113-V175 HydrophobicContact CZ2-CG2 3.69Å; W113-V175 HydrophobicContact CZ3-CG2 4.21Å; V114-V175 HydrophobicContact CG2-CG2 4.21Å; T117-V175 HydrophobicContact CG2-CG1 3.79Å; L171-V175 HydrophobicContact CB-CG2 4.43Å; L171-V175 HydrophobicContact CD2-CG2 3.49Å; L171-V175 VanDerWaalsContact CD2-CG2 3.49Å; L171-V175 PolarHBondContact O-N 2.97Å; V175-E177 PolarHBondContact O-N 3.49Å; V175-M213 HydrophobicContact CB-CG 3.91Å; V175-M213 HydrophobicContact CG1-CG 4.13Å |
| 176 | L | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -78.4 | 70.4 | 179.1 | -63.2 | -178.2 | 0 | 0 | 0 | 110.6 | W113 V135 L139 L171 Y172 F180 R181 | W113-L176 HydrophobicContact CH2-CD2 3.89Å; W113-L176 HydrophobicContact CZ3-CD2 3.93Å; V135-L176 HydrophobicContact CG1-CD2 4.04Å; L139-L176 HydrophobicContact CD1-CD1 4.13Å; L139-L176 HydrophobicContact CD1-CD2 4.03Å; L171-L176 HydrophobicContact CB-CD1 3.85Å; L171-L176 HydrophobicContact CB-CG 3.95Å; L171-L176 PolarHBondContact O-N 3.33Å; Y172-L176 HydrophobicContact CD1-CB 4.48Å; Y172-L176 HydrophobicContact CD1-CD1 4.06Å; Y172-L176 HydrophobicContact CD2-CD1 3.82Å; Y172-L176 HydrophobicContact CE1-CD1 4.15Å; Y172-L176 HydrophobicContact CE2-CD1 3.91Å; Y172-L176 HydrophobicContact CG-CD1 3.91Å; L176-F180 HydrophobicContact CD2-CD1 3.43Å; L176-F180 VanDerWaalsContact CD2-CD1 3.43Å; L176-F180 HydrophobicContact CD2-CE1 3.43Å; L176-F180 VanDerWaalsContact CD2-CE1 3.43Å; L176-F180 HydrophobicContact CD2-CG 4.41Å; L176-F180 HydrophobicContact CD2-CZ 4.39Å; L176-R181 HydrophobicContact CB-CB 4.47Å; L176-R181 WeakPolarHBondContact O-CD 3.49Å; L176-R181 PolarHBondContact O-NH1 2.89Å | ||
| 177 | E | 96.5 | Very high | 97.7 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | trans | -63.2 | 163.8 | 176.3 | 65.2 | 175.6 | -163.7 | 0 | 0 | 112.7 | V175 S179 F180 R181 M213 | V175-E177 PolarHBondContact O-N 3.49Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 WeakPolarHBondContact CG-OG 3.34Å; E177-S179 PolarHBondContact O-N 3.08Å; E177-S179 PolarHBondContact OE1-OG 3.44Å; E177-F180 HydrophobicContact CG-CB 4.14Å; E177-F180 PolarHBondContact O-N 3.32Å; E177-F180 VanDerWaalsContact O-N 3.08Å; E177-R181 WeakPolarHBondContact O-CG 3.42Å; E177-R181 PolarHBondContact O-N 3Å; E177-M213 HydrophobicContact CG-CB 4.38Å; E177-M213 PolarHBondContact OE2-N 3.41Å | ||
| 178 | P | 97.8 | Very high | 97.7 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.5 | -45.9 | -174 | -27.6 | 34.4 | 0 | 0 | 0 | 114.7 | F180 R181 Q182 E211 | P178-F180 VanDerWaalsContact C-N 3.35Å; P178-F180 PolarHBondContact O-N 3.28Å; P178-R181 PolarHBondContact O-N 2.93Å; P178-Q182 WeakPolarHBondContact O-CB 3.39Å; P178-Q182 PolarHBondContact O-N 2.85Å; P178-E211 VanDerWaalsContact CD-O 3.28Å; P178-E211 WeakPolarHBondContact CD-O 3.03Å |
| 179 | S | 96.7 | Very high | 97.7 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 179.2 | 51 | 0 | 0 | 0 | 0 | 112.6 | E177 | E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 WeakPolarHBondContact CG-OG 3.34Å; E177-S179 PolarHBondContact O-N 3.08Å; E177-S179 PolarHBondContact OE1-OG 3.44Å |
| 180 | F | 96.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -46.2 | 178.8 | -171.3 | -78.5 | 0 | 0 | 0 | 111.2 | W113 K132 V135 R136 L139 L176 E177 P178 F184 M213 | W113-F180 HydrophobicContact CH2-CD1 4.22Å; W113-F180 AromaticContact CH2-CD2 3.91Å; W113-F180 HydrophobicContact CH2-CD2 3.91Å; W113-F180 AromaticContact CH2-CE1 3.8Å; W113-F180 HydrophobicContact CH2-CE1 3.8Å; W113-F180 AromaticContact CH2-CE2 3.45Å; W113-F180 HydrophobicContact CH2-CE2 3.45Å; W113-F180 VanDerWaalsContact CH2-CE2 3.45Å; W113-F180 HydrophobicContact CH2-CG 4.27Å; W113-F180 AromaticContact CH2-CZ 3.38Å; W113-F180 HydrophobicContact CH2-CZ 3.38Å; W113-F180 HydrophobicContact CZ2-CE2 4.29Å; W113-F180 HydrophobicContact CZ3-CE1 4.02Å; W113-F180 HydrophobicContact CZ3-CE2 4.09Å; W113-F180 AromaticContact CZ3-CZ 3.6Å; W113-F180 HydrophobicContact CZ3-CZ 3.6Å; K132-F180 HydrophobicContact CB-CE2 4.29Å; K132-F180 HydrophobicContact CG-CE2 4.45Å; V135-F180 HydrophobicContact CG1-CE1 4.31Å; R136-F180 HydrophobicContact CG-CE1 4.03Å; R136-F180 HydrophobicContact CG-CE2 4.06Å; R136-F180 HydrophobicContact CG-CZ 3.46Å; R136-F180 VanDerWaalsContact CG-CZ 3.46Å; R136-F180 VanDerWaalsContact NH2-CE2 3.33Å; L139-F180 HydrophobicContact CD1-CE1 4.13Å; L176-F180 HydrophobicContact CD2-CD1 3.43Å; L176-F180 VanDerWaalsContact CD2-CD1 3.43Å; L176-F180 HydrophobicContact CD2-CE1 3.43Å; L176-F180 VanDerWaalsContact CD2-CE1 3.43Å; L176-F180 HydrophobicContact CD2-CG 4.41Å; L176-F180 HydrophobicContact CD2-CZ 4.39Å; E177-F180 HydrophobicContact CG-CB 4.14Å; E177-F180 PolarHBondContact O-N 3.32Å; E177-F180 VanDerWaalsContact O-N 3.08Å; P178-F180 VanDerWaalsContact C-N 3.35Å; P178-F180 PolarHBondContact O-N 3.28Å; F180-F184 HydrophobicContact CE1-CE2 4.47Å; F180-M213 HydrophobicContact CD2-CE 4.41Å |
| 181 | R | 97.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81.8 | -12.2 | -174.6 | 72.5 | -175.7 | 176 | -113.7 | -0.3 | 113.9 | L176 E177 P178 A183 F184 N188 C210 | L176-R181 HydrophobicContact CB-CB 4.47Å; L176-R181 WeakPolarHBondContact O-CD 3.49Å; L176-R181 PolarHBondContact O-NH1 2.89Å; E177-R181 WeakPolarHBondContact O-CG 3.42Å; E177-R181 PolarHBondContact O-N 3Å; P178-R181 PolarHBondContact O-N 2.93Å; R181-A183 PolarHBondContact O-N 2.89Å; R181-A183 VanDerWaalsContact O-N 3.11Å; R181-F184 PolarHBondContact O-N 3.09Å; R181-N188 PolarHBondContact O-ND2 2.95Å; R181-C210 PolarHBondContact NH1-O 2.76Å |
| 182 | Q | 98.1 | Very high | 97.9 | Very high | 155 Ų | 155 | 41.8 Ų | 41.8 | 72% | 0.724 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.1 | -176.6 | -175.4 | 177.5 | 4.4 | 0 | 0 | 113.6 | P178 F184 | P178-Q182 WeakPolarHBondContact O-CB 3.39Å; P178-Q182 PolarHBondContact O-N 2.85Å; Q182-F184 PolarHBondContact O-N 3.22Å |
| 183 | A | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R181 P185 | R181-A183 PolarHBondContact O-N 2.89Å; R181-A183 VanDerWaalsContact O-N 3.11Å; A183-P185 VanDerWaalsContact C-CD 3.42Å; A183-P185 WeakPolarHBondContact O-CD 3.47Å |
| 184 | F | 98.7 | Very high | 98 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -124.7 | 58.8 | -171.1 | -42.4 | -69.7 | 0 | 0 | 0 | 112.6 | R136 L139 D143 F180 R181 Q182 N186 T187 N188 | R136-F184 HydrophobicContact CB-CZ 4.14Å; R136-F184 HydrophobicContact CG-CZ 4.24Å; L139-F184 HydrophobicContact CB-CB 4.21Å; L139-F184 HydrophobicContact CB-CD1 3.78Å; L139-F184 HydrophobicContact CB-CD2 3.64Å; L139-F184 HydrophobicContact CB-CE1 4Å; L139-F184 HydrophobicContact CB-CE2 3.88Å; L139-F184 HydrophobicContact CB-CG 3.59Å; L139-F184 HydrophobicContact CB-CZ 4.05Å; L139-F184 HydrophobicContact CD1-CD2 3.66Å; L139-F184 HydrophobicContact CD1-CE2 3.78Å; L139-F184 HydrophobicContact CD1-CG 4.41Å; L139-F184 HydrophobicContact CG-CD2 4.3Å; D143-F184 HydrophobicContact CB-CB 4.39Å; D143-F184 VanDerWaalsContact OD1-CA 3.23Å; D143-F184 WeakPolarHBondContact OD1-CA 3.41Å; F180-F184 HydrophobicContact CE1-CE2 4.47Å; R181-F184 PolarHBondContact O-N 3.09Å; Q182-F184 PolarHBondContact O-N 3.22Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 2.97Å; F184-T187 PolarHBondContact O-N 2.7Å; F184-N188 WeakPolarHBondContact O-CB 3.19Å; F184-N188 PolarHBondContact O-N 2.67Å; F184-N188 PolarHBondContact O-ND2 3.07Å; F184-N188 VanDerWaalsContact O-ND2 3.09Å | ||
| 185 | P | 98.7 | Very high | 98.2 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -36.6 | -172.3 | 26.6 | -35.8 | 0 | 0 | 0 | 114.1 | D143 A183 R189 | D143-P185 WeakPolarHBondContact OD1-CD 3.26Å; D143-P185 VanDerWaalsContact OD1-N 3.08Å; A183-P185 VanDerWaalsContact C-CD 3.42Å; A183-P185 WeakPolarHBondContact O-CD 3.47Å; P185-R189 VanDerWaalsContact O-CB 3.24Å; P185-R189 WeakPolarHBondContact O-CB 3.37Å; P185-R189 PolarHBondContact O-N 3.41Å |
| 186 | N | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72 | -41.7 | -179.9 | -58.2 | -62.6 | 0 | 0 | 0 | 111 | D143 L146 F184 R189 W190 | D143-N186 WeakPolarHBondContact OD1-CA 3.34Å; D143-N186 VanDerWaalsContact OD1-CB 3.27Å; D143-N186 WeakPolarHBondContact OD1-CB 3.18Å; D143-N186 PolarHBondContact OD1-N 3.28Å; D143-N186 PolarHBondContact OD1-ND2 2.6Å; D143-N186 PolarHBondContact OD2-ND2 3.48Å; L146-N186 HydrophobicContact CB-CB 4.07Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 2.97Å; N186-R189 PolarHBondContact O-N 3.28Å; N186-W190 WeakPolarHBondContact O-CB 3.46Å; N186-W190 PolarHBondContact O-N 3.09Å |
| 187 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 174.7 | -55.2 | 0 | 0 | 0 | 0 | 111 | L139 L142 D143 F184 R189 W190 F191 | L139-T187 HydrophobicContact CD2-CG2 3.76Å; L139-T187 PolarHBondContact O-OG1 2.85Å; L142-T187 HydrophobicContact CB-CG2 3.94Å; L142-T187 WeakPolarHBondContact CB-OG1 3.43Å; L142-T187 HydrophobicContact CD1-CG2 4.09Å; D143-T187 WeakPolarHBondContact CA-OG1 3.47Å; D143-T187 WeakPolarHBondContact CB-OG1 3.15Å; D143-T187 PolarHBondContact N-OG1 3.14Å; D143-T187 PolarHBondContact OD1-N 2.92Å; F184-T187 PolarHBondContact O-N 2.7Å; T187-R189 PolarHBondContact O-N 2.61Å; T187-W190 HydrophobicContact CG2-CE3 4.48Å; T187-W190 PolarHBondContact O-N 3.38Å; T187-F191 WeakPolarHBondContact O-CB 3.38Å; T187-F191 PolarHBondContact O-N 2.9Å |
| 188 | N | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.2 | -67 | -31 | 0 | 0 | 0 | 111.5 | Y172 R181 F184 F191 L192 | Y172-N188 PolarHBondContact OH-OD1 2.78Å; Y172-N188 VanDerWaalsContact OH-OD1 3.04Å; R181-N188 PolarHBondContact O-ND2 2.95Å; F184-N188 WeakPolarHBondContact O-CB 3.19Å; F184-N188 PolarHBondContact O-N 2.67Å; F184-N188 PolarHBondContact O-ND2 3.07Å; F184-N188 VanDerWaalsContact O-ND2 3.09Å; N188-F191 PolarHBondContact O-N 3.31Å; N188-L192 WeakPolarHBondContact O-CB 3.38Å; N188-L192 WeakPolarHBondContact O-CG 3.45Å; N188-L192 PolarHBondContact O-N 3.46Å |
| 189 | R | 98.8 | Very high | 98.5 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 178.6 | 175.7 | -92.5 | -59.9 | -169.3 | 4.9 | 111.1 | L146 R149 P185 N186 T187 L192 T193 | L146-R189 PolarHBondContact O-NH2 2.9Å; R149-R189 PolarHBondContact O-NH1 3.16Å; R149-R189 PolarHBondContact O-NH2 3.46Å; P185-R189 VanDerWaalsContact O-CB 3.24Å; P185-R189 WeakPolarHBondContact O-CB 3.37Å; P185-R189 PolarHBondContact O-N 3.41Å; N186-R189 PolarHBondContact O-N 3.28Å; T187-R189 PolarHBondContact O-N 2.61Å; R189-L192 PolarHBondContact O-N 3.31Å; R189-T193 WeakPolarHBondContact O-CB 3.4Å; R189-T193 PolarHBondContact O-N 3.47Å; R189-T193 PolarHBondContact O-OG1 3.23Å |
| 190 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.8 | 162.4 | 82.8 | 0 | 0 | 0 | 111.8 | L146 L152 D161 V164 V165 L168 N186 T187 L192 T193 C194 | L146-W190 HydrophobicContact CD1-CB 3.61Å; L146-W190 HydrophobicContact CD1-CD2 3.75Å; L146-W190 HydrophobicContact CD1-CE3 3.99Å; L146-W190 HydrophobicContact CD1-CG 3.58Å; L146-W190 HydrophobicContact CD2-CB 4.05Å; L146-W190 HydrophobicContact CD2-CD2 4.48Å; L146-W190 HydrophobicContact CD2-CG 3.78Å; L146-W190 HydrophobicContact CG-CB 4.34Å; L146-W190 HydrophobicContact CG-CG 4.33Å; L152-W190 HydrophobicContact CD1-CZ2 3.84Å; L152-W190 HydrophobicContact CG-CZ2 4.15Å; D161-W190 HydrophobicContact CB-CZ2 4.26Å; D161-W190 PolarHBondContact OD1-NE1 3.43Å; V164-W190 HydrophobicContact CB-CH2 3.82Å; V164-W190 HydrophobicContact CB-CZ2 4.29Å; V164-W190 HydrophobicContact CG1-CH2 3.54Å; V164-W190 HydrophobicContact CG1-CZ2 4.36Å; V164-W190 HydrophobicContact CG1-CZ3 4.19Å; V165-W190 HydrophobicContact CB-CH2 4.39Å; V165-W190 HydrophobicContact CG2-CH2 3.4Å; V165-W190 HydrophobicContact CG2-CZ2 3.54Å; V165-W190 HydrophobicContact CG2-CZ3 4.07Å; L168-W190 HydrophobicContact CD1-CZ3 4.09Å; N186-W190 WeakPolarHBondContact O-CB 3.46Å; N186-W190 PolarHBondContact O-N 3.09Å; T187-W190 HydrophobicContact CG2-CE3 4.48Å; T187-W190 PolarHBondContact O-N 3.38Å; W190-L192 PolarHBondContact O-N 2.97Å; W190-T193 WeakPolarHBondContact O-CB 3.37Å; W190-T193 PolarHBondContact O-N 3.22Å; W190-C194 PolarHBondContact O-N 2.95Å; W190-C194 PolarHBondContact O-SG 3.39Å; W190-C194 VanDerWaalsContact O-SG 3.37Å |
| 191 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 179 | -178.6 | -92.7 | 0 | 0 | 0 | 110.8 | V165 L168 L169 Y172 T187 N188 T193 C194 I195 L209 | V165-F191 HydrophobicContact CB-CE2 4.48Å; V165-F191 HydrophobicContact CG1-CD2 4.16Å; V165-F191 HydrophobicContact CG1-CE2 3.82Å; V165-F191 HydrophobicContact CG2-CD2 4.31Å; L168-F191 HydrophobicContact CB-CD2 4.44Å; L168-F191 HydrophobicContact CB-CE2 4.2Å; L169-F191 HydrophobicContact CD1-CZ 4.13Å; Y172-F191 HydrophobicContact CD1-CD1 4.01Å; Y172-F191 HydrophobicContact CD1-CE1 4.06Å; Y172-F191 AromaticContact CD2-CD1 3.83Å; Y172-F191 HydrophobicContact CD2-CD1 3.83Å; Y172-F191 AromaticContact CD2-CD2 3.6Å; Y172-F191 HydrophobicContact CD2-CD2 3.6Å; Y172-F191 AromaticContact CD2-CE1 3.73Å; Y172-F191 HydrophobicContact CD2-CE1 3.73Å; Y172-F191 AromaticContact CD2-CE2 3.49Å; Y172-F191 HydrophobicContact CD2-CE2 3.49Å; Y172-F191 VanDerWaalsContact CD2-CE2 3.49Å; Y172-F191 AromaticContact CD2-CG 3.77Å; Y172-F191 HydrophobicContact CD2-CG 3.77Å; Y172-F191 AromaticContact CD2-CZ 3.56Å; Y172-F191 HydrophobicContact CD2-CZ 3.56Å; Y172-F191 HydrophobicContact CE1-CD1 4.12Å; Y172-F191 HydrophobicContact CE1-CG 4.37Å; Y172-F191 HydrophobicContact CE2-CB 4Å; Y172-F191 AromaticContact CE2-CD1 3.95Å; Y172-F191 HydrophobicContact CE2-CD1 3.95Å; Y172-F191 AromaticContact CE2-CD2 3.55Å; Y172-F191 HydrophobicContact CE2-CD2 3.55Å; Y172-F191 HydrophobicContact CE2-CE1 4.33Å; Y172-F191 AromaticContact CE2-CE2 3.96Å; Y172-F191 HydrophobicContact CE2-CE2 3.96Å; Y172-F191 AromaticContact CE2-CG 3.55Å; Y172-F191 HydrophobicContact CE2-CG 3.55Å; Y172-F191 HydrophobicContact CE2-CZ 4.34Å; Y172-F191 AromaticContact CG-CD1 3.85Å; Y172-F191 HydrophobicContact CG-CD1 3.85Å; Y172-F191 HydrophobicContact CG-CD2 4.41Å; Y172-F191 AromaticContact CG-CE1 3.57Å; Y172-F191 HydrophobicContact CG-CE1 3.57Å; Y172-F191 HydrophobicContact CG-CE2 4.16Å; Y172-F191 HydrophobicContact CG-CG 4.27Å; Y172-F191 AromaticContact CG-CZ 3.74Å; Y172-F191 HydrophobicContact CG-CZ 3.74Å; Y172-F191 AromaticContact CZ-CG 3.86Å; T187-F191 WeakPolarHBondContact O-CB 3.38Å; T187-F191 PolarHBondContact O-N 2.9Å; N188-F191 PolarHBondContact O-N 3.31Å; F191-T193 VanDerWaalsContact C-N 3.35Å; F191-T193 PolarHBondContact O-N 2.97Å; F191-C194 PolarHBondContact O-N 3.13Å; F191-I195 HydrophobicContact CD1-CD1 4.35Å; F191-I195 HydrophobicContact CD1-CG1 4.45Å; F191-I195 HydrophobicContact CD1-CG2 4.31Å; F191-I195 HydrophobicContact CE1-CD1 3.93Å; F191-I195 HydrophobicContact CE1-CG1 4.33Å; F191-I195 HydrophobicContact CE1-CG2 3.86Å; F191-I195 HydrophobicContact CE2-CG2 4.15Å; F191-I195 HydrophobicContact CZ-CG2 3.76Å; F191-I195 WeakPolarHBondContact O-CG1 3.38Å; F191-I195 PolarHBondContact O-N 3.19Å; F191-L209 HydrophobicContact CD1-CD2 4.46Å; F191-L209 HydrophobicContact CE1-CD2 3.96Å |
| 192 | L | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.366 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.6 | -76.4 | 174.8 | 0 | 0 | 0 | 112.7 | N188 R189 W190 I195 N196 L209 | N188-L192 WeakPolarHBondContact O-CB 3.38Å; N188-L192 WeakPolarHBondContact O-CG 3.45Å; N188-L192 PolarHBondContact O-N 3.46Å; R189-L192 PolarHBondContact O-N 3.31Å; W190-L192 PolarHBondContact O-N 2.97Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; L192-N196 WeakPolarHBondContact O-CB 3.29Å; L192-N196 PolarHBondContact O-N 2.95Å; L192-N196 PolarHBondContact O-ND2 3.09Å; L192-L209 HydrophobicContact CD2-CD1 3.88Å; L192-L209 HydrophobicContact CD2-CG 4.41Å |
| 193 | T | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 175 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | F151 R189 W190 F191 Q197 | F151-T193 HydrophobicContact CE1-CG2 4.18Å; F151-T193 HydrophobicContact CZ-CG2 4.25Å; R189-T193 WeakPolarHBondContact O-CB 3.4Å; R189-T193 PolarHBondContact O-N 3.47Å; R189-T193 PolarHBondContact O-OG1 3.23Å; W190-T193 WeakPolarHBondContact O-CB 3.37Å; W190-T193 PolarHBondContact O-N 3.22Å; F191-T193 VanDerWaalsContact C-N 3.35Å; F191-T193 PolarHBondContact O-N 2.97Å; T193-Q197 WeakPolarHBondContact O-CG 3.44Å; T193-Q197 PolarHBondContact O-N 3Å |
| 194 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -52.6 | -178 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | V165 W190 F191 N196 Q197 F200 | V165-C194 HydrophobicContact CG2-CB 3.61Å; W190-C194 PolarHBondContact O-N 2.95Å; W190-C194 PolarHBondContact O-SG 3.39Å; W190-C194 VanDerWaalsContact O-SG 3.37Å; F191-C194 PolarHBondContact O-N 3.13Å; C194-N196 PolarHBondContact O-N 3.09Å; C194-N196 VanDerWaalsContact O-N 3.09Å; C194-Q197 WeakPolarHBondContact O-CB 3.29Å; C194-Q197 WeakPolarHBondContact O-CG 3.46Å; C194-Q197 PolarHBondContact O-N 2.74Å; C194-F200 HydrophobicContact CB-CE1 4.31Å; C194-F200 HydrophobicContact CB-CE2 4.47Å; C194-F200 HydrophobicContact CB-CZ 4.17Å; C194-F200 VanDerWaalsContact O-CB 3.24Å; C194-F200 WeakPolarHBondContact O-CB 3.38Å; C194-F200 VanDerWaalsContact O-CD2 3.24Å; C194-F200 WeakPolarHBondContact O-CD2 3.27Å; C194-F200 WeakPolarHBondContact O-CG 3.12Å |
| 195 | I | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -20.4 | -176.1 | 61.5 | 155.5 | 0 | 0 | 0 | 113.4 | V165 F191 L192 L204 V207 | V165-I195 HydrophobicContact CG1-CG2 3.59Å; F191-I195 HydrophobicContact CD1-CD1 4.35Å; F191-I195 HydrophobicContact CD1-CG1 4.45Å; F191-I195 HydrophobicContact CD1-CG2 4.31Å; F191-I195 HydrophobicContact CE1-CD1 3.93Å; F191-I195 HydrophobicContact CE1-CG1 4.33Å; F191-I195 HydrophobicContact CE1-CG2 3.86Å; F191-I195 HydrophobicContact CE2-CG2 4.15Å; F191-I195 HydrophobicContact CZ-CG2 3.76Å; F191-I195 WeakPolarHBondContact O-CG1 3.38Å; F191-I195 PolarHBondContact O-N 3.19Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; I195-L204 HydrophobicContact CG2-CD1 4.11Å; I195-V207 HydrophobicContact CD1-CB 3.77Å; I195-V207 HydrophobicContact CD1-CG1 4.12Å; I195-V207 HydrophobicContact CD1-CG2 4.33Å |
| 196 | N | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -0.9 | 176.8 | -73.9 | -67 | 0 | 0 | 0 | 114.1 | L192 C194 R201 | L192-N196 WeakPolarHBondContact O-CB 3.29Å; L192-N196 PolarHBondContact O-N 2.95Å; L192-N196 PolarHBondContact O-ND2 3.09Å; C194-N196 PolarHBondContact O-N 3.09Å; C194-N196 VanDerWaalsContact O-N 3.09Å; N196-R201 PolarHBondContact OD1-NH2 2.79Å |
| 197 | Q | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 46 Ų | 46 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -61.7 | 143.5 | 167.3 | -66.9 | -60.7 | -30 | 0 | 0 | 109.9 | Y24 T193 C194 Q199 F200 R201 | Y24-Q197 WeakPolarHBondContact OH-CB 3.4Å; T193-Q197 WeakPolarHBondContact O-CG 3.44Å; T193-Q197 PolarHBondContact O-N 3Å; C194-Q197 WeakPolarHBondContact O-CB 3.29Å; C194-Q197 WeakPolarHBondContact O-CG 3.46Å; C194-Q197 PolarHBondContact O-N 2.74Å; Q197-Q199 PolarHBondContact O-N 3.21Å; Q197-Q199 VanDerWaalsContact O-N 3.13Å; Q197-F200 HydrophobicContact CB-CD2 3.97Å; Q197-F200 PolarHBondContact O-N 2.93Å; Q197-R201 PolarHBondContact O-N 3.47Å |
| 198 | P | 98.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 52.1 Ų | 52.1 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -51.8 | -40.6 | -178.5 | -28.2 | 35 | 0 | 0 | 0 | 113.6 | R201 A202 | P198-R201 PolarHBondContact O-N 3.31Å; P198-A202 VanDerWaalsContact O-CB 3.3Å; P198-A202 WeakPolarHBondContact O-CB 3.3Å; P198-A202 PolarHBondContact O-N 2.87Å |
| 199 | Q | 98.7 | Very high | 98.3 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -36.6 | -179.4 | -64.1 | 85.4 | -9.1 | 0 | 0 | 112.8 | Q23 Y24 Q197 | Q23-Q199 HydrophobicContact CB-CB 3.65Å; Q23-Q199 HydrophobicContact CB-CG 3.86Å; Y24-Q199 HydrophobicContact CD1-CB 4.45Å; Y24-Q199 HydrophobicContact CD1-CG 3.79Å; Y24-Q199 HydrophobicContact CD2-CB 3.68Å; Y24-Q199 HydrophobicContact CD2-CG 3.84Å; Y24-Q199 HydrophobicContact CE1-CB 4.16Å; Y24-Q199 HydrophobicContact CE1-CG 3.71Å; Y24-Q199 HydrophobicContact CE2-CB 3.33Å; Y24-Q199 HydrophobicContact CE2-CG 3.77Å; Y24-Q199 HydrophobicContact CG-CB 4.21Å; Y24-Q199 HydrophobicContact CG-CG 3.83Å; Y24-Q199 PolarHBondContact OH-OE1 2.92Å; Q197-Q199 PolarHBondContact O-N 3.21Å; Q197-Q199 VanDerWaalsContact O-N 3.13Å |
| 200 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.3 | -49 | 173.9 | -80.9 | -106.5 | 0 | 0 | 0 | 110.6 | I20 Y24 V157 I162 V165 C194 Q197 A202 V203 L204 | I20-F200 HydrophobicContact CD1-CD1 3.7Å; I20-F200 HydrophobicContact CD1-CE1 3.99Å; I20-F200 HydrophobicContact CD1-CG 4.29Å; I20-F200 HydrophobicContact CG1-CD1 4.49Å; I20-F200 HydrophobicContact CG2-CD1 4.17Å; I20-F200 HydrophobicContact CG2-CD2 3.73Å; I20-F200 HydrophobicContact CG2-CE1 4.18Å; I20-F200 HydrophobicContact CG2-CE2 3.79Å; I20-F200 HydrophobicContact CG2-CG 3.96Å; I20-F200 HydrophobicContact CG2-CZ 4.02Å; Y24-F200 HydrophobicContact CE2-CD2 4.09Å; Y24-F200 AromaticContact CE2-CE2 3.91Å; Y24-F200 HydrophobicContact CE2-CE2 3.91Å; V157-F200 HydrophobicContact CG1-CE2 3.97Å; V157-F200 HydrophobicContact CG1-CZ 4.47Å; I162-F200 HydrophobicContact CB-CZ 4.2Å; I162-F200 HydrophobicContact CG1-CE1 4.44Å; I162-F200 HydrophobicContact CG1-CE2 4.02Å; I162-F200 HydrophobicContact CG1-CZ 3.59Å; V165-F200 HydrophobicContact CB-CE1 3.92Å; V165-F200 HydrophobicContact CG1-CD1 4.09Å; V165-F200 HydrophobicContact CG1-CE1 3.69Å; V165-F200 HydrophobicContact CG2-CE1 4.26Å; C194-F200 HydrophobicContact CB-CE1 4.31Å; C194-F200 HydrophobicContact CB-CE2 4.47Å; C194-F200 HydrophobicContact CB-CZ 4.17Å; C194-F200 VanDerWaalsContact O-CB 3.24Å; C194-F200 WeakPolarHBondContact O-CB 3.38Å; C194-F200 VanDerWaalsContact O-CD2 3.24Å; C194-F200 WeakPolarHBondContact O-CD2 3.27Å; C194-F200 WeakPolarHBondContact O-CG 3.12Å; Q197-F200 HydrophobicContact CB-CD2 3.97Å; Q197-F200 PolarHBondContact O-N 2.93Å; F200-A202 PolarHBondContact O-N 3.21Å; F200-V203 PolarHBondContact O-N 3.46Å; F200-L204 HydrophobicContact CB-CD1 4.46Å; F200-L204 HydrophobicContact CD1-CD1 4.02Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 2.81Å |
| 201 | R | 98.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -33.1 | -179.3 | -175.3 | 176.2 | -86 | -125.2 | -3.1 | 112.2 | N196 Q197 P198 V203 G205 E206 | N196-R201 PolarHBondContact OD1-NH2 2.79Å; Q197-R201 PolarHBondContact O-N 3.47Å; P198-R201 PolarHBondContact O-N 3.31Å; R201-V203 PolarHBondContact O-N 3.41Å; R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.3Å; R201-G205 PolarHBondContact O-N 3.37Å; R201-E206 IonicContact NH2-OE1 3.38Å |
| 202 | A | 98.3 | Very high | 97.5 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 55% | 0.554 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.2 | -25.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q23 P198 F200 | Q23-A202 HydrophobicContact CG-CB 4.3Å; P198-A202 VanDerWaalsContact O-CB 3.3Å; P198-A202 WeakPolarHBondContact O-CB 3.3Å; P198-A202 PolarHBondContact O-N 2.87Å; F200-A202 PolarHBondContact O-N 3.21Å |
| 203 | V | 98.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -104.8 | -45.2 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | F16 L19 I20 Q23 F200 R201 | F16-V203 HydrophobicContact CB-CG1 4.2Å; F16-V203 HydrophobicContact CD1-CG1 3.8Å; F16-V203 HydrophobicContact CE1-CG1 4.44Å; F16-V203 HydrophobicContact CG-CG1 4.17Å; L19-V203 HydrophobicContact CB-CG1 3.77Å; L19-V203 HydrophobicContact CB-CG2 3.9Å; L19-V203 HydrophobicContact CD1-CG1 4.18Å; I20-V203 HydrophobicContact CG1-CB 3.75Å; I20-V203 HydrophobicContact CG1-CG1 4.02Å; I20-V203 HydrophobicContact CG1-CG2 3.83Å; Q23-V203 HydrophobicContact CG-CG2 3.85Å; F200-V203 PolarHBondContact O-N 3.46Å; R201-V203 PolarHBondContact O-N 3.41Å |
| 204 | L | 97.7 | Very high | 96.2 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.3 | -15.9 | -174.8 | -56.9 | -175.5 | 0 | 0 | 0 | 113.1 | F16 I20 L169 I195 F200 V207 | F16-L204 HydrophobicContact CB-CD2 4.06Å; F16-L204 HydrophobicContact CD2-CD2 3.38Å; F16-L204 HydrophobicContact CE2-CD2 3.87Å; F16-L204 HydrophobicContact CG-CD2 3.82Å; I20-L204 HydrophobicContact CD1-CD1 4.33Å; I20-L204 HydrophobicContact CD1-CD2 4.16Å; I20-L204 HydrophobicContact CD1-CG 4.15Å; L169-L204 HydrophobicContact CD1-CD1 4.39Å; L169-L204 HydrophobicContact CD2-CD1 4.44Å; L169-L204 HydrophobicContact CD2-CD2 3.83Å; I195-L204 HydrophobicContact CG2-CD1 4.11Å; F200-L204 HydrophobicContact CB-CD1 4.46Å; F200-L204 HydrophobicContact CD1-CD1 4.02Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 2.81Å; L204-V207 HydrophobicContact CB-CG2 3.93Å; L204-V207 HydrophobicContact CD1-CG2 4.45Å |
| 205 | G | 97.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | trans | 63.7 | -151.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112 | R201 | R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.3Å; R201-G205 PolarHBondContact O-N 3.37Å | ||
| 206 | E | 97.1 | Very high | 94.3 | Very high | 161 Ų | 161 | 70.9 Ų | 70.9 | 75% | 0.752 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -82.8 | 120.4 | 173.1 | -174.4 | 145.4 | -135.3 | 0 | 0 | 110.6 | R201 | R201-E206 IonicContact NH2-OE1 3.38Š|
| 207 | V | 97.6 | Very high | 93 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | trans | -97.8 | 109.7 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L169 K173 I195 L204 | L169-V207 HydrophobicContact CD1-CG1 3.84Å; L169-V207 HydrophobicContact CD1-CG2 4.12Å; K173-V207 HydrophobicContact CD-CG1 4.3Å; K173-V207 HydrophobicContact CG-CG1 3.92Å; I195-V207 HydrophobicContact CD1-CB 3.77Å; I195-V207 HydrophobicContact CD1-CG1 4.12Å; I195-V207 HydrophobicContact CD1-CG2 4.33Å; L204-V207 HydrophobicContact CB-CG2 3.93Å; L204-V207 HydrophobicContact CD1-CG2 4.45Å | ||
| 208 | K | 96.6 | Very high | 91.6 | Very high | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 122.9 | 169.4 | -173.8 | 179.4 | 176.4 | -178.7 | 0 | 110 | E211 | K208-E211 WeakPolarHBondContact CE-OE1 3.45Å; K208-E211 WeakPolarHBondContact CE-OE2 3.05Å; K208-E211 IonicContact NZ-OE1 3.7Å; K208-E211 PolarHBondContact NZ-OE1 2.97Å; K208-E211 IonicContact NZ-OE2 2.61Å; K208-E211 PolarHBondContact NZ-OE2 3Å |
| 209 | L | 97.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 151.1 | 172.9 | -58.5 | -169.9 | 0 | 0 | 0 | 111.2 | Y172 F191 L192 E211 | Y172-L209 HydrophobicContact CD1-CD2 4Å; Y172-L209 HydrophobicContact CG-CD2 4.4Å; F191-L209 HydrophobicContact CD1-CD2 4.46Å; F191-L209 HydrophobicContact CE1-CD2 3.96Å; L192-L209 HydrophobicContact CD2-CD1 3.88Å; L192-L209 HydrophobicContact CD2-CG 4.41Å; L209-E211 PolarHBondContact O-N 3.38Å |
| 210 | C | 96 | Very high | 88.9 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 124.4 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | Y172 Q174 R181 K212 | Y172-C210 VanDerWaalsContact O-CB 3.27Å; Y172-C210 WeakPolarHBondContact O-CB 3.27Å; Y172-C210 PolarHBondContact O-N 3.41Å; Q174-C210 VanDerWaalsContact C-SG 3.55Å; Q174-C210 PolarHBondContact O-SG 3.27Å; R181-C210 PolarHBondContact NH1-O 2.76Å; C210-K212 PolarHBondContact SG-O 3.3Å |
| 211 | E | 94.5 | Very high | 87.3 | Confident | 136 Ų | 136 | 76.8 Ų | 76.8 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -90.8 | -38.6 | 174.2 | -72.5 | 168.3 | 173.1 | 0 | 0 | 111.1 | P178 K208 L209 | P178-E211 VanDerWaalsContact CD-O 3.28Å; P178-E211 WeakPolarHBondContact CD-O 3.03Å; K208-E211 WeakPolarHBondContact CE-OE1 3.45Å; K208-E211 WeakPolarHBondContact CE-OE2 3.05Å; K208-E211 IonicContact NZ-OE1 3.7Å; K208-E211 PolarHBondContact NZ-OE1 2.97Å; K208-E211 IonicContact NZ-OE2 2.61Å; K208-E211 PolarHBondContact NZ-OE2 3Å; L209-E211 PolarHBondContact O-N 3.38Å |
| 212 | K | 90.6 | Very high | 86 | Confident | 167 Ų | 167 | 74.9 Ų | 74.9 | 73% | 0.726 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -141.6 | 136.2 | 177.1 | -174.6 | 177.9 | -179.8 | -176.9 | 0 | 108.5 | C210 A214 | C210-K212 PolarHBondContact SG-O 3.3Å; K212-A214 PolarHBondContact O-N 2.98Å; K212-A214 VanDerWaalsContact O-N 3.16Å |
| 213 | M | 88.7 | Confident | 84.7 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 20% | 0.202 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 120.2 | -176.2 | -174.1 | 179.5 | -56.2 | 0 | 0 | 111.2 | W113 V175 E177 F180 | W113-M213 HydrophobicContact CH2-CE 4.33Å; W113-M213 HydrophobicContact CZ2-CE 3.52Å; W113-M213 HydrophobicContact CZ2-SD 3.81Å; V175-M213 HydrophobicContact CB-CG 3.91Å; V175-M213 HydrophobicContact CG1-CG 4.13Å; E177-M213 HydrophobicContact CG-CB 4.38Å; E177-M213 PolarHBondContact OE2-N 3.41Å; F180-M213 HydrophobicContact CD2-CE 4.41Å |
| 214 | A | 81.5 | Confident | 83.1 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 137.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T117 Q174 K212 | T117-A214 HydrophobicContact CG2-CB 4.06Å; T117-A214 VanDerWaalsContact CG2-O 3.29Å; T117-A214 WeakPolarHBondContact CG2-O 3.36Å; Q174-A214 HydrophobicContact CB-CB 4.4Å; Q174-A214 WeakPolarHBondContact O-CB 3.37Å; Q174-A214 PolarHBondContact O-N 3.42Å; K212-A214 PolarHBondContact O-N 2.98Å; K212-A214 VanDerWaalsContact O-N 3.16Å |
| 215 | Q | 81 | Confident | 81.1 | Confident | 153 Ų | 153 | 84.2 Ų | 84.2 | 72% | 0.715 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 169 | 176.7 | -64.6 | -173.5 | -11.3 | 0 | 0 | 110.6 | D217 | Q215-D217 PolarHBondContact O-N 3.25Š|
| 216 | F | 76.1 | Confident | 78.6 | Confident | 61 Ų | 61 | 87.9 Ų | 87.9 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.2 | 175.4 | 174.2 | -105.9 | 0 | 0 | 0 | 110.7 | P116 H122 H123 A218 F221 | P116-F216 HydrophobicContact CB-CD2 3.94Å; P116-F216 VanDerWaalsContact O-CD2 3.26Å; P116-F216 WeakPolarHBondContact O-CD2 3.36Å; H122-F216 AromaticContact ND1-CZ 3.89Å; H123-F216 HydrophobicContact CB-CB 3.76Å; H123-F216 HydrophobicContact CB-CD1 4.43Å; H123-F216 HydrophobicContact CB-CD2 3.88Å; H123-F216 HydrophobicContact CB-CG 3.76Å; F216-A218 HydrophobicContact CE1-CB 3.87Å; F216-A218 HydrophobicContact CZ-CB 4.49Å; F216-F221 HydrophobicContact CE2-CB 3.95Å; F216-F221 HydrophobicContact CE2-CD2 4.21Å; F216-F221 HydrophobicContact CE2-CG 4.1Å; F216-F221 HydrophobicContact CZ-CB 3.87Å; F216-F221 HydrophobicContact CZ-CD1 4.4Å; F216-F221 HydrophobicContact CZ-CG 4.02Å |
| 217 | D | 71 | Confident | 76.1 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | trans | -111.6 | 101.5 | 179.2 | -176.1 | -24 | 0 | 0 | 0 | 109.2 | Q215 K219 K220 F221 | Q215-D217 PolarHBondContact O-N 3.25Å; D217-K219 PolarHBondContact O-N 3.34Å; D217-K219 WeakPolarHBondContact OD1-CB 3.32Å; D217-K219 PolarHBondContact OD1-N 3.41Å; D217-K220 HydrophobicContact CB-CB 4.04Å; D217-K220 HydrophobicContact CB-CD 4.1Å; D217-K220 HydrophobicContact CB-CG 4.22Å; D217-K220 PolarHBondContact O-N 3.07Å; D217-K220 PolarHBondContact OD1-N 2.89Å; D217-K220 WeakPolarHBondContact OD2-CD 3.39Å; D217-K220 WeakPolarHBondContact OD2-CE 3.26Å; D217-K220 WeakPolarHBondContact OD2-CG 3.31Å; D217-F221 PolarHBondContact O-N 2.89Å | ||
| 218 | A | 69 | Low | 73.1 | Confident | 44 Ų | 44 | 97.5 Ų | 97.5 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -30.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F216 A222 A269 | F216-A218 HydrophobicContact CE1-CB 3.87Å; F216-A218 HydrophobicContact CZ-CB 4.49Å; A218-A222 PolarHBondContact O-N 3.46Å; A218-A222 VanDerWaalsContact O-N 3.09Å; A218-A269 HydrophobicContact CB-CB 4.48Å |
| 219 | K | 71 | Confident | 70 | Confident | 166 Ų | 166 | 99 Ų | 99 | 72% | 0.722 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.9 | -48.5 | 177.3 | -73.5 | -178.6 | 179.5 | 173.5 | 0 | 110.7 | D217 F221 A222 E223 | D217-K219 PolarHBondContact O-N 3.34Å; D217-K219 WeakPolarHBondContact OD1-CB 3.32Å; D217-K219 PolarHBondContact OD1-N 3.41Å; K219-F221 PolarHBondContact O-N 2.75Å; K219-A222 PolarHBondContact O-N 3.38Å; K219-A222 VanDerWaalsContact O-N 3.1Å; K219-E223 WeakPolarHBondContact O-CG 3.49Å; K219-E223 PolarHBondContact O-N 2.88Å; K219-E223 VanDerWaalsContact O-N 3.1Å |
| 220 | K | 70.2 | Confident | 66.8 | Low | 96 Ų | 96 | 103 Ų | 103 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 174.3 | -76.8 | -179.5 | -173.1 | 171.4 | 0 | 111.8 | D217 A222 E223 T224 | D217-K220 HydrophobicContact CB-CB 4.04Å; D217-K220 HydrophobicContact CB-CD 4.1Å; D217-K220 HydrophobicContact CB-CG 4.22Å; D217-K220 PolarHBondContact O-N 3.07Å; D217-K220 PolarHBondContact OD1-N 2.89Å; D217-K220 WeakPolarHBondContact OD2-CD 3.39Å; D217-K220 WeakPolarHBondContact OD2-CE 3.26Å; D217-K220 WeakPolarHBondContact OD2-CG 3.31Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.93Å; K220-E223 PolarHBondContact O-N 3.14Å; K220-T224 PolarHBondContact O-N 3.37Å; K220-T224 VanDerWaalsContact O-N 3.12Å; K220-T224 PolarHBondContact O-OG1 2.91Å |
| 221 | F | 65 | Low | 63.6 | Low | 41 Ų | 41 | 108.3 Ų | 108.3 | 18% | 0.18 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 175.8 | -175.6 | -100.2 | 0 | 0 | 0 | 112.5 | G119 F216 D217 K219 E223 T224 Q225 | G119-F221 WeakPolarHBondContact O-CA 3.48Å; G119-F221 WeakPolarHBondContact O-CD2 3.2Å; F216-F221 HydrophobicContact CE2-CB 3.95Å; F216-F221 HydrophobicContact CE2-CD2 4.21Å; F216-F221 HydrophobicContact CE2-CG 4.1Å; F216-F221 HydrophobicContact CZ-CB 3.87Å; F216-F221 HydrophobicContact CZ-CD1 4.4Å; F216-F221 HydrophobicContact CZ-CG 4.02Å; D217-F221 PolarHBondContact O-N 2.89Å; K219-F221 PolarHBondContact O-N 2.75Å; F221-E223 VanDerWaalsContact C-N 3.33Å; F221-E223 PolarHBondContact O-N 3.13Å; F221-T224 PolarHBondContact O-OG1 3.31Å; F221-Q225 HydrophobicContact CE1-CG 4.34Å; F221-Q225 HydrophobicContact CZ-CG 4.46Å; F221-Q225 VanDerWaalsContact CZ-NE2 3.34Å; F221-Q225 WeakPolarHBondContact O-CG 3.27Å; F221-Q225 PolarHBondContact O-N 3.09Å |
| 222 | A | 70.6 | Confident | 60.4 | Low | 69 Ų | 69 | 113.5 Ų | 113.5 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.5 | -31.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A218 K219 K220 | A218-A222 PolarHBondContact O-N 3.46Å; A218-A222 VanDerWaalsContact O-N 3.09Å; K219-A222 PolarHBondContact O-N 3.38Å; K219-A222 VanDerWaalsContact O-N 3.1Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.93Å |
| 223 | E | 70.8 | Confident | 57.6 | Low | 157 Ų | 157 | 115.4 Ų | 115.4 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75 | -32.2 | -180 | -71.3 | 176.2 | 175.5 | 0 | 0 | 113.7 | K219 K220 F221 | K219-E223 WeakPolarHBondContact O-CG 3.49Å; K219-E223 PolarHBondContact O-N 2.88Å; K219-E223 VanDerWaalsContact O-N 3.1Å; K220-E223 PolarHBondContact O-N 3.14Å; F221-E223 VanDerWaalsContact C-N 3.33Å; F221-E223 PolarHBondContact O-N 3.13Å |
| 224 | T | 64.5 | Low | 54.8 | Low | 76 Ų | 76 | 122.4 Ų | 122.4 | 47% | 0.466 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -81.5 | -15.4 | 179.1 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | G119 K220 F221 | G119-T224 PolarHBondContact O-OG1 3.24Å; K220-T224 PolarHBondContact O-N 3.37Å; K220-T224 VanDerWaalsContact O-N 3.12Å; K220-T224 PolarHBondContact O-OG1 2.91Å; F221-T224 PolarHBondContact O-OG1 3.31Å |
| 225 | Q | 55.9 | Low | 52.2 | Low | 87 Ų | 87 | 131.3 Ų | 131.3 | 41% | 0.407 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -71.3 | 138.6 | 174.1 | -68.6 | -58.7 | -44.2 | 0 | 0 | 110.8 | F221 K227 | F221-Q225 HydrophobicContact CE1-CG 4.34Å; F221-Q225 HydrophobicContact CZ-CG 4.46Å; F221-Q225 VanDerWaalsContact CZ-NE2 3.34Å; F221-Q225 WeakPolarHBondContact O-CG 3.27Å; F221-Q225 PolarHBondContact O-N 3.09Å; Q225-K227 PolarHBondContact O-N 3.23Å |
| 226 | P | 45.3 | Very low | 49.9 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | trans | -59.6 | 117.4 | 174.5 | 23.3 | -30.5 | 0 | 0 | 0 | 109.1 | K228 | P226-K228 PolarHBondContact O-N 3.36Š| ||
| 227 | K | 44.7 | Very low | 47.6 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | trans | -56.6 | 109.4 | 169.2 | -73.5 | -177.3 | 179.8 | 175.7 | 0 | 106.7 | Q225 D229 | Q225-K227 PolarHBondContact O-N 3.23Å; K227-D229 PolarHBondContact O-N 2.85Å | ||
| 228 | K | 33.7 | Very low | 45.7 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -57.2 | 106.5 | 167.3 | -87 | -177.5 | 175.2 | 175.8 | 0 | 106.5 | P226 T230 | P226-K228 PolarHBondContact O-N 3.36Å; K228-T230 PolarHBondContact O-N 3.02Å; K228-T230 PolarHBondContact O-OG1 3.43Å | ||
| 229 | D | 31.7 | Very low | 43.9 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | -56.8 | 95.1 | 167.3 | -84.8 | -41.5 | 0 | 0 | 0 | 107.5 | K227 | K227-D229 PolarHBondContact O-N 2.85Š| ||
| 230 | T | 30.2 | Very low | 41.7 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | -76.2 | 125.2 | 165.4 | -0.4 | 0 | 0 | 0 | 0 | 105 | K228 R232 | K228-T230 PolarHBondContact O-N 3.02Å; K228-T230 PolarHBondContact O-OG1 3.43Å; T230-R232 PolarHBondContact O-N 2.91Å; T230-R232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | P | 30.7 | Very low | 39.8 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 124 | 178.2 | -3.3 | 10.2 | 0 | 0 | 0 | 107.6 | K233 | P231-K233 VanDerWaalsContact C-N 3.35Å; P231-K233 PolarHBondContact O-N 3.28Å | ||
| 232 | R | 27 | Very low | 37.9 | Very low | 244 Ų | 244 | 158.8 Ų | 158.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -52 | 102.4 | 168.3 | -92.4 | 178 | 168.2 | 174.8 | -2.5 | 107.3 | T230 E234 | T230-R232 PolarHBondContact O-N 2.91Å; T230-R232 VanDerWaalsContact O-N 3.08Å; R232-E234 PolarHBondContact O-N 3.44Å; R232-E234 VanDerWaalsContact O-N 3.11Å | ||
| 233 | K | 31.2 | Very low | 36.1 | Very low | 207 Ų | 207 | 165.2 Ų | 165.2 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -61 | 115.5 | 160.5 | -92.2 | -174.7 | 174.7 | -180 | 0 | 106.5 | P231 | P231-K233 VanDerWaalsContact C-N 3.35Å; P231-K233 PolarHBondContact O-N 3.28Å | ||
| 234 | E | 30.3 | Very low | 34.1 | Very low | 188 Ų | 188 | 163.7 Ų | 163.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -46.6 | 137.4 | 171.8 | -69.2 | 175.4 | 139.9 | 0 | 0 | 110.4 | R232 G236 | R232-E234 PolarHBondContact O-N 3.44Å; R232-E234 VanDerWaalsContact O-N 3.11Å; E234-G236 VanDerWaalsContact C-N 3.3Å; E234-G236 PolarHBondContact O-N 2.8Å | ||
| 235 | K | 27.2 | Very low | 32.3 | Very low | 219 Ų | 219 | 169.6 Ų | 169.6 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | trans | -61.8 | 91.3 | 171.3 | -80.8 | 178.1 | 170.1 | -180 | 0 | 109 | ||||
| 236 | G | 32 | Very low | 31.2 | Very low | 70 Ų | 70 | 169.9 Ų | 169.9 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | trans | -82.2 | 113.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E234 | E234-G236 VanDerWaalsContact C-N 3.3Å; E234-G236 PolarHBondContact O-N 2.8Å | ||
| 237 | S | 26.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 173.7 Ų | 173.7 | 83% | 0.832 | 85% | 0.854 | S | S | * | * | trans | -46.8 | 129.5 | 171.2 | 38.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 238 | R | 31.8 | Very low | 29.6 | Very low | 242 Ų | 242 | 176.3 Ų | 176.3 | 91% | 0.913 | 86% | 0.859 | S | S | * | * | trans | -144 | 99.6 | 156.2 | -124 | 176.3 | -177.1 | 175.4 | 1.2 | 110.6 | ||||
| 239 | E | 30.8 | Very low | 29.5 | Very low | 185 Ų | 185 | 176.9 Ų | 176.9 | 86% | 0.864 | 86% | 0.861 | S | S | * | * | trans | 3.1 | 133.2 | 151.7 | -67.8 | 170.3 | 154.4 | 0 | 0 | 118.8 | K241 | E239-K241 PolarHBondContact O-N 2.78Š| ||
| 240 | E | 25.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 177.6 Ų | 177.6 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | trans | -42.1 | 124.2 | 162.5 | -66.7 | 170.1 | 129.6 | 0 | 0 | 112.9 | ||||
| 241 | K | 31 | Very low | 29.1 | Very low | 207 Ų | 207 | 179.7 Ų | 179.7 | 90% | 0.9 | 86% | 0.861 | S | S | * | * | trans | -132 | 110.1 | 146 | -84.3 | -170.8 | 177 | 176.7 | 0 | 109.9 | E239 | E239-K241 PolarHBondContact O-N 2.78Š| ||
| 242 | Q | 25.3 | Very low | 29.1 | Very low | 186 Ų | 186 | 184.2 Ų | 184.2 | 87% | 0.869 | 87% | 0.869 | S | S | * | * | trans | -48.4 | 137.7 | 166.8 | -67.9 | 164.5 | -2.7 | 0 | 0 | 111.1 | ||||
| 243 | K | 31.4 | Very low | 29.2 | Very low | 203 Ų | 203 | 181.6 Ų | 181.6 | 88% | 0.883 | 86% | 0.864 | S | S | * | * | trans | -124.9 | 133.5 | 155.6 | -96.3 | -173.6 | 175.7 | -177.1 | 0 | 109.2 | ||||
| 244 | P | 30.3 | Very low | 29 | Very low | 126 Ų | 126 | 176.8 Ų | 176.8 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -82.1 | 154.7 | -174.6 | -2.7 | 21.3 | 0 | 0 | 0 | 113 | ||||
| 245 | Q | 24.9 | Very low | 29 | Very low | 200 Ų | 200 | 172.6 Ų | 172.6 | 94% | 0.935 | 86% | 0.861 | S | S | * | * | trans | -53.3 | 136.6 | 168.5 | -75.6 | 167.9 | -26.5 | 0 | 0 | 112.4 | ||||
| 246 | A | 34 | Very low | 29.1 | Very low | 93 Ų | 93 | 166.9 Ų | 166.9 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -141.1 | 104.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | E | 31.9 | Very low | 29.1 | Very low | 190 Ų | 190 | 169.3 Ų | 169.3 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | trans | 52.2 | 112 | 137 | -62.4 | -175.5 | 161.2 | 0 | 0 | 121.1 | ||||
| 248 | R | 24.7 | Very low | 29.4 | Very low | 248 Ų | 248 | 167.4 Ų | 167.4 | 94% | 0.936 | 85% | 0.849 | S | S | * | * | trans | -64.5 | 135.3 | 153.1 | -75.8 | 172.9 | 166.8 | 175.7 | -5.5 | 110.6 | ||||
| 249 | K | 31.8 | Very low | 29.4 | Very low | 205 Ų | 205 | 161.9 Ų | 161.9 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -137.1 | 128.5 | 145.9 | -91.4 | -174.5 | 177.5 | 175.3 | 0 | 110.4 | ||||
| 250 | E | 27.2 | Very low | 29.6 | Very low | 177 Ų | 177 | 161.8 Ų | 161.8 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | trans | -48.5 | 161 | 159 | -64.7 | 159.1 | 151 | 0 | 0 | 110.1 | ||||
| 251 | E | 25.5 | Very low | 30.2 | Very low | 164 Ų | 164 | 161.7 Ų | 161.7 | 77% | 0.766 | 84% | 0.843 | S | S | * | * | cis | -178.5 | 142 | 29.9 | -140.3 | 176.3 | -172 | 0 | 0 | 105 | ||||
| 252 | K | 31.6 | Very low | 30.4 | Very low | 212 Ų | 212 | 161 Ų | 161 | 92% | 0.922 | 84% | 0.844 | S | S | * | * | trans | -169 | 101.6 | 143.6 | -109.5 | 176 | -171.5 | -177.1 | 0 | 112.8 | ||||
| 253 | K | 28.6 | Very low | 31 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | 6.9 | 126 | 144.6 | -72 | 176.7 | 175.7 | 175.8 | 0 | 120 | ||||
| 254 | A | 25.9 | Very low | 31.6 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | 63 | 98.7 | 122.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 255 | A | 31.4 | Very low | 32.5 | Very low | 101 Ų | 101 | 153.4 Ų | 153.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -138.7 | 133 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 256 | A | 29.4 | Very low | 33.5 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 257 | P | 32 | Very low | 34.2 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 127 | 166.4 | 18.9 | -7.5 | 0 | 0 | 0 | 109.3 | ||
| 258 | A | 32.1 | Very low | 35.2 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 159.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | E260 | A258-E260 PolarHBondContact O-N 3.46Å; A258-E260 VanDerWaalsContact O-N 3.09Å |
| 259 | P | 32.7 | Very low | 36.5 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.6 | -176.4 | -4.2 | 17 | 0 | 0 | 0 | 109.1 | E261 | P259-E261 PolarHBondContact O-N 3.42Å; P259-E261 VanDerWaalsContact O-N 3.13Å |
| 260 | E | 36 | Very low | 37.2 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | -61.2 | 110.6 | 163.5 | -74.5 | 175.6 | 158.9 | 0 | 0 | 106.8 | A258 E262 | A258-E260 PolarHBondContact O-N 3.46Å; A258-E260 VanDerWaalsContact O-N 3.09Å; E260-E262 PolarHBondContact O-N 3.02Å | ||
| 261 | E | 35.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | trans | -57.4 | 117.7 | 155.5 | -74.6 | -177.4 | 160.1 | 0 | 0 | 105.9 | P259 M263 | P259-E261 PolarHBondContact O-N 3.42Å; P259-E261 VanDerWaalsContact O-N 3.13Å; E261-M263 VanDerWaalsContact C-N 3.32Å; E261-M263 PolarHBondContact O-N 3.03Å | ||
| 262 | E | 36.6 | Very low | 39.3 | Very low | 193 Ų | 193 | 121.3 Ų | 121.3 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | trans | -55.6 | 100.6 | 171.6 | -79.7 | -175.1 | 153.1 | 0 | 0 | 107.8 | E260 D264 | E260-E262 PolarHBondContact O-N 3.02Å; E262-D264 PolarHBondContact O-N 3.13Å; E262-D264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | M | 36.8 | Very low | 39.9 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 42% | 0.424 | 68% | 0.675 | S | S | . | * | trans | -55 | 116.3 | 167.3 | -76.3 | 176.7 | 60.6 | 0 | 0 | 107.5 | E261 E267 Q268 | E261-M263 VanDerWaalsContact C-N 3.32Å; E261-M263 PolarHBondContact O-N 3.03Å; M263-E267 HydrophobicContact CB-CB 4.26Å; M263-E267 HydrophobicContact CE-CB 3.41Å; M263-E267 VanDerWaalsContact CE-CB 3.41Å; M263-E267 WeakPolarHBondContact CG-OE2 3.39Å; M263-Q268 HydrophobicContact CB-CG 4.19Å; M263-Q268 HydrophobicContact CE-CG 4.32Å; M263-Q268 PolarHBondContact O-NE2 2.93Å | ||
| 264 | D | 45 | Very low | 40.4 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 58% | 0.578 | 68% | 0.676 | S | S | * | * | trans | -46.6 | 142.1 | 170 | 176.7 | -8.1 | 0 | 0 | 0 | 109.2 | E262 C266 E267 Q268 | E262-D264 PolarHBondContact O-N 3.13Å; E262-D264 VanDerWaalsContact O-N 3.09Å; D264-C266 PolarHBondContact O-N 3.37Å; D264-C266 PolarHBondContact OD1-N 2.79Å; D264-E267 PolarHBondContact O-N 3.47Å; D264-Q268 PolarHBondContact O-N 2.78Å | ||
| 265 | E | 49.4 | Very low | 41.1 | Very low | 160 Ų | 160 | 117 Ų | 117 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -46.6 | -27.1 | 177.9 | -65 | -175 | 148.9 | 0 | 0 | 112.5 | A269 | E265-A269 WeakPolarHBondContact O-CB 3.44Å; E265-A269 PolarHBondContact O-N 2.66Å; E265-A269 VanDerWaalsContact O-N 3.08Å |
| 266 | C | 46.1 | Very low | 42.1 | Very low | 76 Ų | 76 | 116 Ų | 116 | 51% | 0.514 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 172.8 | -156.9 | 0 | 0 | 0 | 0 | 114.2 | D264 L270 | D264-C266 PolarHBondContact O-N 3.37Å; D264-C266 PolarHBondContact OD1-N 2.79Å; C266-L270 WeakPolarHBondContact O-CG 3.47Å; C266-L270 PolarHBondContact O-N 3.47Å |
| 267 | E | 48.6 | Very low | 43.3 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 50% | 0.5 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -78 | -32.6 | 179.3 | -64.8 | -166.8 | 142.5 | 0 | 0 | 112.5 | M263 D264 A269 L270 A271 | M263-E267 HydrophobicContact CB-CB 4.26Å; M263-E267 HydrophobicContact CE-CB 3.41Å; M263-E267 VanDerWaalsContact CE-CB 3.41Å; M263-E267 WeakPolarHBondContact CG-OE2 3.39Å; D264-E267 PolarHBondContact O-N 3.47Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-L270 PolarHBondContact O-N 3.49Å; E267-A271 PolarHBondContact O-N 3.13Å; E267-A271 VanDerWaalsContact O-N 3.09Å |
| 268 | Q | 51.9 | Low | 45 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.5 | -35.3 | 172.5 | -67.6 | -175.1 | 17.7 | 0 | 0 | 111.6 | M263 D264 A271 A272 | M263-Q268 HydrophobicContact CB-CG 4.19Å; M263-Q268 HydrophobicContact CE-CG 4.32Å; M263-Q268 PolarHBondContact O-NE2 2.93Å; D264-Q268 PolarHBondContact O-N 2.78Å; Q268-A271 PolarHBondContact O-N 2.95Å; Q268-A272 WeakPolarHBondContact O-CB 3.49Å; Q268-A272 PolarHBondContact O-N 3.3Å; Q268-A272 VanDerWaalsContact O-N 3.13Å |
| 269 | A | 51.8 | Low | 46.8 | Very low | 42 Ų | 42 | 116.3 Ų | 116.3 | 35% | 0.347 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A218 E265 E267 A271 A272 | A218-A269 HydrophobicContact CB-CB 4.48Å; E265-A269 WeakPolarHBondContact O-CB 3.44Å; E265-A269 PolarHBondContact O-N 2.66Å; E265-A269 VanDerWaalsContact O-N 3.08Å; E267-A269 VanDerWaalsContact C-N 3.32Å; A269-A271 VanDerWaalsContact C-N 3.28Å; A269-A271 PolarHBondContact O-N 3.37Å; A269-A272 PolarHBondContact O-N 3.42Å |
| 270 | L | 47 | Very low | 49 | Very low | 110 Ų | 110 | 110.8 Ų | 110.8 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -29.2 | 173.6 | -75.7 | 164.1 | 0 | 0 | 0 | 112.7 | C266 E267 | C266-L270 WeakPolarHBondContact O-CG 3.47Å; C266-L270 PolarHBondContact O-N 3.47Å; E267-L270 PolarHBondContact O-N 3.49Å |
| 271 | A | 49.8 | Very low | 50.8 | Low | 68 Ų | 68 | 106 Ų | 106 | 56% | 0.562 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.4 | -22.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E267 Q268 A269 | E267-A271 PolarHBondContact O-N 3.13Å; E267-A271 VanDerWaalsContact O-N 3.09Å; Q268-A271 PolarHBondContact O-N 2.95Å; A269-A271 VanDerWaalsContact C-N 3.28Å; A269-A271 PolarHBondContact O-N 3.37Å |
| 272 | A | 46.6 | Very low | 52.8 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -94.4 | -2.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q268 A269 | Q268-A272 WeakPolarHBondContact O-CB 3.49Å; Q268-A272 PolarHBondContact O-N 3.3Å; Q268-A272 VanDerWaalsContact O-N 3.13Å; A269-A272 PolarHBondContact O-N 3.42Å |
| 273 | E | 45.2 | Very low | 54.8 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -61.7 | 141.5 | 169.4 | -70.2 | -166.2 | 158.6 | 0 | 0 | 110.3 | K275 | E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 2.88Å |
| 274 | P | 37.7 | Very low | 56.9 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 83% | 0.825 | 55% | 0.554 | S | S | * | * | trans | -62.4 | 101.8 | 166.6 | 25.8 | -28.7 | 0 | 0 | 0 | 106.5 | A276 | P274-A276 PolarHBondContact O-N 2.92Š| ||
| 275 | K | 40.8 | Very low | 58.6 | Low | 184 Ų | 184 | 103.2 Ų | 103.2 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | trans | -46.1 | 104.5 | -179.7 | -69 | -176.6 | -179.9 | -179.1 | 0 | 107.9 | E273 K277 | E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 2.88Å; K275-K277 PolarHBondContact O-N 3.01Å | ||
| 276 | A | 51.7 | Low | 60.4 | Low | 80 Ų | 80 | 96.9 Ų | 96.9 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | trans | -48.7 | 120.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 104.1 | P274 D278 | P274-A276 PolarHBondContact O-N 2.92Å; A276-D278 PolarHBondContact O-N 2.72Å | ||
| 277 | K | 55.5 | Low | 62.4 | Low | 198 Ų | 198 | 98.9 Ų | 98.9 | 86% | 0.861 | 55% | 0.553 | S | S | * | * | trans | -49.5 | 110.4 | -174.3 | -80 | -177.7 | 176.3 | -178.6 | 0 | 106.8 | K275 P279 | K275-K277 PolarHBondContact O-N 3.01Å; K277-P279 WeakPolarHBondContact O-CD 3.07Å | ||
| 278 | D | 67.6 | Low | 64.4 | Low | 74 Ų | 74 | 94 Ų | 94 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | trans | -53.1 | 114.2 | 178 | 173.7 | 2.8 | 0 | 0 | 0 | 106.2 | A276 F280 A281 | A276-D278 PolarHBondContact O-N 2.72Å; D278-F280 PolarHBondContact O-N 2.81Å; D278-F280 PolarHBondContact OD1-N 3.14Å; D278-A281 HydrophobicContact CB-CB 4.16Å; D278-A281 VanDerWaalsContact O-CB 3.24Å; D278-A281 WeakPolarHBondContact O-CB 3.24Å; D278-A281 PolarHBondContact O-N 3.05Å | ||
| 279 | P | 71 | Confident | 66.2 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 21% | 0.214 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.8 | -176.1 | -27.1 | 36.2 | 0 | 0 | 0 | 111.9 | K277 H282 L386 W390 | K277-P279 WeakPolarHBondContact O-CD 3.07Å; P279-H282 PolarHBondContact O-CE1 3.23Å; P279-H282 PolarHBondContact O-ND1 3.33Å; P279-L386 HydrophobicContact CB-CB 4.08Å; P279-W390 HydrophobicContact CB-CH2 4.01Å; P279-W390 HydrophobicContact CB-CZ3 4.11Å; P279-W390 HydrophobicContact CG-CH2 3.46Å; P279-W390 VanDerWaalsContact CG-CH2 3.46Å; P279-W390 HydrophobicContact CG-CZ2 4.19Å; P279-W390 HydrophobicContact CG-CZ3 3.8Å |
| 280 | F | 78.9 | Confident | 68 | Low | 10 Ų | 10 | 90.2 Ų | 90.2 | 4% | 0.044 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -1.8 | 179.9 | -54.8 | -63.9 | 0 | 0 | 0 | 114.5 | D278 H282 L283 L352 N355 R378 A383 L386 W390 | D278-F280 PolarHBondContact O-N 2.81Å; D278-F280 PolarHBondContact OD1-N 3.14Å; F280-H282 PolarHBondContact O-N 3.19Å; F280-L283 HydrophobicContact CB-CD1 4.15Å; F280-L283 HydrophobicContact CD1-CD1 3.73Å; F280-L283 HydrophobicContact CG-CD1 4.4Å; F280-L283 WeakPolarHBondContact O-CB 3.32Å; F280-L283 PolarHBondContact O-N 3.45Å; F280-L352 HydrophobicContact CE2-CD1 4.4Å; F280-N355 HydrophobicContact CD2-CB 3.89Å; F280-N355 WeakPolarHBondContact CD2-ND2 3.3Å; F280-N355 HydrophobicContact CE2-CB 3.74Å; F280-R378 HydrophobicContact CB-CG 4.11Å; F280-R378 HydrophobicContact CD1-CB 4.09Å; F280-R378 HydrophobicContact CD1-CG 4.07Å; F280-R378 HydrophobicContact CD2-CB 4.28Å; F280-R378 HydrophobicContact CD2-CG 4.5Å; F280-R378 HydrophobicContact CE1-CB 4.19Å; F280-R378 WeakPolarHBondContact CE1-O 3.48Å; F280-R378 HydrophobicContact CE2-CB 4.34Å; F280-R378 HydrophobicContact CG-CB 4.12Å; F280-R378 HydrophobicContact CG-CG 3.97Å; F280-R378 HydrophobicContact CZ-CB 4.31Å; F280-A383 HydrophobicContact CZ-CB 4.2Å; F280-L386 HydrophobicContact CD1-CD1 4.38Å; F280-L386 HydrophobicContact CE1-CD1 3.48Å; F280-L386 VanDerWaalsContact CE1-CD1 3.48Å; F280-L386 HydrophobicContact CZ-CD1 3.9Å; F280-W390 AromaticContact CD2-CH2 3.88Å; F280-W390 HydrophobicContact CD2-CH2 3.88Å; F280-W390 HydrophobicContact CD2-CZ3 4.47Å; F280-W390 AromaticContact CE2-CH2 3.25Å; F280-W390 HydrophobicContact CE2-CH2 3.25Å; F280-W390 HydrophobicContact CE2-CZ2 4.27Å; F280-W390 AromaticContact CE2-CZ3 3.55Å; F280-W390 HydrophobicContact CE2-CZ3 3.55Å; F280-W390 AromaticContact CZ-CH2 3.91Å; F280-W390 HydrophobicContact CZ-CH2 3.91Å; F280-W390 AromaticContact CZ-CZ3 3.7Å; F280-W390 HydrophobicContact CZ-CZ3 3.7Å |
| 281 | A | 72.4 | Confident | 70 | Confident | 81 Ų | 81 | 90 Ų | 90 | 67% | 0.669 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D278 | D278-A281 HydrophobicContact CB-CB 4.16Å; D278-A281 VanDerWaalsContact O-CB 3.24Å; D278-A281 WeakPolarHBondContact O-CB 3.24Å; D278-A281 PolarHBondContact O-N 3.05Å |
| 282 | H | 78.2 | Confident | 72 | Confident | 151 Ų | 151 | 91 Ų | 91 | 70% | 0.699 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -10.7 | 177.5 | 69.3 | -83.8 | 0 | 0 | 0 | 113.4 | P279 F280 | P279-H282 PolarHBondContact O-CE1 3.23Å; P279-H282 PolarHBondContact O-ND1 3.33Å; F280-H282 PolarHBondContact O-N 3.19Å |
| 283 | L | 79.8 | Confident | 74.1 | Confident | 48 Ų | 48 | 87 Ų | 87 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -82.6 | 140.2 | -177.8 | -63.6 | 176.2 | 0 | 0 | 0 | 111.4 | F280 R378 | F280-L283 HydrophobicContact CB-CD1 4.15Å; F280-L283 HydrophobicContact CD1-CD1 3.73Å; F280-L283 HydrophobicContact CG-CD1 4.4Å; F280-L283 WeakPolarHBondContact O-CB 3.32Å; F280-L283 PolarHBondContact O-N 3.45Å; L283-R378 HydrophobicContact CD1-CG 4.24Å |
| 284 | P | 80.3 | Confident | 76.4 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 142.2 | 177.1 | 26 | -33.7 | 0 | 0 | 0 | 110.5 | S286 R378 | P284-S286 PolarHBondContact O-N 3.46Å; P284-R378 PolarHBondContact O-NH2 3.18Å |
| 285 | K | 81 | Confident | 78.9 | Confident | 208 Ų | 208 | 85.1 Ų | 85.1 | 90% | 0.904 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -52 | 129.7 | 179 | -76.2 | -174.1 | 177.6 | -176.6 | 0 | 110.7 | ||
| 286 | S | 86.4 | Confident | 81.2 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 147.3 | 176 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | P284 F288 D315 W319 | P284-S286 PolarHBondContact O-N 3.46Å; S286-F288 PolarHBondContact OG-N 3.36Å; S286-F288 VanDerWaalsContact OG-N 3.11Å; S286-D315 VanDerWaalsContact CA-OD2 3.31Å; S286-D315 WeakPolarHBondContact CA-OD2 3.13Å; S286-D315 VanDerWaalsContact CB-OD2 3.22Å; S286-D315 WeakPolarHBondContact CB-OD2 3.27Å; S286-D315 WeakPolarHBondContact OG-CB 3.48Å; S286-D315 VanDerWaalsContact OG-CG 3.32Å; S286-D315 PolarHBondContact OG-OD2 2.69Å; S286-W319 VanDerWaalsContact OG-CD1 3.23Å; S286-W319 PolarHBondContact OG-NE1 3.46Å |
| 287 | T | 88 | Confident | 83.1 | Confident | 118 Ų | 118 | 75.7 Ų | 75.7 | 72% | 0.724 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -73.7 | -18.7 | 168.5 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 288 | F | 90 | Very high | 84.8 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | trans | -83.2 | 116.1 | 178.6 | -176.7 | -125.5 | 0 | 0 | 0 | 111.3 | S286 L290 F293 F310 H313 F314 D315 W319 | S286-F288 PolarHBondContact OG-N 3.36Å; S286-F288 VanDerWaalsContact OG-N 3.11Å; F288-L290 HydrophobicContact CE1-CB 4.47Å; F288-L290 HydrophobicContact CE1-CD1 3.71Å; F288-L290 HydrophobicContact CZ-CD1 4.23Å; F288-F293 HydrophobicContact CE2-CB 3.89Å; F288-F293 HydrophobicContact CE2-CG 4.41Å; F288-F293 HydrophobicContact CZ-CB 3.7Å; F288-F293 HydrophobicContact CZ-CD1 4.14Å; F288-F293 AromaticContact CZ-CG 3.94Å; F288-F293 HydrophobicContact CZ-CG 3.94Å; F288-F310 HydrophobicContact CE1-CD2 4.48Å; F288-F310 HydrophobicContact CE1-CE2 4.14Å; F288-F310 HydrophobicContact CE2-CD2 4.26Å; F288-F310 AromaticContact CZ-CD2 3.68Å; F288-F310 HydrophobicContact CZ-CD2 3.68Å; F288-F310 AromaticContact CZ-CE2 3.79Å; F288-F310 HydrophobicContact CZ-CE2 3.79Å; F288-H313 VanDerWaalsContact CB-O 3.29Å; F288-H313 WeakPolarHBondContact CB-O 3.09Å; F288-H313 HydrophobicContact CD2-CB 3.82Å; F288-H313 VanDerWaalsContact CD2-O 3.3Å; F288-H313 WeakPolarHBondContact CD2-O 3.18Å; F288-H313 HydrophobicContact CE2-CB 4.27Å; F288-F314 HydrophobicContact CD1-CD2 4.3Å; F288-F314 HydrophobicContact CE1-CD2 4.21Å; F288-D315 HydrophobicContact CB-CB 3.84Å; F288-W319 AromaticContact CD1-CD1 3.71Å; F288-W319 AromaticContact CD1-CD2 3.98Å; F288-W319 HydrophobicContact CD1-CD2 3.98Å; F288-W319 AromaticContact CD1-CE2 3.8Å; F288-W319 AromaticContact CD1-CG 3.95Å; F288-W319 HydrophobicContact CD1-CG 3.95Å; F288-W319 HydrophobicContact CD1-CZ2 4.44Å; F288-W319 AromaticContact CD1-NE1 3.6Å | ||
| 289 | V | 89.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | trans | -94 | 96.8 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | D291 E292 F293 | V289-D291 VanDerWaalsContact C-N 3.29Å; V289-D291 PolarHBondContact O-N 2.61Å; V289-E292 HydrophobicContact CB-CB 4.11Å; V289-E292 HydrophobicContact CG1-CB 3.98Å; V289-E292 PolarHBondContact O-N 2.92Å; V289-E292 VanDerWaalsContact O-N 3.12Å; V289-F293 PolarHBondContact O-N 2.84Å | ||
| 290 | L | 91.3 | Very high | 86.8 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -38.4 | -175.8 | -173.4 | 72.5 | 0 | 0 | 0 | 113.1 | F288 E292 F293 K294 W319 F357 | F288-L290 HydrophobicContact CE1-CB 4.47Å; F288-L290 HydrophobicContact CE1-CD1 3.71Å; F288-L290 HydrophobicContact CZ-CD1 4.23Å; L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 2.99Å; L290-F293 HydrophobicContact CD1-CD1 4.21Å; L290-F293 PolarHBondContact O-N 3.11Å; L290-K294 HydrophobicContact CG-CD 4.26Å; L290-K294 HydrophobicContact CG-CG 4.43Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å; L290-K294 PolarHBondContact O-N 3.45Å; L290-W319 HydrophobicContact CB-CH2 3.67Å; L290-W319 HydrophobicContact CB-CZ2 3.89Å; L290-W319 HydrophobicContact CB-CZ3 4.4Å; L290-W319 HydrophobicContact CD1-CH2 4.34Å; L290-W319 HydrophobicContact CD1-CZ3 4.24Å; L290-W319 HydrophobicContact CD2-CH2 3.6Å; L290-W319 HydrophobicContact CD2-CZ3 3.77Å; L290-W319 HydrophobicContact CG-CH2 4.06Å; L290-W319 HydrophobicContact CG-CZ3 4.35Å; L290-F357 HydrophobicContact CD1-CB 3.97Å |
| 291 | D | 88.1 | Confident | 87.3 | Confident | 104 Ų | 104 | 77 Ų | 77 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -33.4 | 179.9 | -73.2 | -22.5 | 0 | 0 | 0 | 112.4 | V289 K294 R295 | V289-D291 VanDerWaalsContact C-N 3.29Å; V289-D291 PolarHBondContact O-N 2.61Å; D291-K294 PolarHBondContact O-N 3.02Å; D291-R295 WeakPolarHBondContact O-CB 3.34Å; D291-R295 PolarHBondContact O-N 2.65Å |
| 292 | E | 90.9 | Very high | 88.2 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 175.1 | -165.3 | 178.8 | 159.7 | 0 | 0 | 110.6 | V289 L290 K294 R295 K296 Y309 | V289-E292 HydrophobicContact CB-CB 4.11Å; V289-E292 HydrophobicContact CG1-CB 3.98Å; V289-E292 PolarHBondContact O-N 2.92Å; V289-E292 VanDerWaalsContact O-N 3.12Å; L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 2.99Å; E292-K294 PolarHBondContact O-N 2.94Å; E292-R295 WeakPolarHBondContact O-CB 3.49Å; E292-R295 PolarHBondContact O-N 2.81Å; E292-K296 WeakPolarHBondContact O-CG 3.45Å; E292-K296 PolarHBondContact O-N 3.31Å; E292-Y309 WeakPolarHBondContact CG-OH 3.37Å; E292-Y309 PolarHBondContact OE1-OH 3.34Å; E292-Y309 VanDerWaalsContact OE1-OH 3.04Å; E292-Y309 PolarHBondContact OE2-OH 3.15Å |
| 293 | F | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 171.8 | 167 | -110.8 | 0 | 0 | 0 | 111.8 | F288 V289 L290 R295 K296 Y297 A306 Y309 F310 F357 F417 | F288-F293 HydrophobicContact CE2-CB 3.89Å; F288-F293 HydrophobicContact CE2-CG 4.41Å; F288-F293 HydrophobicContact CZ-CB 3.7Å; F288-F293 HydrophobicContact CZ-CD1 4.14Å; F288-F293 AromaticContact CZ-CG 3.94Å; F288-F293 HydrophobicContact CZ-CG 3.94Å; V289-F293 PolarHBondContact O-N 2.84Å; L290-F293 HydrophobicContact CD1-CD1 4.21Å; L290-F293 PolarHBondContact O-N 3.11Å; F293-R295 VanDerWaalsContact C-N 3.28Å; F293-R295 PolarHBondContact O-N 2.87Å; F293-K296 PolarHBondContact O-N 3.43Å; F293-K296 VanDerWaalsContact O-N 3.16Å; F293-Y297 HydrophobicContact CE2-CD2 4.39Å; F293-Y297 HydrophobicContact CZ-CD2 4.04Å; F293-Y297 HydrophobicContact CZ-CG 4.34Å; F293-Y297 VanDerWaalsContact O-CB 3.3Å; F293-Y297 WeakPolarHBondContact O-CB 3.12Å; F293-Y297 PolarHBondContact O-N 2.94Å; F293-A306 HydrophobicContact CE2-CB 4.42Å; F293-A306 WeakPolarHBondContact CE2-O 3.29Å; F293-Y309 HydrophobicContact CB-CD1 4.32Å; F293-Y309 HydrophobicContact CB-CE1 4.08Å; F293-Y309 HydrophobicContact CD2-CD1 4.28Å; F293-F310 HydrophobicContact CD1-CD2 4.09Å; F293-F310 HydrophobicContact CD2-CB 3.85Å; F293-F310 AromaticContact CD2-CD2 3.95Å; F293-F310 HydrophobicContact CD2-CD2 3.95Å; F293-F310 HydrophobicContact CD2-CG 4.39Å; F293-F310 AromaticContact CE1-CD2 3.93Å; F293-F310 HydrophobicContact CE1-CD2 3.93Å; F293-F310 HydrophobicContact CE1-CE2 4.41Å; F293-F310 HydrophobicContact CE2-CB 3.6Å; F293-F310 AromaticContact CE2-CD2 3.82Å; F293-F310 HydrophobicContact CE2-CD2 3.82Å; F293-F310 HydrophobicContact CE2-CG 4.07Å; F293-F310 HydrophobicContact CG-CD2 4.09Å; F293-F310 HydrophobicContact CZ-CB 4.29Å; F293-F310 AromaticContact CZ-CD2 3.8Å; F293-F310 HydrophobicContact CZ-CD2 3.8Å; F293-F310 HydrophobicContact CZ-CG 4.3Å; F293-F357 AromaticContact CE1-CD1 3.87Å; F293-F357 HydrophobicContact CE1-CD1 3.87Å; F293-F357 HydrophobicContact CE1-CD2 4.16Å; F293-F357 AromaticContact CE1-CE1 3.9Å; F293-F357 HydrophobicContact CE1-CE1 3.9Å; F293-F357 HydrophobicContact CE1-CE2 4.17Å; F293-F357 HydrophobicContact CE1-CG 4Å; F293-F357 HydrophobicContact CE1-CZ 4.04Å; F293-F357 HydrophobicContact CZ-CE1 4.24Å; F293-F357 HydrophobicContact CZ-CZ 4.33Å; F293-F417 HydrophobicContact CE1-CE2 4.22Å; F293-F417 AromaticContact CZ-CD2 3.93Å; F293-F417 HydrophobicContact CZ-CD2 3.93Å; F293-F417 AromaticContact CZ-CE2 3.81Å; F293-F417 HydrophobicContact CZ-CE2 3.81Å |
| 294 | K | 92.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 177.7 | -75.3 | 173.5 | 176.2 | -178.1 | 0 | 112.4 | L290 D291 E292 S298 R353 A356 F357 K437 | L290-K294 HydrophobicContact CG-CD 4.26Å; L290-K294 HydrophobicContact CG-CG 4.43Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å; L290-K294 PolarHBondContact O-N 3.45Å; D291-K294 PolarHBondContact O-N 3.02Å; E292-K294 PolarHBondContact O-N 2.94Å; K294-S298 WeakPolarHBondContact O-CB 3.32Å; K294-S298 PolarHBondContact O-N 3.4Å; K294-S298 PolarHBondContact O-OG 3.39Å; K294-R353 PolarHBondContact NZ-O 2.82Å; K294-A356 VanDerWaalsContact CE-O 3.32Å; K294-A356 WeakPolarHBondContact CE-O 3.48Å; K294-A356 PolarHBondContact NZ-O 2.69Å; K294-A356 VanDerWaalsContact NZ-O 3.1Å; K294-F357 HydrophobicContact CG-CD2 3.94Å; K294-K437 HydrophobicContact CD-CB 4.11Å; K294-K437 WeakPolarHBondContact CD-OXT 3.45Å; K294-K437 WeakPolarHBondContact CE-OXT 3.3Å; K294-K437 HydrophobicContact CG-CB 4.13Å; K294-K437 PolarHBondContact NZ-OXT 3.05Å |
| 295 | R | 89.7 | Confident | 89.6 | Confident | 179 Ų | 179 | 69.1 Ų | 69.1 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 175.8 | -174.2 | 180 | 175.6 | 177.7 | -1.1 | 110.8 | D291 E292 F293 S298 N299 | D291-R295 WeakPolarHBondContact O-CB 3.34Å; D291-R295 PolarHBondContact O-N 2.65Å; E292-R295 WeakPolarHBondContact O-CB 3.49Å; E292-R295 PolarHBondContact O-N 2.81Å; F293-R295 VanDerWaalsContact C-N 3.28Å; F293-R295 PolarHBondContact O-N 2.87Å; R295-S298 PolarHBondContact O-N 3Å; R295-N299 WeakPolarHBondContact CG-ND2 2.95Å; R295-N299 WeakPolarHBondContact O-CB 3.38Å; R295-N299 PolarHBondContact O-N 2.61Å; R295-N299 VanDerWaalsContact O-N 3.13Å; R295-N299 PolarHBondContact O-ND2 3.27Å |
| 296 | K | 89.5 | Confident | 90.1 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 175.7 | -69.5 | -168.7 | 156.1 | -71.3 | 0 | 111.7 | E292 F293 S298 N299 E300 Y309 | E292-K296 WeakPolarHBondContact O-CG 3.45Å; E292-K296 PolarHBondContact O-N 3.31Å; F293-K296 PolarHBondContact O-N 3.43Å; F293-K296 VanDerWaalsContact O-N 3.16Å; K296-S298 PolarHBondContact O-N 3.25Å; K296-S298 VanDerWaalsContact O-N 3.16Å; K296-N299 PolarHBondContact O-N 3.1Å; K296-E300 WeakPolarHBondContact CG-OE1 3.21Å; K296-E300 IonicContact NZ-OE1 3.68Å; K296-E300 PolarHBondContact NZ-OE1 3.34Å; K296-E300 IonicContact NZ-OE2 3.47Å; K296-E300 WeakPolarHBondContact O-CA 3.42Å; K296-E300 WeakPolarHBondContact O-CB 3.24Å; K296-E300 PolarHBondContact O-N 3.02Å; K296-Y309 HydrophobicContact CD-CD1 3.68Å; K296-Y309 HydrophobicContact CD-CD2 3.4Å; K296-Y309 VanDerWaalsContact CD-CD2 3.4Å; K296-Y309 HydrophobicContact CD-CE1 3.96Å; K296-Y309 HydrophobicContact CD-CE2 3.68Å; K296-Y309 HydrophobicContact CD-CG 3.39Å |
| 297 | Y | 92.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.09 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -31.4 | 177.1 | -176.8 | -88.1 | 0 | 0 | 0 | 113.3 | F293 T302 A306 F357 F417 I435 | F293-Y297 HydrophobicContact CE2-CD2 4.39Å; F293-Y297 HydrophobicContact CZ-CD2 4.04Å; F293-Y297 HydrophobicContact CZ-CG 4.34Å; F293-Y297 VanDerWaalsContact O-CB 3.3Å; F293-Y297 WeakPolarHBondContact O-CB 3.12Å; F293-Y297 PolarHBondContact O-N 2.94Å; Y297-T302 HydrophobicContact CD2-CG2 4.1Å; Y297-T302 HydrophobicContact CE2-CG2 3.63Å; Y297-A306 HydrophobicContact CD2-CB 4.2Å; Y297-F357 AromaticContact CD1-CE2 3.9Å; Y297-F357 HydrophobicContact CD1-CE2 3.9Å; Y297-F357 AromaticContact CD1-CZ 3.86Å; Y297-F357 HydrophobicContact CD1-CZ 3.86Å; Y297-F357 HydrophobicContact CD2-CZ 4.13Å; Y297-F357 HydrophobicContact CE1-CE2 4.18Å; Y297-F357 AromaticContact CE1-CZ 3.85Å; Y297-F357 HydrophobicContact CE1-CZ 3.85Å; Y297-F357 HydrophobicContact CE2-CZ 4.11Å; Y297-F357 HydrophobicContact CG-CE2 4.23Å; Y297-F357 HydrophobicContact CG-CZ 4.01Å; Y297-F357 AromaticContact CZ-CZ 3.98Å; Y297-F417 HydrophobicContact CE2-CB 3.97Å; Y297-F417 VanDerWaalsContact CE2-O 3.28Å; Y297-F417 WeakPolarHBondContact CE2-O 3.36Å; Y297-F417 PolarHBondContact OH-O 3.17Å; Y297-I435 HydrophobicContact CE1-CD1 4.12Å; Y297-I435 HydrophobicContact CE1-CG1 3.92Å; Y297-I435 HydrophobicContact CE1-CG2 4.05Å; Y297-I435 WeakPolarHBondContact OH-CD1 3.43Å |
| 298 | S | 89.9 | Confident | 90.7 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -85 | -27.4 | -179.4 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | K294 R295 K296 K437 | K294-S298 WeakPolarHBondContact O-CB 3.32Å; K294-S298 PolarHBondContact O-N 3.4Å; K294-S298 PolarHBondContact O-OG 3.39Å; R295-S298 PolarHBondContact O-N 3Å; K296-S298 PolarHBondContact O-N 3.25Å; K296-S298 VanDerWaalsContact O-N 3.16Å; S298-K437 PolarHBondContact OG-NZ 3.33Å |
| 299 | N | 89.4 | Confident | 90.8 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -116.6 | -15.2 | -166.8 | -62.5 | -37.5 | 0 | 0 | 0 | 113.6 | R295 K296 | R295-N299 WeakPolarHBondContact CG-ND2 2.95Å; R295-N299 WeakPolarHBondContact O-CB 3.38Å; R295-N299 PolarHBondContact O-N 2.61Å; R295-N299 VanDerWaalsContact O-N 3.13Å; R295-N299 PolarHBondContact O-ND2 3.27Å; K296-N299 PolarHBondContact O-N 3.1Å |
| 300 | E | 91.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -124.8 | 168.1 | -174.4 | -55.3 | -173.6 | -121.3 | 0 | 0 | 110.3 | K296 T302 V305 | K296-E300 WeakPolarHBondContact CG-OE1 3.21Å; K296-E300 IonicContact NZ-OE1 3.68Å; K296-E300 PolarHBondContact NZ-OE1 3.34Å; K296-E300 IonicContact NZ-OE2 3.47Å; K296-E300 WeakPolarHBondContact O-CA 3.42Å; K296-E300 WeakPolarHBondContact O-CB 3.24Å; K296-E300 PolarHBondContact O-N 3.02Å; E300-T302 PolarHBondContact O-N 3.38Å; E300-V305 HydrophobicContact CB-CB 4.21Å; E300-V305 HydrophobicContact CB-CG1 4.24Å; E300-V305 VanDerWaalsContact OE2-CG1 3.3Å; E300-V305 WeakPolarHBondContact OE2-CG1 3.33Å |
| 301 | D | 90.1 | Very high | 91.2 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | trans | -65.5 | 129.5 | -179.6 | 179.7 | -99.3 | 0 | 0 | 0 | 111.7 | L303 S304 V305 A306 | D301-L303 PolarHBondContact OD1-N 3.31Å; D301-S304 WeakPolarHBondContact CB-OG 3.39Å; D301-S304 VanDerWaalsContact CG-OG 3.28Å; D301-S304 VanDerWaalsContact OD1-CB 3.31Å; D301-S304 WeakPolarHBondContact OD1-CB 3.45Å; D301-S304 PolarHBondContact OD1-N 3.03Å; D301-S304 PolarHBondContact OD1-OG 3.45Å; D301-V305 WeakPolarHBondContact O-CA 3.38Å; D301-V305 WeakPolarHBondContact O-CB 3.33Å; D301-V305 PolarHBondContact O-N 3.05Å; D301-A306 PolarHBondContact O-N 3.35Å | ||
| 302 | T | 90.1 | Very high | 91.5 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -66.1 | -43.6 | -172.7 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | Y297 E300 L307 F417 | Y297-T302 HydrophobicContact CD2-CG2 4.1Å; Y297-T302 HydrophobicContact CE2-CG2 3.63Å; E300-T302 PolarHBondContact O-N 3.38Å; T302-L307 HydrophobicContact CG2-CD1 4.28Å; T302-L307 HydrophobicContact CG2-CG 4.26Å; T302-L307 WeakPolarHBondContact O-CB 3.33Å; T302-L307 WeakPolarHBondContact O-CG 3.38Å; T302-L307 PolarHBondContact O-N 3.03Å; T302-F417 HydrophobicContact CG2-CB 4.49Å |
| 303 | L | 88.6 | Confident | 91.6 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -79.2 | -43 | -172.4 | -75.3 | 175.4 | 0 | 0 | 0 | 112.5 | D301 L307 P308 R414 E420 | D301-L303 PolarHBondContact OD1-N 3.31Å; L303-L307 HydrophobicContact CD2-CD1 4.04Å; L303-P308 WeakPolarHBondContact O-CD 3.43Å; L303-R414 HydrophobicContact CD2-CG 4.12Å; L303-E420 WeakPolarHBondContact CD1-OE2 3.33Å |
| 304 | S | 88.9 | Confident | 91.6 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -90.3 | -19.5 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | D301 | D301-S304 WeakPolarHBondContact CB-OG 3.39Å; D301-S304 VanDerWaalsContact CG-OG 3.28Å; D301-S304 VanDerWaalsContact OD1-CB 3.31Å; D301-S304 WeakPolarHBondContact OD1-CB 3.45Å; D301-S304 PolarHBondContact OD1-N 3.03Å; D301-S304 PolarHBondContact OD1-OG 3.45Å |
| 305 | V | 91.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -126.9 | -58 | -177.4 | -171 | 0 | 0 | 0 | 0 | 113.4 | E300 D301 L307 P308 Y309 | E300-V305 HydrophobicContact CB-CB 4.21Å; E300-V305 HydrophobicContact CB-CG1 4.24Å; E300-V305 VanDerWaalsContact OE2-CG1 3.3Å; E300-V305 WeakPolarHBondContact OE2-CG1 3.33Å; D301-V305 WeakPolarHBondContact O-CA 3.38Å; D301-V305 WeakPolarHBondContact O-CB 3.33Å; D301-V305 PolarHBondContact O-N 3.05Å; V305-L307 PolarHBondContact O-N 3.34Å; V305-P308 WeakPolarHBondContact O-CD 3.32Å; V305-Y309 VanDerWaalsContact O-CB 3.27Å; V305-Y309 WeakPolarHBondContact O-CB 3.33Å; V305-Y309 PolarHBondContact O-N 3.44Å |
| 306 | A | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -66.9 | -41.8 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | F293 Y297 D301 F310 | F293-A306 HydrophobicContact CE2-CB 4.42Å; F293-A306 WeakPolarHBondContact CE2-O 3.29Å; Y297-A306 HydrophobicContact CD2-CB 4.2Å; D301-A306 PolarHBondContact O-N 3.35Å; A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.02Å |
| 307 | L | 92.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.9 | -46.7 | 177.6 | -81.7 | 172 | 0 | 0 | 0 | 113.3 | T302 L303 V305 Y309 F310 W311 V413 R414 F417 | T302-L307 HydrophobicContact CG2-CD1 4.28Å; T302-L307 HydrophobicContact CG2-CG 4.26Å; T302-L307 WeakPolarHBondContact O-CB 3.33Å; T302-L307 WeakPolarHBondContact O-CG 3.38Å; T302-L307 PolarHBondContact O-N 3.03Å; L303-L307 HydrophobicContact CD2-CD1 4.04Å; V305-L307 PolarHBondContact O-N 3.34Å; L307-Y309 VanDerWaalsContact C-N 3.3Å; L307-Y309 PolarHBondContact O-N 2.81Å; L307-F310 WeakPolarHBondContact O-CB 3.26Å; L307-F310 PolarHBondContact O-N 2.94Å; L307-W311 PolarHBondContact O-N 2.97Å; L307-V413 HydrophobicContact CD2-CG1 3.78Å; L307-R414 HydrophobicContact CD1-CB 4.27Å; L307-R414 HydrophobicContact CD1-CG 4.05Å; L307-F417 HydrophobicContact CD2-CB 4.01Å; L307-F417 HydrophobicContact CD2-CD2 3.87Å; L307-F417 HydrophobicContact CD2-CG 4.33Å |
| 308 | P | 93.3 | Very high | 91.5 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 170.7 | -30.3 | 37.2 | 0 | 0 | 0 | 112.6 | L303 V305 F310 W311 E312 | L303-P308 WeakPolarHBondContact O-CD 3.43Å; V305-P308 WeakPolarHBondContact O-CD 3.32Å; P308-F310 VanDerWaalsContact C-N 3.35Å; P308-F310 PolarHBondContact O-N 3.03Å; P308-W311 PolarHBondContact O-N 2.82Å; P308-E312 WeakPolarHBondContact O-CB 3.16Å; P308-E312 PolarHBondContact O-N 2.72Å |
| 309 | Y | 93.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.7 | 179.2 | -87.4 | 0 | 0 | 0 | 112 | E292 F293 K296 V305 L307 W311 E312 H313 | E292-Y309 WeakPolarHBondContact CG-OH 3.37Å; E292-Y309 PolarHBondContact OE1-OH 3.34Å; E292-Y309 VanDerWaalsContact OE1-OH 3.04Å; E292-Y309 PolarHBondContact OE2-OH 3.15Å; F293-Y309 HydrophobicContact CB-CD1 4.32Å; F293-Y309 HydrophobicContact CB-CE1 4.08Å; F293-Y309 HydrophobicContact CD2-CD1 4.28Å; K296-Y309 HydrophobicContact CD-CD1 3.68Å; K296-Y309 HydrophobicContact CD-CD2 3.4Å; K296-Y309 VanDerWaalsContact CD-CD2 3.4Å; K296-Y309 HydrophobicContact CD-CE1 3.96Å; K296-Y309 HydrophobicContact CD-CE2 3.68Å; K296-Y309 HydrophobicContact CD-CG 3.39Å; V305-Y309 VanDerWaalsContact O-CB 3.27Å; V305-Y309 WeakPolarHBondContact O-CB 3.33Å; V305-Y309 PolarHBondContact O-N 3.44Å; L307-Y309 VanDerWaalsContact C-N 3.3Å; L307-Y309 PolarHBondContact O-N 2.81Å; Y309-W311 PolarHBondContact O-N 2.94Å; Y309-E312 PolarHBondContact O-N 3.4Å; Y309-H313 AromaticContact CD2-CE1 3.52Å; Y309-H313 AromaticContact CD2-ND1 3.53Å; Y309-H313 HydrophobicContact CE1-CB 4.44Å; Y309-H313 AromaticContact CE2-CE1 3.38Å; Y309-H313 WeakPolarHBondContact CE2-CE1 3.25Å; Y309-H313 AromaticContact CE2-CG 4Å; Y309-H313 AromaticContact CE2-ND1 3.54Å; Y309-H313 AromaticContact CE2-NE2 3.71Å; Y309-H313 AromaticContact CG-ND1 3.9Å; Y309-H313 AromaticContact CZ-CG 3.91Å; Y309-H313 AromaticContact CZ-ND1 3.87Å; Y309-H313 WeakPolarHBondContact O-CB 3.27Å; Y309-H313 PolarHBondContact O-N 3.31Å; Y309-H313 PolarHBondContact O-ND1 3.22Å |
| 310 | F | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.9 | -56 | 175.9 | 179.3 | -100.5 | 0 | 0 | 0 | 110.3 | F288 F293 A306 L307 P308 E312 H313 F314 L321 V376 V413 F417 | F288-F310 HydrophobicContact CE1-CD2 4.48Å; F288-F310 HydrophobicContact CE1-CE2 4.14Å; F288-F310 HydrophobicContact CE2-CD2 4.26Å; F288-F310 AromaticContact CZ-CD2 3.68Å; F288-F310 HydrophobicContact CZ-CD2 3.68Å; F288-F310 AromaticContact CZ-CE2 3.79Å; F288-F310 HydrophobicContact CZ-CE2 3.79Å; F293-F310 HydrophobicContact CD1-CD2 4.09Å; F293-F310 HydrophobicContact CD2-CB 3.85Å; F293-F310 AromaticContact CD2-CD2 3.95Å; F293-F310 HydrophobicContact CD2-CD2 3.95Å; F293-F310 HydrophobicContact CD2-CG 4.39Å; F293-F310 AromaticContact CE1-CD2 3.93Å; F293-F310 HydrophobicContact CE1-CD2 3.93Å; F293-F310 HydrophobicContact CE1-CE2 4.41Å; F293-F310 HydrophobicContact CE2-CB 3.6Å; F293-F310 AromaticContact CE2-CD2 3.82Å; F293-F310 HydrophobicContact CE2-CD2 3.82Å; F293-F310 HydrophobicContact CE2-CG 4.07Å; F293-F310 HydrophobicContact CG-CD2 4.09Å; F293-F310 HydrophobicContact CZ-CB 4.29Å; F293-F310 AromaticContact CZ-CD2 3.8Å; F293-F310 HydrophobicContact CZ-CD2 3.8Å; F293-F310 HydrophobicContact CZ-CG 4.3Å; A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.02Å; L307-F310 WeakPolarHBondContact O-CB 3.26Å; L307-F310 PolarHBondContact O-N 2.94Å; P308-F310 VanDerWaalsContact C-N 3.35Å; P308-F310 PolarHBondContact O-N 3.03Å; F310-E312 PolarHBondContact O-N 2.73Å; F310-H313 PolarHBondContact O-N 3.27Å; F310-F314 HydrophobicContact CD2-CD2 4.46Å; F310-F314 HydrophobicContact CE1-CB 4.44Å; F310-F314 AromaticContact CE1-CD2 3.95Å; F310-F314 HydrophobicContact CE1-CD2 3.95Å; F310-F314 HydrophobicContact CE1-CE2 4.45Å; F310-F314 HydrophobicContact CE1-CG 4.21Å; F310-F314 AromaticContact CE2-CD2 3.6Å; F310-F314 HydrophobicContact CE2-CD2 3.6Å; F310-F314 HydrophobicContact CE2-CE2 4.05Å; F310-F314 HydrophobicContact CZ-CB 4.5Å; F310-F314 AromaticContact CZ-CD2 3.27Å; F310-F314 HydrophobicContact CZ-CD2 3.27Å; F310-F314 AromaticContact CZ-CE2 3.57Å; F310-F314 HydrophobicContact CZ-CE2 3.57Å; F310-F314 AromaticContact CZ-CG 3.99Å; F310-F314 HydrophobicContact CZ-CG 3.99Å; F310-F314 HydrophobicContact CZ-CZ 4.47Å; F310-F314 WeakPolarHBondContact O-CA 3.47Å; F310-F314 WeakPolarHBondContact O-CB 3.33Å; F310-F314 PolarHBondContact O-N 3.34Å; F310-L321 HydrophobicContact CZ-CD2 4.02Å; F310-V376 HydrophobicContact CE2-CG1 4.38Å; F310-V376 HydrophobicContact CE2-CG2 4.19Å; F310-V376 HydrophobicContact CZ-CG2 4.24Å; F310-V413 HydrophobicContact CD1-CG1 4.31Å; F310-V413 HydrophobicContact CE1-CG1 4.18Å; F310-F417 HydrophobicContact CD2-CE2 4.45Å; F310-F417 HydrophobicContact CE2-CE2 4.37Å; F310-F417 HydrophobicContact CZ-CE2 4.48Å |
| 311 | W | 94.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 49 Ų | 49 | 28% | 0.284 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.6 | -32 | -176.3 | -70.5 | 117.2 | 0 | 0 | 0 | 114.2 | L307 P308 Y309 L321 P404 T409 Q410 V413 | L307-W311 PolarHBondContact O-N 2.97Å; P308-W311 PolarHBondContact O-N 2.82Å; Y309-W311 PolarHBondContact O-N 2.94Å; W311-L321 HydrophobicContact CH2-CD1 3.83Å; W311-L321 HydrophobicContact CZ3-CD1 4.3Å; W311-P404 HydrophobicContact CZ3-CB 4.21Å; W311-T409 HydrophobicContact CH2-CG2 4.19Å; W311-Q410 HydrophobicContact CH2-CG 4.33Å; W311-Q410 HydrophobicContact CZ2-CB 4.5Å; W311-Q410 HydrophobicContact CZ2-CG 4.11Å; W311-V413 HydrophobicContact CH2-CG2 4.14Å; W311-V413 HydrophobicContact CZ2-CB 3.71Å; W311-V413 HydrophobicContact CZ2-CG1 3.74Å; W311-V413 HydrophobicContact CZ2-CG2 3.83Å |
| 312 | E | 93.5 | Very high | 92.5 | Very high | 156 Ų | 156 | 46.1 Ų | 46.1 | 73% | 0.729 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.9 | -37.2 | 175.5 | -176.3 | -179.9 | -172.3 | 0 | 0 | 112.1 | P308 Y309 F310 | P308-E312 WeakPolarHBondContact O-CB 3.16Å; P308-E312 PolarHBondContact O-N 2.72Å; Y309-E312 PolarHBondContact O-N 3.4Å; F310-E312 PolarHBondContact O-N 2.73Å |
| 313 | H | 93.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -102.8 | -9.4 | -174.1 | -63.4 | 74.5 | 0 | 0 | 0 | 113.7 | F288 Y309 F310 D315 | F288-H313 VanDerWaalsContact CB-O 3.29Å; F288-H313 WeakPolarHBondContact CB-O 3.09Å; F288-H313 HydrophobicContact CD2-CB 3.82Å; F288-H313 VanDerWaalsContact CD2-O 3.3Å; F288-H313 WeakPolarHBondContact CD2-O 3.18Å; F288-H313 HydrophobicContact CE2-CB 4.27Å; Y309-H313 AromaticContact CD2-CE1 3.52Å; Y309-H313 AromaticContact CD2-ND1 3.53Å; Y309-H313 HydrophobicContact CE1-CB 4.44Å; Y309-H313 AromaticContact CE2-CE1 3.38Å; Y309-H313 WeakPolarHBondContact CE2-CE1 3.25Å; Y309-H313 AromaticContact CE2-CG 4Å; Y309-H313 AromaticContact CE2-ND1 3.54Å; Y309-H313 AromaticContact CE2-NE2 3.71Å; Y309-H313 AromaticContact CG-ND1 3.9Å; Y309-H313 AromaticContact CZ-CG 3.91Å; Y309-H313 AromaticContact CZ-ND1 3.87Å; Y309-H313 WeakPolarHBondContact O-CB 3.27Å; Y309-H313 PolarHBondContact O-N 3.31Å; Y309-H313 PolarHBondContact O-ND1 3.22Å; F310-H313 PolarHBondContact O-N 3.27Å; H313-D315 PolarHBondContact O-N 2.98Å; H313-D315 VanDerWaalsContact O-N 3.12Å |
| 314 | F | 93 | Very high | 93.2 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | trans | -63.6 | 114.8 | -174.2 | -172.9 | -104.8 | 0 | 0 | 0 | 111.3 | F288 F310 K316 W319 L321 V376 P404 | F288-F314 HydrophobicContact CD1-CD2 4.3Å; F288-F314 HydrophobicContact CE1-CD2 4.21Å; F310-F314 HydrophobicContact CD2-CD2 4.46Å; F310-F314 HydrophobicContact CE1-CB 4.44Å; F310-F314 AromaticContact CE1-CD2 3.95Å; F310-F314 HydrophobicContact CE1-CD2 3.95Å; F310-F314 HydrophobicContact CE1-CE2 4.45Å; F310-F314 HydrophobicContact CE1-CG 4.21Å; F310-F314 AromaticContact CE2-CD2 3.6Å; F310-F314 HydrophobicContact CE2-CD2 3.6Å; F310-F314 HydrophobicContact CE2-CE2 4.05Å; F310-F314 HydrophobicContact CZ-CB 4.5Å; F310-F314 AromaticContact CZ-CD2 3.27Å; F310-F314 HydrophobicContact CZ-CD2 3.27Å; F310-F314 AromaticContact CZ-CE2 3.57Å; F310-F314 HydrophobicContact CZ-CE2 3.57Å; F310-F314 AromaticContact CZ-CG 3.99Å; F310-F314 HydrophobicContact CZ-CG 3.99Å; F310-F314 HydrophobicContact CZ-CZ 4.47Å; F310-F314 WeakPolarHBondContact O-CA 3.47Å; F310-F314 WeakPolarHBondContact O-CB 3.33Å; F310-F314 PolarHBondContact O-N 3.34Å; F314-K316 HydrophobicContact CE1-CB 4.41Å; F314-K316 PolarHBondContact O-N 3.12Å; F314-W319 HydrophobicContact CD2-CB 4.41Å; F314-W319 HydrophobicContact CE2-CB 3.54Å; F314-W319 HydrophobicContact CE2-CG 4.44Å; F314-W319 HydrophobicContact CZ-CB 3.7Å; F314-L321 HydrophobicContact CE1-CD1 4.49Å; F314-L321 HydrophobicContact CE1-CG 4.48Å; F314-L321 HydrophobicContact CE2-CG 4.47Å; F314-L321 HydrophobicContact CZ-CD1 4.37Å; F314-L321 HydrophobicContact CZ-CD2 4.43Å; F314-L321 HydrophobicContact CZ-CG 3.92Å; F314-V376 HydrophobicContact CE2-CG1 3.99Å; F314-P404 HydrophobicContact CD1-CB 4.4Å; F314-P404 HydrophobicContact CE1-CB 4.06Å; F314-P404 HydrophobicContact CE1-CG 3.79Å | ||
| 315 | D | 92.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | trans | -86.5 | 98.9 | 175.4 | 171.3 | 11.6 | 0 | 0 | 0 | 109.6 | S286 F288 H313 D317 G318 W319 | S286-D315 VanDerWaalsContact CA-OD2 3.31Å; S286-D315 WeakPolarHBondContact CA-OD2 3.13Å; S286-D315 VanDerWaalsContact CB-OD2 3.22Å; S286-D315 WeakPolarHBondContact CB-OD2 3.27Å; S286-D315 WeakPolarHBondContact OG-CB 3.48Å; S286-D315 VanDerWaalsContact OG-CG 3.32Å; S286-D315 PolarHBondContact OG-OD2 2.69Å; F288-D315 HydrophobicContact CB-CB 3.84Å; H313-D315 PolarHBondContact O-N 2.98Å; H313-D315 VanDerWaalsContact O-N 3.12Å; D315-D317 PolarHBondContact O-N 3.34Å; D315-D317 PolarHBondContact OD1-N 2.95Å; D315-G318 VanDerWaalsContact CG-N 3.29Å; D315-G318 PolarHBondContact O-N 3.2Å; D315-G318 PolarHBondContact OD1-N 3.01Å; D315-G318 WeakPolarHBondContact OD2-CA 3.45Å; D315-G318 PolarHBondContact OD2-N 2.77Å; D315-W319 PolarHBondContact O-N 3.41Å | ||
| 316 | K | 91.1 | Very high | 93.6 | Very high | 136 Ų | 136 | 41.4 Ų | 41.4 | 59% | 0.591 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.1 | 180 | 66.4 | 179 | -177.1 | 178.1 | 0 | 114.6 | F314 Q380 P404 | F314-K316 HydrophobicContact CE1-CB 4.41Å; F314-K316 PolarHBondContact O-N 3.12Å; K316-Q380 PolarHBondContact O-NE2 3.19Å; K316-P404 HydrophobicContact CB-CG 4.49Å |
| 317 | D | 87.8 | Confident | 93.6 | Very high | 124 Ų | 124 | 47.6 Ų | 47.6 | 66% | 0.663 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -34 | -179.8 | -62.9 | -38.5 | 0 | 0 | 0 | 109.9 | D315 Q380 | D315-D317 PolarHBondContact O-N 3.34Å; D315-D317 PolarHBondContact OD1-N 2.95Å; D317-Q380 VanDerWaalsContact C-NE2 3.32Å; D317-Q380 PolarHBondContact O-NE2 3.44Å |
| 318 | G | 89.6 | Confident | 93.4 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -26 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D315 R378 G379 | D315-G318 VanDerWaalsContact CG-N 3.29Å; D315-G318 PolarHBondContact O-N 3.2Å; D315-G318 PolarHBondContact OD1-N 3.01Å; D315-G318 WeakPolarHBondContact OD2-CA 3.45Å; D315-G318 PolarHBondContact OD2-N 2.77Å; G318-R378 VanDerWaalsContact C-NH1 3.32Å; G318-R378 PolarHBondContact O-NH1 2.71Å; G318-G379 WeakPolarHBondContact O-CA 3.42Å; G318-G379 PolarHBondContact O-N 2.94Å |
| 319 | W | 93.8 | Very high | 93 | Very high | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.5 | -172.7 | -64.7 | 82.8 | 0 | 0 | 0 | 111.6 | S286 F288 L290 F314 D315 N355 V376 F377 R378 G379 Q380 | S286-W319 VanDerWaalsContact OG-CD1 3.23Å; S286-W319 PolarHBondContact OG-NE1 3.46Å; F288-W319 AromaticContact CD1-CD1 3.71Å; F288-W319 AromaticContact CD1-CD2 3.98Å; F288-W319 HydrophobicContact CD1-CD2 3.98Å; F288-W319 AromaticContact CD1-CE2 3.8Å; F288-W319 AromaticContact CD1-CG 3.95Å; F288-W319 HydrophobicContact CD1-CG 3.95Å; F288-W319 HydrophobicContact CD1-CZ2 4.44Å; F288-W319 AromaticContact CD1-NE1 3.6Å; L290-W319 HydrophobicContact CB-CH2 3.67Å; L290-W319 HydrophobicContact CB-CZ2 3.89Å; L290-W319 HydrophobicContact CB-CZ3 4.4Å; L290-W319 HydrophobicContact CD1-CH2 4.34Å; L290-W319 HydrophobicContact CD1-CZ3 4.24Å; L290-W319 HydrophobicContact CD2-CH2 3.6Å; L290-W319 HydrophobicContact CD2-CZ3 3.77Å; L290-W319 HydrophobicContact CG-CH2 4.06Å; L290-W319 HydrophobicContact CG-CZ3 4.35Å; F314-W319 HydrophobicContact CD2-CB 4.41Å; F314-W319 HydrophobicContact CE2-CB 3.54Å; F314-W319 HydrophobicContact CE2-CG 4.44Å; F314-W319 HydrophobicContact CZ-CB 3.7Å; D315-W319 PolarHBondContact O-N 3.41Å; W319-N355 WeakPolarHBondContact CZ3-O 3.45Å; W319-V376 HydrophobicContact CE3-CG1 3.91Å; W319-F377 WeakPolarHBondContact CA-O 3.39Å; W319-F377 VanDerWaalsContact CE3-O 3.31Å; W319-R378 VanDerWaalsContact CE2-CD 3.47Å; W319-R378 VanDerWaalsContact CE3-CA 3.5Å; W319-R378 HydrophobicContact CE3-CB 4.11Å; W319-R378 VanDerWaalsContact CE3-N 3.29Å; W319-R378 HydrophobicContact CH2-CB 3.97Å; W319-R378 HydrophobicContact CH2-CG 4.48Å; W319-R378 HydrophobicContact CZ2-CB 4.45Å; W319-R378 HydrophobicContact CZ3-CB 3.8Å; W319-R378 VanDerWaalsContact CZ3-N 3.35Å; W319-G379 CarbonylContact C-O 3.46Å; W319-Q380 PolarHBondContact O-NE2 3.01Å |
| 320 | S | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.9 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 112 | W322 V376 F377 G379 | S320-W322 PolarHBondContact OG-NE1 3.27Å; S320-V376 WeakPolarHBondContact O-CA 3.22Å; S320-F377 PolarHBondContact N-O 2.88Å; S320-F377 PolarHBondContact O-N 3.33Å; S320-G379 WeakPolarHBondContact CB-O 3.25Å; S320-G379 PolarHBondContact N-O 3.07Å; S320-G379 PolarHBondContact OG-O 2.8Å |
| 321 | L | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138 | 175.1 | -69.7 | 173.3 | 0 | 0 | 0 | 109.7 | F310 W311 F314 W375 V376 L402 P404 T409 V413 | F310-L321 HydrophobicContact CZ-CD2 4.02Å; W311-L321 HydrophobicContact CH2-CD1 3.83Å; W311-L321 HydrophobicContact CZ3-CD1 4.3Å; F314-L321 HydrophobicContact CE1-CD1 4.49Å; F314-L321 HydrophobicContact CE1-CG 4.48Å; F314-L321 HydrophobicContact CE2-CG 4.47Å; F314-L321 HydrophobicContact CZ-CD1 4.37Å; F314-L321 HydrophobicContact CZ-CD2 4.43Å; F314-L321 HydrophobicContact CZ-CG 3.92Å; L321-W375 CarbonylContact C-O 3.5Å; L321-W375 WeakPolarHBondContact CA-O 3.32Å; L321-V376 HydrophobicContact CD2-CB 4.4Å; L321-V376 HydrophobicContact CD2-CG1 4.44Å; L321-V376 HydrophobicContact CD2-CG2 3.75Å; L321-L402 HydrophobicContact CB-CB 3.86Å; L321-L402 HydrophobicContact CB-CD1 4.39Å; L321-L402 PolarHBondContact O-N 2.86Å; L321-P404 HydrophobicContact CD1-CB 4.46Å; L321-P404 HydrophobicContact CD1-CG 4.41Å; L321-T409 HydrophobicContact CD1-CG2 3.52Å; L321-V413 HydrophobicContact CD1-CG2 3.93Å; L321-V413 HydrophobicContact CD2-CG2 4.31Å |
| 322 | W | 97.5 | Very high | 91.7 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.5 | -178.5 | -68.4 | 79.3 | 0 | 0 | 0 | 110.7 | S320 V374 W375 F377 L382 W399 R400 K401 | S320-W322 PolarHBondContact OG-NE1 3.27Å; W322-V374 CarbonylContact O-C 3.51Å; W322-V374 WeakPolarHBondContact O-CA 3.47Å; W322-W375 HydrophobicContact CB-CB 4.28Å; W322-W375 PolarHBondContact N-O 3.13Å; W322-W375 PolarHBondContact O-N 3.37Å; W322-F377 HydrophobicContact CB-CD2 4.43Å; W322-F377 HydrophobicContact CB-CE2 4.35Å; W322-F377 AromaticContact CD1-CD2 3.57Å; W322-F377 HydrophobicContact CG-CD2 4.05Å; W322-F377 HydrophobicContact CG-CE2 4.34Å; W322-L382 HydrophobicContact CD2-CD1 3.9Å; W322-L382 HydrophobicContact CE3-CD1 3.91Å; W322-L382 HydrophobicContact CG-CD1 4.31Å; W322-L382 HydrophobicContact CH2-CB 3.84Å; W322-L382 HydrophobicContact CZ2-CB 3.93Å; W322-L382 VanDerWaalsContact CZ2-N 3.31Å; W322-L382 HydrophobicContact CZ3-CB 4.15Å; W322-L382 HydrophobicContact CZ3-CD1 4.3Å; W322-W399 HydrophobicContact CB-CE3 4.31Å; W322-W399 HydrophobicContact CE3-CB 4.06Å; W322-W399 HydrophobicContact CZ3-CB 4.25Å; W322-R400 CarbonylContact C-O 3.57Å; W322-R400 WeakPolarHBondContact CA-O 3.31Å; W322-K401 HydrophobicContact CD2-CB 4.11Å; W322-K401 HydrophobicContact CD2-CG 4.34Å; W322-K401 HydrophobicContact CE3-CB 3.97Å; W322-K401 HydrophobicContact CH2-CB 3.81Å; W322-K401 HydrophobicContact CH2-CD 4.34Å; W322-K401 HydrophobicContact CH2-CG 4.32Å; W322-K401 HydrophobicContact CZ2-CB 3.93Å; W322-K401 HydrophobicContact CZ2-CD 3.88Å; W322-K401 HydrophobicContact CZ2-CG 3.94Å; W322-K401 HydrophobicContact CZ3-CB 3.83Å |
| 323 | Y | 97.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.4 | 168.2 | -175.4 | -103.9 | 0 | 0 | 0 | 109.5 | E325 S372 G373 V374 W399 R400 L412 Y416 H425 | Y323-E325 HydrophobicContact CE1-CB 3.98Å; Y323-S372 VanDerWaalsContact OH-CB 3.3Å; Y323-S372 WeakPolarHBondContact OH-CB 3.36Å; Y323-G373 WeakPolarHBondContact CA-O 3.27Å; Y323-V374 HydrophobicContact CD2-CG2 4.28Å; Y323-W399 WeakPolarHBondContact O-CA 3.39Å; Y323-R400 PolarHBondContact N-O 3.42Å; Y323-R400 PolarHBondContact O-N 2.88Å; Y323-L412 HydrophobicContact CD2-CD1 4.19Å; Y323-L412 HydrophobicContact CD2-CD2 4.38Å; Y323-L412 HydrophobicContact CE2-CD2 4.17Å; Y323-Y416 HydrophobicContact CE2-CE2 4.04Å; Y323-Y416 AromaticContact CE2-CZ 3.84Å; Y323-Y416 WeakPolarHBondContact CE2-OH 3.45Å; Y323-Y416 PolarHBondContact OH-OH 3.42Å; Y323-H425 PolarHBondContact OH-CD2 3.21Å |
| 324 | S | 96.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.8 | 175.5 | 66 | 0 | 0 | 0 | 0 | 110.9 | S372 G373 W375 T398 | S324-S372 CarbonylContact O-C 3.56Å; S324-S372 WeakPolarHBondContact O-CA 3.45Å; S324-S372 VanDerWaalsContact O-CB 3.27Å; S324-S372 WeakPolarHBondContact O-CB 3.45Å; S324-G373 PolarHBondContact N-O 3.33Å; S324-G373 PolarHBondContact O-N 3.39Å; S324-G373 PolarHBondContact OG-N 2.83Å; S324-G373 PolarHBondContact OG-O 2.86Å; S324-W375 PolarHBondContact OG-NE1 3.5Å; S324-T398 VanDerWaalsContact CA-O 3.25Å; S324-T398 WeakPolarHBondContact CA-O 3.42Å |
| 325 | E | 95.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.5 | 172.3 | 177 | 174.5 | -120.6 | 0 | 0 | 110.6 | Y323 Y397 T398 | Y323-E325 HydrophobicContact CE1-CB 3.98Å; E325-Y397 CarbonylContact O-C 3.14Å; E325-Y397 WeakPolarHBondContact O-CA 3.33Å; E325-T398 PolarHBondContact N-O 2.97Å; E325-T398 PolarHBondContact O-N 2.94Å; E325-T398 PolarHBondContact O-OG1 3.28Å |
| 326 | Y | 92.9 | Very high | 90.2 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129.5 | -177.6 | -171 | -108.9 | 0 | 0 | 0 | 110.6 | F328 E331 L332 L341 I371 S396 Y397 | Y326-F328 HydrophobicContact CD1-CB 4.36Å; Y326-F328 HydrophobicContact CE1-CB 3.72Å; Y326-F328 HydrophobicContact CE1-CD2 4.37Å; Y326-F328 VanDerWaalsContact CE1-O 3.24Å; Y326-F328 WeakPolarHBondContact CE1-O 3.41Å; Y326-F328 PolarHBondContact O-N 2.79Å; Y326-E331 PolarHBondContact OH-OE2 2.95Å; Y326-L332 HydrophobicContact CD1-CD1 4Å; Y326-L332 HydrophobicContact CD1-CD2 4.12Å; Y326-L332 HydrophobicContact CD1-CG 4.15Å; Y326-L332 HydrophobicContact CE1-CD1 4.47Å; Y326-L332 HydrophobicContact CE1-CD2 3.8Å; Y326-L332 HydrophobicContact CE1-CG 4.13Å; Y326-L341 HydrophobicContact CE2-CD2 4.23Å; Y326-I371 WeakPolarHBondContact CB-O 3.44Å; Y326-I371 PolarHBondContact N-O 2.8Å; Y326-S396 WeakPolarHBondContact CD2-O 3.44Å; Y326-Y397 HydrophobicContact CD2-CD1 4.21Å; Y326-Y397 HydrophobicContact CD2-CD2 4.29Å; Y326-Y397 AromaticContact CD2-CE1 3.76Å; Y326-Y397 HydrophobicContact CD2-CE1 3.76Å; Y326-Y397 AromaticContact CD2-CE2 3.86Å; Y326-Y397 HydrophobicContact CD2-CE2 3.86Å; Y326-Y397 HydrophobicContact CD2-CG 4.45Å; Y326-Y397 AromaticContact CD2-CZ 3.57Å; Y326-Y397 HydrophobicContact CE2-CE2 4.36Å; Y326-Y397 HydrophobicContact CG-CE1 4.24Å |
| 327 | R | 91.3 | Very high | 89.8 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 49% | 0.494 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.8 | -21.4 | -170.5 | -70.6 | -180 | -172.9 | -157.4 | 7.7 | 114.7 | P329 E395 S396 Y397 T398 | R327-P329 VanDerWaalsContact O-CD 3.25Å; R327-P329 WeakPolarHBondContact O-CD 3.37Å; R327-E395 PolarHBondContact NE-O 3.43Å; R327-S396 WeakPolarHBondContact CB-O 3.5Å; R327-S396 WeakPolarHBondContact CG-O 3.41Å; R327-S396 PolarHBondContact N-O 3.23Å; R327-Y397 VanDerWaalsContact NE-C 3.27Å; R327-Y397 PolarHBondContact NE-O 3.07Å; R327-Y397 PolarHBondContact NH2-O 3.43Å; R327-T398 HydrophobicContact CG-CG2 3.89Å |
| 328 | F | 88.8 | Confident | 89.8 | Confident | 73 Ų | 73 | 50.3 Ų | 50.3 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | trans | -121.6 | 57.9 | -168.8 | -46.1 | -68.8 | 0 | 0 | 0 | 112.2 | Y326 E330 E331 | Y326-F328 HydrophobicContact CD1-CB 4.36Å; Y326-F328 HydrophobicContact CE1-CB 3.72Å; Y326-F328 HydrophobicContact CE1-CD2 4.37Å; Y326-F328 VanDerWaalsContact CE1-O 3.24Å; Y326-F328 WeakPolarHBondContact CE1-O 3.41Å; Y326-F328 PolarHBondContact O-N 2.79Å; F328-E330 PolarHBondContact O-N 3.11Å; F328-E330 VanDerWaalsContact O-N 3.11Å; F328-E331 HydrophobicContact CB-CB 4.39Å; F328-E331 HydrophobicContact CB-CG 3.87Å; F328-E331 WeakPolarHBondContact O-CB 3.31Å; F328-E331 PolarHBondContact O-N 3.4Å | ||
| 329 | P | 85.6 | Confident | 89.7 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -58.2 | -25 | -178.4 | 26 | -35.1 | 0 | 0 | 0 | 113.5 | R327 E331 L332 | R327-P329 VanDerWaalsContact O-CD 3.25Å; R327-P329 WeakPolarHBondContact O-CD 3.37Å; P329-E331 VanDerWaalsContact C-N 3.25Å; P329-E331 PolarHBondContact O-N 3Å; P329-L332 VanDerWaalsContact O-CB 3.32Å; P329-L332 WeakPolarHBondContact O-CB 3.46Å; P329-L332 PolarHBondContact O-N 3.16Å; P329-L332 VanDerWaalsContact O-N 3.13Å |
| 330 | E | 84.9 | Confident | 89.3 | Confident | 138 Ų | 138 | 54.6 Ų | 54.6 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -63.6 | -24.7 | 174.4 | 62.4 | -81.2 | -173.9 | 0 | 0 | 114 | F328 L332 | F328-E330 PolarHBondContact O-N 3.11Å; F328-E330 VanDerWaalsContact O-N 3.11Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 PolarHBondContact O-N 3.43Å |
| 331 | E | 85.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -78.2 | -14.7 | 175.5 | -62.6 | -177.1 | 162 | 0 | 0 | 112.2 | Y326 F328 P329 T333 | Y326-E331 PolarHBondContact OH-OE2 2.95Å; F328-E331 HydrophobicContact CB-CB 4.39Å; F328-E331 HydrophobicContact CB-CG 3.87Å; F328-E331 WeakPolarHBondContact O-CB 3.31Å; F328-E331 PolarHBondContact O-N 3.4Å; P329-E331 VanDerWaalsContact C-N 3.25Å; P329-E331 PolarHBondContact O-N 3Å; E331-T333 PolarHBondContact O-N 3.01Å |
| 332 | L | 84.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | trans | -85.3 | 79.3 | -174 | -54.4 | -178.2 | 0 | 0 | 0 | 111.5 | Y326 P329 E330 S338 S369 I371 | Y326-L332 HydrophobicContact CD1-CD1 4Å; Y326-L332 HydrophobicContact CD1-CD2 4.12Å; Y326-L332 HydrophobicContact CD1-CG 4.15Å; Y326-L332 HydrophobicContact CE1-CD1 4.47Å; Y326-L332 HydrophobicContact CE1-CD2 3.8Å; Y326-L332 HydrophobicContact CE1-CG 4.13Å; P329-L332 VanDerWaalsContact O-CB 3.32Å; P329-L332 WeakPolarHBondContact O-CB 3.46Å; P329-L332 PolarHBondContact O-N 3.16Å; P329-L332 VanDerWaalsContact O-N 3.13Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 PolarHBondContact O-N 3.43Å; L332-S338 WeakPolarHBondContact CB-OG 3.35Å; L332-S369 WeakPolarHBondContact CB-OG 3.21Å; L332-S369 PolarHBondContact O-OG 2.96Å; L332-I371 HydrophobicContact CD1-CD1 3.86Å; L332-I371 HydrophobicContact CD1-CG1 3.82Å; L332-I371 HydrophobicContact CD2-CD1 3.93Å | ||
| 333 | T | 85.8 | Confident | 88.2 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | trans | -75.4 | -67.3 | -177.3 | 54.5 | 0 | 0 | 0 | 0 | 113 | E331 N366 N367 | E331-T333 PolarHBondContact O-N 3.01Å; T333-N366 CarbonylContact O-C 3.4Å; T333-N366 VanDerWaalsContact O-CA 3.27Å; T333-N366 WeakPolarHBondContact O-CA 3.12Å; T333-N367 PolarHBondContact O-N 3.04Å | ||
| 334 | Q | 87.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -101.4 | 128 | -178.7 | -61.4 | -64.9 | -35.5 | 0 | 0 | 110.2 | F336 M337 S338 N366 | Q334-F336 HydrophobicContact CB-CD1 3.67Å; Q334-F336 HydrophobicContact CB-CE1 3.48Å; Q334-F336 VanDerWaalsContact CB-CE1 3.48Å; Q334-F336 HydrophobicContact CB-CZ 4.34Å; Q334-F336 HydrophobicContact CG-CE1 3.92Å; Q334-F336 PolarHBondContact O-N 3.29Å; Q334-F336 VanDerWaalsContact O-N 3.16Å; Q334-M337 HydrophobicContact CB-CB 4.3Å; Q334-M337 HydrophobicContact CB-CG 3.97Å; Q334-M337 HydrophobicContact CB-SD 4.03Å; Q334-M337 HydrophobicContact CG-SD 4.23Å; Q334-M337 WeakPolarHBondContact O-CA 3.47Å; Q334-M337 WeakPolarHBondContact O-CB 3.4Å; Q334-M337 PolarHBondContact O-N 3.37Å; Q334-S338 PolarHBondContact O-N 3.17Å; Q334-S338 PolarHBondContact O-OG 2.99Å; Q334-N366 PolarHBondContact OE1-ND2 3.1Å |
| 335 | T | 85.1 | Confident | 87.4 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.4 | -35.9 | -177.6 | 47 | 0 | 0 | 0 | 0 | 113.4 | S338 C339 L362 T365 N366 | T335-S338 PolarHBondContact O-N 2.86Å; T335-C339 WeakPolarHBondContact O-CB 3.38Å; T335-C339 PolarHBondContact O-N 3.02Å; T335-L362 HydrophobicContact CG2-CD2 4.08Å; T335-L362 VanDerWaalsContact O-CD2 3.26Å; T335-L362 WeakPolarHBondContact O-CD2 3.35Å; T335-T365 VanDerWaalsContact CG2-C 3.5Å; T335-N366 WeakPolarHBondContact CB-OD1 3.38Å; T335-N366 VanDerWaalsContact CG2-OD1 3.3Å; T335-N366 WeakPolarHBondContact CG2-OD1 3.24Å; T335-N366 PolarHBondContact N-OD1 2.56Å; T335-N366 PolarHBondContact OG1-OD1 3.34Å |
| 336 | F | 81.4 | Confident | 87.3 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 175.2 | 81.6 | -91.8 | 0 | 0 | 0 | 112.5 | Q334 C339 N340 | Q334-F336 HydrophobicContact CB-CD1 3.67Å; Q334-F336 HydrophobicContact CB-CE1 3.48Å; Q334-F336 VanDerWaalsContact CB-CE1 3.48Å; Q334-F336 HydrophobicContact CB-CZ 4.34Å; Q334-F336 HydrophobicContact CG-CE1 3.92Å; Q334-F336 PolarHBondContact O-N 3.29Å; Q334-F336 VanDerWaalsContact O-N 3.16Å; F336-C339 PolarHBondContact O-N 3.39Å; F336-N340 VanDerWaalsContact O-CG 3.23Å; F336-N340 PolarHBondContact O-N 3.14Å; F336-N340 PolarHBondContact O-ND2 3.27Å |
| 337 | M | 83.2 | Confident | 86.9 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 50% | 0.498 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 175.7 | -64 | 179.9 | 67.5 | 0 | 0 | 110.7 | Q334 C339 N340 L341 | Q334-M337 HydrophobicContact CB-CB 4.3Å; Q334-M337 HydrophobicContact CB-CG 3.97Å; Q334-M337 HydrophobicContact CB-SD 4.03Å; Q334-M337 HydrophobicContact CG-SD 4.23Å; Q334-M337 WeakPolarHBondContact O-CA 3.47Å; Q334-M337 WeakPolarHBondContact O-CB 3.4Å; Q334-M337 PolarHBondContact O-N 3.37Å; M337-C339 VanDerWaalsContact C-N 3.26Å; M337-C339 PolarHBondContact O-N 2.89Å; M337-N340 WeakPolarHBondContact O-CB 3.45Å; M337-N340 PolarHBondContact O-N 2.61Å; M337-N340 VanDerWaalsContact O-N 3.14Å; M337-L341 PolarHBondContact O-N 3.02Å |
| 338 | S | 88.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 174.3 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | L332 Q334 T335 L341 I342 L362 | L332-S338 WeakPolarHBondContact CB-OG 3.35Å; Q334-S338 PolarHBondContact O-N 3.17Å; Q334-S338 PolarHBondContact O-OG 2.99Å; T335-S338 PolarHBondContact O-N 2.86Å; S338-L341 WeakPolarHBondContact O-CB 3.5Å; S338-L341 PolarHBondContact O-N 3.08Å; S338-I342 PolarHBondContact O-N 2.78Å; S338-L362 VanDerWaalsContact CB-CD1 3.49Å |
| 339 | C | 87 | Confident | 86.6 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.6 | -36.7 | 174.8 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | T335 F336 M337 L341 I342 T343 Q432 K434 | T335-C339 WeakPolarHBondContact O-CB 3.38Å; T335-C339 PolarHBondContact O-N 3.02Å; F336-C339 PolarHBondContact O-N 3.39Å; M337-C339 VanDerWaalsContact C-N 3.26Å; M337-C339 PolarHBondContact O-N 2.89Å; C339-L341 PolarHBondContact O-N 3.04Å; C339-I342 PolarHBondContact O-N 2.65Å; C339-T343 PolarHBondContact O-N 2.79Å; C339-T343 PolarHBondContact O-OG1 3.39Å; C339-Q432 HydrophobicContact CB-CG 4.5Å; C339-Q432 PolarHBondContact SG-OE1 2.81Å; C339-K434 WeakPolarHBondContact SG-CE 3.36Å |
| 340 | N | 85.8 | Confident | 86.4 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 173.1 | -71.3 | -18.1 | 0 | 0 | 0 | 111.5 | F336 M337 T343 G344 | F336-N340 VanDerWaalsContact O-CG 3.23Å; F336-N340 PolarHBondContact O-N 3.14Å; F336-N340 PolarHBondContact O-ND2 3.27Å; M337-N340 WeakPolarHBondContact O-CB 3.45Å; M337-N340 PolarHBondContact O-N 2.61Å; M337-N340 VanDerWaalsContact O-N 3.14Å; N340-T343 PolarHBondContact O-N 3.1Å; N340-G344 PolarHBondContact O-N 2.97Å |
| 341 | L | 87.4 | Confident | 86.4 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.2 | -170.9 | 148.7 | 0 | 0 | 0 | 111.4 | Y326 M337 S338 C339 T343 G344 M345 I371 Y397 | Y326-L341 HydrophobicContact CE2-CD2 4.23Å; M337-L341 PolarHBondContact O-N 3.02Å; S338-L341 WeakPolarHBondContact O-CB 3.5Å; S338-L341 PolarHBondContact O-N 3.08Å; C339-L341 PolarHBondContact O-N 3.04Å; L341-T343 VanDerWaalsContact C-N 3.34Å; L341-T343 PolarHBondContact O-N 3.22Å; L341-G344 PolarHBondContact O-N 3.13Å; L341-M345 PolarHBondContact O-N 3.3Å; L341-I371 HydrophobicContact CD2-CD1 4.3Å; L341-Y397 WeakPolarHBondContact CD2-OH 3.4Å |
| 342 | I | 91.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.2 | -56.6 | 166.4 | 0 | 0 | 0 | 110.6 | S338 C339 G344 M345 F346 V360 L362 I371 K434 | S338-I342 PolarHBondContact O-N 2.78Å; C339-I342 PolarHBondContact O-N 2.65Å; I342-G344 VanDerWaalsContact C-N 3.34Å; I342-G344 PolarHBondContact O-N 3.4Å; I342-M345 PolarHBondContact O-N 2.81Å; I342-F346 HydrophobicContact CG2-CD1 4.48Å; I342-F346 HydrophobicContact CG2-CE1 4.08Å; I342-F346 HydrophobicContact CG2-CE2 4.18Å; I342-F346 HydrophobicContact CG2-CZ 3.92Å; I342-F346 PolarHBondContact O-N 2.86Å; I342-V360 HydrophobicContact CD1-CG1 3.98Å; I342-V360 HydrophobicContact CG1-CG1 4.03Å; I342-V360 HydrophobicContact CG2-CB 3.91Å; I342-V360 HydrophobicContact CG2-CG1 3.82Å; I342-L362 HydrophobicContact CD1-CB 4.29Å; I342-I371 HydrophobicContact CD1-CD1 4.32Å; I342-I371 HydrophobicContact CD1-CG1 4.26Å; I342-I371 HydrophobicContact CD1-CG2 3.95Å; I342-I371 HydrophobicContact CG1-CD1 4.08Å; I342-I371 HydrophobicContact CG1-CG1 4.48Å; I342-I371 HydrophobicContact CG1-CG2 3.95Å; I342-K434 HydrophobicContact CG2-CB 3.83Å; I342-K434 HydrophobicContact CG2-CG 3.99Å |
| 343 | T | 88 | Confident | 86.6 | Confident | 39 Ų | 39 | 55 Ų | 55 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | C339 N340 L341 F346 Q347 | C339-T343 PolarHBondContact O-N 2.79Å; C339-T343 PolarHBondContact O-OG1 3.39Å; N340-T343 PolarHBondContact O-N 3.1Å; L341-T343 VanDerWaalsContact C-N 3.34Å; L341-T343 PolarHBondContact O-N 3.22Å; T343-F346 PolarHBondContact O-N 3.18Å; T343-Q347 WeakPolarHBondContact O-CG 3.25Å; T343-Q347 PolarHBondContact O-N 3.04Å |
| 344 | G | 85.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N340 L341 I342 Q347 R348 | N340-G344 PolarHBondContact O-N 2.97Å; L341-G344 PolarHBondContact O-N 3.13Å; I342-G344 VanDerWaalsContact C-N 3.34Å; I342-G344 PolarHBondContact O-N 3.4Å; G344-Q347 PolarHBondContact O-N 2.83Å; G344-R348 WeakPolarHBondContact O-CG 3.3Å; G344-R348 PolarHBondContact O-N 2.94Å; G344-R348 PolarHBondContact O-NE 3.19Å |
| 345 | M | 90 | Very high | 86.8 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 172.9 | -178.7 | -170.8 | 172.3 | 0 | 0 | 110.8 | L341 I342 Q347 R348 L349 W375 F384 V392 Y397 | L341-M345 PolarHBondContact O-N 3.3Å; I342-M345 PolarHBondContact O-N 2.81Å; M345-Q347 VanDerWaalsContact C-N 3.34Å; M345-Q347 PolarHBondContact O-N 3.43Å; M345-R348 PolarHBondContact O-N 2.8Å; M345-L349 HydrophobicContact CE-CD1 3.64Å; M345-L349 HydrophobicContact CG-CD1 3.76Å; M345-L349 WeakPolarHBondContact O-CG 3.5Å; M345-L349 PolarHBondContact O-N 2.91Å; M345-L349 VanDerWaalsContact O-N 3.11Å; M345-L349 HydrophobicContact SD-CD1 4.47Å; M345-W375 HydrophobicContact CE-CH2 3.62Å; M345-W375 HydrophobicContact CE-CZ2 3.53Å; M345-W375 HydrophobicContact SD-CH2 4.48Å; M345-W375 HydrophobicContact SD-CZ2 4.26Å; M345-F384 HydrophobicContact CE-CE1 3.77Å; M345-F384 HydrophobicContact CE-CZ 3.78Å; M345-V392 HydrophobicContact CG-CG1 4.45Å; M345-Y397 HydrophobicContact SD-CE2 3.92Å |
| 346 | F | 92.4 | Very high | 87.2 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | -179.3 | -75.2 | 7.7 | 0 | 0 | 0 | 113.3 | I342 T343 R348 L349 V360 W375 K434 F436 | I342-F346 HydrophobicContact CG2-CD1 4.48Å; I342-F346 HydrophobicContact CG2-CE1 4.08Å; I342-F346 HydrophobicContact CG2-CE2 4.18Å; I342-F346 HydrophobicContact CG2-CZ 3.92Å; I342-F346 PolarHBondContact O-N 2.86Å; T343-F346 PolarHBondContact O-N 3.18Å; F346-R348 VanDerWaalsContact C-N 3.3Å; F346-R348 PolarHBondContact O-N 3.16Å; F346-L349 PolarHBondContact O-N 3.13Å; F346-V360 HydrophobicContact CE1-CB 4.38Å; F346-V360 HydrophobicContact CE1-CG2 3.78Å; F346-V360 HydrophobicContact CZ-CB 3.9Å; F346-V360 HydrophobicContact CZ-CG2 3.61Å; F346-W375 HydrophobicContact CD1-CH2 4.12Å; F346-W375 AromaticContact CE1-CH2 3.63Å; F346-W375 HydrophobicContact CE1-CH2 3.63Å; F346-W375 AromaticContact CE1-CZ2 3.86Å; F346-W375 HydrophobicContact CE1-CZ2 3.86Å; F346-K434 HydrophobicContact CD2-CB 4.29Å; F346-K434 HydrophobicContact CE2-CB 3.62Å; F346-K434 HydrophobicContact CZ-CB 4.31Å; F346-F436 HydrophobicContact CB-CD2 3.91Å; F346-F436 HydrophobicContact CD1-CB 4.1Å; F346-F436 AromaticContact CD1-CD2 3.92Å; F346-F436 HydrophobicContact CD1-CD2 3.92Å; F346-F436 HydrophobicContact CD1-CG 4.34Å; F346-F436 HydrophobicContact CD2-CB 3.93Å; F346-F436 HydrophobicContact CD2-CD2 4.17Å; F346-F436 HydrophobicContact CE1-CB 3.85Å; F346-F436 HydrophobicContact CE1-CD2 4.49Å; F346-F436 HydrophobicContact CE1-CG 4.48Å; F346-F436 HydrophobicContact CE2-CB 3.68Å; F346-F436 VanDerWaalsContact CE2-N 3.29Å; F346-F436 HydrophobicContact CG-CB 4.14Å; F346-F436 AromaticContact CG-CD2 3.74Å; F346-F436 HydrophobicContact CG-CD2 3.74Å; F346-F436 HydrophobicContact CG-CG 4.4Å; F346-F436 HydrophobicContact CZ-CB 3.64Å |
| 347 | Q | 84.9 | Confident | 87.9 | Confident | 128 Ų | 128 | 51.6 Ų | 51.6 | 60% | 0.598 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.4 | -37.3 | 177.3 | -75.2 | 174 | -5.7 | 0 | 0 | 112.1 | T343 G344 M345 L349 | T343-Q347 WeakPolarHBondContact O-CG 3.25Å; T343-Q347 PolarHBondContact O-N 3.04Å; G344-Q347 PolarHBondContact O-N 2.83Å; M345-Q347 VanDerWaalsContact C-N 3.34Å; M345-Q347 PolarHBondContact O-N 3.43Å; Q347-L349 VanDerWaalsContact C-N 3.33Å |
| 348 | R | 85.1 | Confident | 88.6 | Confident | 140 Ų | 140 | 46.8 Ų | 46.8 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -76.5 | -20.1 | 178.3 | -73.5 | -175.6 | -71.6 | -129.8 | 0.8 | 113.3 | G344 M345 F346 V392 D393 | G344-R348 WeakPolarHBondContact O-CG 3.3Å; G344-R348 PolarHBondContact O-N 2.94Å; G344-R348 PolarHBondContact O-NE 3.19Å; M345-R348 PolarHBondContact O-N 2.8Å; F346-R348 VanDerWaalsContact C-N 3.3Å; F346-R348 PolarHBondContact O-N 3.16Å; R348-V392 HydrophobicContact CB-CB 4.35Å; R348-V392 HydrophobicContact CB-CG1 3.53Å; R348-V392 HydrophobicContact CB-CG2 3.97Å; R348-V392 HydrophobicContact CG-CG1 4.32Å; R348-D393 IonicContact CZ-OD2 2.78Å; R348-D393 IonicContact NE-OD2 3.47Å; R348-D393 IonicContact NH2-OD1 3.13Å; R348-D393 IonicContact NH2-OD2 2.66Å; R348-D393 PolarHBondContact NH2-OD2 3.16Å |
| 349 | L | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.5 | 179 | -70.4 | 170.8 | 0 | 0 | 0 | 114.4 | M345 F346 Q347 K351 L352 W375 F384 W390 V392 F436 | M345-L349 HydrophobicContact CE-CD1 3.64Å; M345-L349 HydrophobicContact CG-CD1 3.76Å; M345-L349 WeakPolarHBondContact O-CG 3.5Å; M345-L349 PolarHBondContact O-N 2.91Å; M345-L349 VanDerWaalsContact O-N 3.11Å; M345-L349 HydrophobicContact SD-CD1 4.47Å; F346-L349 PolarHBondContact O-N 3.13Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 2.57Å; L349-L352 HydrophobicContact CD2-CD2 4.27Å; L349-L352 WeakPolarHBondContact O-CA 3.21Å; L349-L352 WeakPolarHBondContact O-CB 3.42Å; L349-L352 PolarHBondContact O-N 2.78Å; L349-W375 HydrophobicContact CD1-CH2 3.88Å; L349-W375 HydrophobicContact CD1-CZ3 4.22Å; L349-F384 HydrophobicContact CD1-CE1 3.71Å; L349-F384 HydrophobicContact CD1-CZ 4.37Å; L349-F384 HydrophobicContact CD2-CD1 4.09Å; L349-F384 HydrophobicContact CD2-CE1 3.77Å; L349-F384 HydrophobicContact CG-CE1 4.4Å; L349-W390 HydrophobicContact CD2-CB 4.43Å; L349-W390 WeakPolarHBondContact CD2-O 3.28Å; L349-V392 HydrophobicContact CD2-CB 3.98Å; L349-V392 HydrophobicContact CD2-CG2 4.16Å; L349-V392 HydrophobicContact CG-CB 4.3Å; L349-F436 HydrophobicContact CB-CE2 3.77Å; L349-F436 HydrophobicContact CB-CZ 3.89Å; L349-F436 VanDerWaalsContact O-CZ 3.32Å; L349-F436 WeakPolarHBondContact O-CZ 3.37Å |
| 350 | D | 82.7 | Confident | 89.4 | Confident | 71 Ų | 71 | 46.5 Ų | 46.5 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -55.5 | -34.1 | -170.3 | -158.5 | 52.4 | 0 | 0 | 0 | 114.4 | L352 R353 | D350-L352 VanDerWaalsContact C-N 3.27Å; D350-L352 PolarHBondContact O-N 2.87Å; D350-R353 WeakPolarHBondContact O-CB 3.39Å; D350-R353 PolarHBondContact O-N 3.35Å; D350-R353 VanDerWaalsContact O-N 3.14Å; D350-R353 IonicContact OD1-CZ 3.87Å; D350-R353 VanDerWaalsContact OD1-CZ 3.29Å; D350-R353 IonicContact OD1-NE 2.79Å; D350-R353 PolarHBondContact OD1-NE 3.22Å; D350-R353 IonicContact OD1-NH2 2.72Å; D350-R353 PolarHBondContact OD1-NH2 2.76Å |
| 351 | K | 83.3 | Confident | 89.9 | Confident | 134 Ų | 134 | 41.7 Ų | 41.7 | 58% | 0.583 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -66.6 | -25.5 | 175.7 | -63.9 | -171.2 | -175 | -176.2 | 0 | 113.9 | L349 R353 D389 | L349-K351 PolarHBondContact O-N 2.57Å; K351-R353 VanDerWaalsContact C-N 3.29Å; K351-D389 HydrophobicContact CD-CB 4.29Å; K351-D389 IonicContact NZ-OD2 2.74Å; K351-D389 PolarHBondContact NZ-OD2 2.59Å |
| 352 | L | 89.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -80.6 | -14.4 | 177.6 | -174.3 | 56.7 | 0 | 0 | 0 | 111.7 | F280 L349 D350 K354 N355 A356 F377 A383 F384 W390 F436 | F280-L352 HydrophobicContact CE2-CD1 4.4Å; L349-L352 HydrophobicContact CD2-CD2 4.27Å; L349-L352 WeakPolarHBondContact O-CA 3.21Å; L349-L352 WeakPolarHBondContact O-CB 3.42Å; L349-L352 PolarHBondContact O-N 2.78Å; D350-L352 VanDerWaalsContact C-N 3.27Å; D350-L352 PolarHBondContact O-N 2.87Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 2.91Å; L352-N355 CarbonylContact O-C 3.53Å; L352-N355 PolarHBondContact O-N 3.11Å; L352-A356 HydrophobicContact CD1-CB 4.21Å; L352-A356 HydrophobicContact CD2-CB 4.35Å; L352-A356 HydrophobicContact CG-CB 3.79Å; L352-A356 PolarHBondContact O-N 2.91Å; L352-A356 VanDerWaalsContact O-N 3.1Å; L352-F377 HydrophobicContact CD2-CD1 4.4Å; L352-F377 HydrophobicContact CD2-CE1 3.8Å; L352-A383 HydrophobicContact CD1-CB 3.96Å; L352-A383 HydrophobicContact CD2-CB 4.16Å; L352-F384 HydrophobicContact CD2-CE1 4.46Å; L352-W390 HydrophobicContact CB-CD2 4.43Å; L352-W390 HydrophobicContact CB-CG 4.27Å; L352-W390 HydrophobicContact CD1-CD2 3.89Å; L352-W390 HydrophobicContact CD1-CE3 4.01Å; L352-W390 HydrophobicContact CD1-CG 4.47Å; L352-W390 HydrophobicContact CD1-CH2 4.24Å; L352-W390 HydrophobicContact CD1-CZ2 4.15Å; L352-W390 HydrophobicContact CD1-CZ3 4.17Å; L352-F436 HydrophobicContact CB-CZ 4.38Å |
| 353 | R | 87.4 | Confident | 90.4 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 28% | 0.275 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -54.4 | -40.1 | -173.9 | -166.7 | -178.4 | -62.9 | -83.5 | -2.5 | 112.6 | K294 D350 K351 N355 F436 K437 | K294-R353 PolarHBondContact NZ-O 2.82Å; D350-R353 WeakPolarHBondContact O-CB 3.39Å; D350-R353 PolarHBondContact O-N 3.35Å; D350-R353 VanDerWaalsContact O-N 3.14Å; D350-R353 IonicContact OD1-CZ 3.87Å; D350-R353 VanDerWaalsContact OD1-CZ 3.29Å; D350-R353 IonicContact OD1-NE 2.79Å; D350-R353 PolarHBondContact OD1-NE 3.22Å; D350-R353 IonicContact OD1-NH2 2.72Å; D350-R353 PolarHBondContact OD1-NH2 2.76Å; K351-R353 VanDerWaalsContact C-N 3.29Å; R353-N355 PolarHBondContact O-N 2.73Å; R353-F436 HydrophobicContact CB-CE1 4.33Å; R353-F436 HydrophobicContact CB-CZ 3.89Å; R353-F436 HydrophobicContact CG-CZ 4.38Å; R353-K437 WeakPolarHBondContact CD-O 3.43Å; R353-K437 VanDerWaalsContact CG-O 3.29Å; R353-K437 WeakPolarHBondContact CG-O 3.48Å; R353-K437 WeakPolarHBondContact CG-OXT 3.4Å; R353-K437 PolarHBondContact NH1-O 3.11Å |
| 354 | K | 86.5 | Confident | 90.6 | Very high | 165 Ų | 165 | 37.8 Ų | 37.8 | 72% | 0.717 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -61.8 | -29.7 | 178.2 | -68.7 | -174.4 | 177.4 | -178.1 | 0 | 114 | L352 | L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 2.91Å |
| 355 | N | 90.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -116.9 | 14.8 | -170.9 | -66.9 | -39.8 | 0 | 0 | 0 | 113 | F280 W319 L352 R353 R378 | F280-N355 HydrophobicContact CD2-CB 3.89Å; F280-N355 WeakPolarHBondContact CD2-ND2 3.3Å; F280-N355 HydrophobicContact CE2-CB 3.74Å; W319-N355 WeakPolarHBondContact CZ3-O 3.45Å; L352-N355 CarbonylContact O-C 3.53Å; L352-N355 PolarHBondContact O-N 3.11Å; R353-N355 PolarHBondContact O-N 2.73Å; N355-R378 HydrophobicContact CB-CB 4.07Å; N355-R378 PolarHBondContact O-N 2.82Å; N355-R378 VanDerWaalsContact O-N 3.08Å |
| 356 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K294 L352 V376 F377 F436 | K294-A356 VanDerWaalsContact CE-O 3.32Å; K294-A356 WeakPolarHBondContact CE-O 3.48Å; K294-A356 PolarHBondContact NZ-O 2.69Å; K294-A356 VanDerWaalsContact NZ-O 3.1Å; L352-A356 HydrophobicContact CD1-CB 4.21Å; L352-A356 HydrophobicContact CD2-CB 4.35Å; L352-A356 HydrophobicContact CG-CB 3.79Å; L352-A356 PolarHBondContact O-N 2.91Å; L352-A356 VanDerWaalsContact O-N 3.1Å; A356-V376 WeakPolarHBondContact CA-O 3.41Å; A356-V376 WeakPolarHBondContact CB-O 3.21Å; A356-F377 HydrophobicContact CB-CD1 3.51Å; A356-F377 HydrophobicContact CB-CE1 3.7Å; A356-F436 HydrophobicContact CB-CD1 4.39Å; A356-F436 HydrophobicContact CB-CE1 4.01Å |
| 357 | F | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.3 | 169 | 173.5 | -90.4 | 0 | 0 | 0 | 108.2 | L290 F293 K294 Y297 W375 V376 F417 I435 F436 K437 | L290-F357 HydrophobicContact CD1-CB 3.97Å; F293-F357 AromaticContact CE1-CD1 3.87Å; F293-F357 HydrophobicContact CE1-CD1 3.87Å; F293-F357 HydrophobicContact CE1-CD2 4.16Å; F293-F357 AromaticContact CE1-CE1 3.9Å; F293-F357 HydrophobicContact CE1-CE1 3.9Å; F293-F357 HydrophobicContact CE1-CE2 4.17Å; F293-F357 HydrophobicContact CE1-CG 4Å; F293-F357 HydrophobicContact CE1-CZ 4.04Å; F293-F357 HydrophobicContact CZ-CE1 4.24Å; F293-F357 HydrophobicContact CZ-CZ 4.33Å; K294-F357 HydrophobicContact CG-CD2 3.94Å; Y297-F357 AromaticContact CD1-CE2 3.9Å; Y297-F357 HydrophobicContact CD1-CE2 3.9Å; Y297-F357 AromaticContact CD1-CZ 3.86Å; Y297-F357 HydrophobicContact CD1-CZ 3.86Å; Y297-F357 HydrophobicContact CD2-CZ 4.13Å; Y297-F357 HydrophobicContact CE1-CE2 4.18Å; Y297-F357 AromaticContact CE1-CZ 3.85Å; Y297-F357 HydrophobicContact CE1-CZ 3.85Å; Y297-F357 HydrophobicContact CE2-CZ 4.11Å; Y297-F357 HydrophobicContact CG-CE2 4.23Å; Y297-F357 HydrophobicContact CG-CZ 4.01Å; Y297-F357 AromaticContact CZ-CZ 3.98Å; F357-W375 CarbonylContact O-C 3.56Å; F357-V376 HydrophobicContact CB-CB 4.22Å; F357-V376 HydrophobicContact CB-CG2 4.32Å; F357-V376 HydrophobicContact CD1-CG2 4.01Å; F357-V376 PolarHBondContact N-O 2.86Å; F357-V376 PolarHBondContact O-N 2.8Å; F357-F417 HydrophobicContact CD1-CE1 4.15Å; F357-F417 HydrophobicContact CD1-CE2 4.05Å; F357-F417 AromaticContact CD1-CZ 3.69Å; F357-F417 HydrophobicContact CD1-CZ 3.69Å; F357-F417 HydrophobicContact CE1-CD1 4.04Å; F357-F417 AromaticContact CE1-CD2 3.99Å; F357-F417 HydrophobicContact CE1-CD2 3.99Å; F357-F417 AromaticContact CE1-CE1 3.71Å; F357-F417 HydrophobicContact CE1-CE1 3.71Å; F357-F417 AromaticContact CE1-CE2 3.65Å; F357-F417 HydrophobicContact CE1-CE2 3.65Å; F357-F417 HydrophobicContact CE1-CG 4.19Å; F357-F417 AromaticContact CE1-CZ 3.51Å; F357-F417 HydrophobicContact CE1-CZ 3.51Å; F357-I435 HydrophobicContact CD2-CG2 4.28Å; F357-I435 HydrophobicContact CE2-CG2 3.47Å; F357-I435 VanDerWaalsContact CE2-CG2 3.47Å; F357-I435 HydrophobicContact CZ-CG2 3.78Å; F357-F436 CarbonylContact C-O 3.53Å; F357-F436 VanDerWaalsContact CA-O 3.27Å; F357-F436 WeakPolarHBondContact CA-O 3.07Å; F357-F436 WeakPolarHBondContact CD2-O 3.3Å; F357-K437 HydrophobicContact CD2-CB 3.8Å; F357-K437 HydrophobicContact CE2-CB 3.98Å |
| 358 | A | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V374 W375 I435 F436 | A358-V374 CarbonylContact C-O 3.4Å; A358-V374 VanDerWaalsContact CA-O 3.24Å; A358-V374 WeakPolarHBondContact CA-O 3.29Å; A358-V374 WeakPolarHBondContact CB-O 3.24Å; A358-W375 HydrophobicContact CB-CB 4.18Å; A358-W375 HydrophobicContact CB-CD2 3.24Å; A358-W375 HydrophobicContact CB-CE3 3.28Å; A358-W375 HydrophobicContact CB-CG 3.66Å; A358-W375 HydrophobicContact CB-CH2 4.16Å; A358-W375 HydrophobicContact CB-CZ2 4.15Å; A358-W375 HydrophobicContact CB-CZ3 3.75Å; A358-I435 CarbonylContact O-C 3.55Å; A358-I435 WeakPolarHBondContact O-CA 3.5Å; A358-F436 HydrophobicContact CB-CB 3.95Å; A358-F436 PolarHBondContact N-O 3.17Å; A358-F436 PolarHBondContact O-N 3.29Å |
| 359 | S | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118 | 165 | -178.3 | 0 | 0 | 0 | 0 | 109 | G373 V374 Y416 W419 I435 | S359-G373 CarbonylContact O-C 3.52Å; S359-G373 WeakPolarHBondContact O-CA 3.1Å; S359-V374 PolarHBondContact N-O 2.85Å; S359-V374 PolarHBondContact O-N 2.84Å; S359-Y416 WeakPolarHBondContact CB-O 3.32Å; S359-Y416 PolarHBondContact OG-O 3.12Å; S359-W419 PolarHBondContact OG-NE1 3.47Å; S359-I435 WeakPolarHBondContact OG-CD1 3.47Å |
| 360 | V | 96.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 179 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | I342 F346 I371 S372 W375 G433 K434 | I342-V360 HydrophobicContact CD1-CG1 3.98Å; I342-V360 HydrophobicContact CG1-CG1 4.03Å; I342-V360 HydrophobicContact CG2-CB 3.91Å; I342-V360 HydrophobicContact CG2-CG1 3.82Å; F346-V360 HydrophobicContact CE1-CB 4.38Å; F346-V360 HydrophobicContact CE1-CG2 3.78Å; F346-V360 HydrophobicContact CZ-CB 3.9Å; F346-V360 HydrophobicContact CZ-CG2 3.61Å; V360-I371 HydrophobicContact CG1-CG2 3.52Å; V360-S372 CarbonylContact C-O 3.54Å; V360-S372 WeakPolarHBondContact CA-O 3.4Å; V360-W375 HydrophobicContact CG2-CZ2 3.74Å; V360-G433 CarbonylContact O-C 3.58Å; V360-G433 WeakPolarHBondContact O-CA 3.47Å; V360-K434 PolarHBondContact N-O 3.42Å; V360-K434 PolarHBondContact O-N 2.94Å |
| 361 | I | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135 | -173.8 | -59.6 | 175.4 | 0 | 0 | 0 | 109.3 | F363 I371 S372 Y416 W419 F423 F430 | I361-F363 HydrophobicContact CB-CD2 4.21Å; I361-F363 HydrophobicContact CB-CE1 4.48Å; I361-F363 HydrophobicContact CB-CE2 3.51Å; I361-F363 HydrophobicContact CB-CZ 3.68Å; I361-F363 HydrophobicContact CD1-CZ 3.99Å; I361-F363 HydrophobicContact CG1-CZ 4.45Å; I361-F363 HydrophobicContact CG2-CD1 4.06Å; I361-F363 HydrophobicContact CG2-CD2 3.82Å; I361-F363 HydrophobicContact CG2-CE1 3.68Å; I361-F363 HydrophobicContact CG2-CE2 3.43Å; I361-F363 VanDerWaalsContact CG2-CE2 3.43Å; I361-F363 HydrophobicContact CG2-CG 4.13Å; I361-F363 HydrophobicContact CG2-CZ 3.36Å; I361-I371 WeakPolarHBondContact O-CA 3.46Å; I361-S372 PolarHBondContact N-O 3.02Å; I361-S372 PolarHBondContact O-N 3.16Å; I361-S372 VanDerWaalsContact O-N 3.12Å; I361-Y416 HydrophobicContact CB-CD1 4.42Å; I361-Y416 HydrophobicContact CB-CE1 4.17Å; I361-Y416 HydrophobicContact CD1-CD1 3.54Å; I361-Y416 HydrophobicContact CD1-CE1 3.91Å; I361-Y416 HydrophobicContact CD1-CG 4.03Å; I361-Y416 HydrophobicContact CG1-CD1 3.84Å; I361-Y416 HydrophobicContact CG1-CE1 4.1Å; I361-W419 HydrophobicContact CD1-CG 4.47Å; I361-F423 HydrophobicContact CD1-CE1 3.79Å; I361-F423 HydrophobicContact CD1-CZ 4.05Å; I361-F430 HydrophobicContact CD1-CD2 4.32Å; I361-F430 HydrophobicContact CD1-CE2 4.24Å; I361-F430 HydrophobicContact CG1-CE2 4.33Å; I361-F430 HydrophobicContact CG2-CD2 3.52Å; I361-F430 HydrophobicContact CG2-CE2 3.69Å |
| 362 | L | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.3 | 161.4 | -178.2 | 72.2 | 0 | 0 | 0 | 108.4 | T335 S338 I342 I371 N431 Q432 | T335-L362 HydrophobicContact CG2-CD2 4.08Å; T335-L362 VanDerWaalsContact O-CD2 3.26Å; T335-L362 WeakPolarHBondContact O-CD2 3.35Å; S338-L362 VanDerWaalsContact CB-CD1 3.49Å; I342-L362 HydrophobicContact CD1-CB 4.29Å; L362-I371 HydrophobicContact CD1-CD1 4.35Å; L362-I371 HydrophobicContact CD1-CG1 3.64Å; L362-N431 HydrophobicContact CD2-CB 4.37Å; L362-N431 HydrophobicContact CG-CB 4.29Å; L362-N431 WeakPolarHBondContact O-CA 3.35Å; L362-N431 WeakPolarHBondContact O-CB 3.25Å; L362-N431 PolarHBondContact O-N 3.2Å; L362-Q432 HydrophobicContact CB-CG 3.93Å; L362-Q432 HydrophobicContact CD2-CG 4.03Å; L362-Q432 PolarHBondContact N-O 2.89Å; L362-Q432 PolarHBondContact O-N 3.32Å |
| 363 | F | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 155.6 | 174.2 | -62.6 | -88.4 | 0 | 0 | 0 | 110.8 | I361 S369 S370 S372 Y416 F423 V426 K428 A429 | I361-F363 HydrophobicContact CB-CD2 4.21Å; I361-F363 HydrophobicContact CB-CE1 4.48Å; I361-F363 HydrophobicContact CB-CE2 3.51Å; I361-F363 HydrophobicContact CB-CZ 3.68Å; I361-F363 HydrophobicContact CD1-CZ 3.99Å; I361-F363 HydrophobicContact CG1-CZ 4.45Å; I361-F363 HydrophobicContact CG2-CD1 4.06Å; I361-F363 HydrophobicContact CG2-CD2 3.82Å; I361-F363 HydrophobicContact CG2-CE1 3.68Å; I361-F363 HydrophobicContact CG2-CE2 3.43Å; I361-F363 VanDerWaalsContact CG2-CE2 3.43Å; I361-F363 HydrophobicContact CG2-CG 4.13Å; I361-F363 HydrophobicContact CG2-CZ 3.36Å; F363-S369 CarbonylContact O-C 3.59Å; F363-S369 WeakPolarHBondContact O-CA 3.5Å; F363-S369 WeakPolarHBondContact O-CB 3.27Å; F363-S370 PolarHBondContact N-O 2.84Å; F363-S370 PolarHBondContact O-N 2.72Å; F363-S372 WeakPolarHBondContact CE2-OG 3.43Å; F363-Y416 HydrophobicContact CE2-CE1 4.16Å; F363-Y416 HydrophobicContact CZ-CE1 4.26Å; F363-F423 HydrophobicContact CE1-CB 3.78Å; F363-F423 AromaticContact CE1-CD1 3.61Å; F363-F423 HydrophobicContact CE1-CD1 3.61Å; F363-F423 AromaticContact CE1-CD2 3.8Å; F363-F423 HydrophobicContact CE1-CD2 3.8Å; F363-F423 HydrophobicContact CE1-CE1 4.06Å; F363-F423 HydrophobicContact CE1-CE2 4.24Å; F363-F423 AromaticContact CE1-CG 3.45Å; F363-F423 HydrophobicContact CE1-CG 3.45Å; F363-F423 VanDerWaalsContact CE1-CG 3.45Å; F363-F423 HydrophobicContact CE1-CZ 4.36Å; F363-F423 HydrophobicContact CZ-CB 4.34Å; F363-F423 AromaticContact CZ-CD1 3.61Å; F363-F423 HydrophobicContact CZ-CD1 3.61Å; F363-F423 AromaticContact CZ-CE1 3.96Å; F363-F423 HydrophobicContact CZ-CE1 3.96Å; F363-F423 AromaticContact CZ-CG 3.96Å; F363-F423 HydrophobicContact CZ-CG 3.96Å; F363-V426 HydrophobicContact CB-CG1 3.98Å; F363-V426 HydrophobicContact CD1-CG1 4.28Å; F363-V426 HydrophobicContact CD2-CB 4.49Å; F363-V426 HydrophobicContact CD2-CG1 3.79Å; F363-V426 HydrophobicContact CD2-CG2 4.21Å; F363-V426 HydrophobicContact CE1-CG2 4.34Å; F363-V426 HydrophobicContact CE2-CG1 4.33Å; F363-V426 HydrophobicContact CE2-CG2 3.91Å; F363-V426 HydrophobicContact CG-CB 4.43Å; F363-V426 HydrophobicContact CG-CG1 3.76Å; F363-V426 HydrophobicContact CZ-CG2 3.97Å; F363-K428 HydrophobicContact CB-CB 3.77Å; F363-K428 WeakPolarHBondContact CD1-O 3.45Å; F363-A429 CarbonylContact C-O 3.56Å; F363-A429 VanDerWaalsContact CA-O 3.31Å; F363-A429 WeakPolarHBondContact CA-O 3.49Å |
| 364 | G | 92.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.9 | -156.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S368 A429 N431 | G364-S368 WeakPolarHBondContact CA-O 3.21Å; G364-A429 PolarHBondContact N-O 3.42Å; G364-N431 WeakPolarHBondContact O-CB 3.36Å; G364-N431 PolarHBondContact O-ND2 2.8Å |
| 365 | T | 91.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 19.5 Ų | 19.5 | 56% | 0.558 | 12% | 0.116 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 178.1 | -174.7 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | T335 N367 S368 S369 | T335-T365 VanDerWaalsContact CG2-C 3.5Å; T365-N367 PolarHBondContact O-N 2.98Å; T365-S368 PolarHBondContact N-O 3.24Å; T365-S368 CarbonylContact O-C 3.59Å; T365-S368 PolarHBondContact O-N 2.83Å; T365-S369 WeakPolarHBondContact O-CB 3.39Å; T365-S369 PolarHBondContact O-N 3.36Å |
| 366 | N | 88.3 | Confident | 94.1 | Very high | 68 Ų | 68 | 17.9 Ų | 17.9 | 36% | 0.364 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.3 | 174.3 | -64.2 | -13.9 | 0 | 0 | 0 | 110.6 | T333 Q334 T335 S368 | T333-N366 CarbonylContact O-C 3.4Å; T333-N366 VanDerWaalsContact O-CA 3.27Å; T333-N366 WeakPolarHBondContact O-CA 3.12Å; Q334-N366 PolarHBondContact OE1-ND2 3.1Å; T335-N366 WeakPolarHBondContact CB-OD1 3.38Å; T335-N366 VanDerWaalsContact CG2-OD1 3.3Å; T335-N366 WeakPolarHBondContact CG2-OD1 3.24Å; T335-N366 PolarHBondContact N-OD1 2.56Å; T335-N366 PolarHBondContact OG1-OD1 3.34Å; N366-S368 PolarHBondContact O-N 3.24Å; N366-S368 VanDerWaalsContact O-N 3.1Å |
| 367 | N | 85.9 | Confident | 94.1 | Very high | 122 Ų | 122 | 17.9 Ų | 17.9 | 65% | 0.652 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 3.2 | -177.6 | -47 | -62.4 | 0 | 0 | 0 | 115.4 | T333 T365 | T333-N367 PolarHBondContact O-N 3.04Å; T365-N367 PolarHBondContact O-N 2.98Å |
| 368 | S | 90.5 | Very high | 93.9 | Very high | 64 Ų | 64 | 19 Ų | 19 | 45% | 0.448 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 56.1 | 173.3 | -170 | 0 | 0 | 0 | 0 | 109.4 | G364 T365 N366 K428 | G364-S368 WeakPolarHBondContact CA-O 3.21Å; T365-S368 PolarHBondContact N-O 3.24Å; T365-S368 CarbonylContact O-C 3.59Å; T365-S368 PolarHBondContact O-N 2.83Å; N366-S368 PolarHBondContact O-N 3.24Å; N366-S368 VanDerWaalsContact O-N 3.1Å; S368-K428 PolarHBondContact O-NZ 2.96Å |
| 369 | S | 90.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 160 | 178.4 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | L332 F363 T365 K428 | L332-S369 WeakPolarHBondContact CB-OG 3.21Å; L332-S369 PolarHBondContact O-OG 2.96Å; F363-S369 CarbonylContact O-C 3.59Å; F363-S369 WeakPolarHBondContact O-CA 3.5Å; F363-S369 WeakPolarHBondContact O-CB 3.27Å; T365-S369 WeakPolarHBondContact O-CB 3.39Å; T365-S369 PolarHBondContact O-N 3.36Å; S369-K428 PolarHBondContact O-NZ 3.15Å |
| 370 | S | 93.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 11% | 0.105 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155.8 | 171.1 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | F363 | F363-S370 PolarHBondContact N-O 2.84Å; F363-S370 PolarHBondContact O-N 2.72Å |
| 371 | I | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.2 | 178.7 | -60.9 | 166.1 | 0 | 0 | 0 | 108 | Y326 L332 L341 I342 V360 I361 L362 Y397 | Y326-I371 WeakPolarHBondContact CB-O 3.44Å; Y326-I371 PolarHBondContact N-O 2.8Å; L332-I371 HydrophobicContact CD1-CD1 3.86Å; L332-I371 HydrophobicContact CD1-CG1 3.82Å; L332-I371 HydrophobicContact CD2-CD1 3.93Å; L341-I371 HydrophobicContact CD2-CD1 4.3Å; I342-I371 HydrophobicContact CD1-CD1 4.32Å; I342-I371 HydrophobicContact CD1-CG1 4.26Å; I342-I371 HydrophobicContact CD1-CG2 3.95Å; I342-I371 HydrophobicContact CG1-CD1 4.08Å; I342-I371 HydrophobicContact CG1-CG1 4.48Å; I342-I371 HydrophobicContact CG1-CG2 3.95Å; V360-I371 HydrophobicContact CG1-CG2 3.52Å; I361-I371 WeakPolarHBondContact O-CA 3.46Å; L362-I371 HydrophobicContact CD1-CD1 4.35Å; L362-I371 HydrophobicContact CD1-CG1 3.64Å; I371-Y397 HydrophobicContact CG2-CE1 4.05Å |
| 372 | S | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 165.6 | 172.4 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | Y323 S324 V360 I361 F363 Y416 | Y323-S372 VanDerWaalsContact OH-CB 3.3Å; Y323-S372 WeakPolarHBondContact OH-CB 3.36Å; S324-S372 CarbonylContact O-C 3.56Å; S324-S372 WeakPolarHBondContact O-CA 3.45Å; S324-S372 VanDerWaalsContact O-CB 3.27Å; S324-S372 WeakPolarHBondContact O-CB 3.45Å; V360-S372 CarbonylContact C-O 3.54Å; V360-S372 WeakPolarHBondContact CA-O 3.4Å; I361-S372 PolarHBondContact N-O 3.02Å; I361-S372 PolarHBondContact O-N 3.16Å; I361-S372 VanDerWaalsContact O-N 3.12Å; F363-S372 WeakPolarHBondContact CE2-OG 3.43Å; S372-Y416 VanDerWaalsContact CB-OH 3.26Å; S372-Y416 WeakPolarHBondContact CB-OH 3.12Å; S372-Y416 WeakPolarHBondContact O-CE1 3.08Å; S372-Y416 PolarHBondContact OG-OH 2.98Å |
| 373 | G | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 160.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y323 S324 S359 | Y323-G373 WeakPolarHBondContact CA-O 3.27Å; S324-G373 PolarHBondContact N-O 3.33Å; S324-G373 PolarHBondContact O-N 3.39Å; S324-G373 PolarHBondContact OG-N 2.83Å; S324-G373 PolarHBondContact OG-O 2.86Å; S359-G373 CarbonylContact O-C 3.52Å; S359-G373 WeakPolarHBondContact O-CA 3.1Å |
| 374 | V | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.6 | 174 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | W322 Y323 A358 S359 L412 V413 Y416 F417 | W322-V374 CarbonylContact O-C 3.51Å; W322-V374 WeakPolarHBondContact O-CA 3.47Å; Y323-V374 HydrophobicContact CD2-CG2 4.28Å; A358-V374 CarbonylContact C-O 3.4Å; A358-V374 VanDerWaalsContact CA-O 3.24Å; A358-V374 WeakPolarHBondContact CA-O 3.29Å; A358-V374 WeakPolarHBondContact CB-O 3.24Å; S359-V374 PolarHBondContact N-O 2.85Å; S359-V374 PolarHBondContact O-N 2.84Å; V374-L412 HydrophobicContact CG2-CB 4.23Å; V374-V413 HydrophobicContact CG1-CG2 4.04Å; V374-Y416 HydrophobicContact CB-CG 4.21Å; V374-Y416 HydrophobicContact CG2-CD1 4.09Å; V374-Y416 HydrophobicContact CG2-CD2 3.64Å; V374-Y416 HydrophobicContact CG2-CE2 4.2Å; V374-Y416 HydrophobicContact CG2-CG 3.54Å; V374-F417 HydrophobicContact CB-CE1 4.15Å; V374-F417 HydrophobicContact CG1-CE1 3.85Å; V374-F417 HydrophobicContact CG1-CZ 4.4Å |
| 375 | W | 97.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.5 | -176.2 | -64.6 | 75.2 | 0 | 0 | 0 | 110.8 | L321 W322 S324 M345 F346 L349 F357 A358 V360 F377 F384 W399 F436 | L321-W375 CarbonylContact C-O 3.5Å; L321-W375 WeakPolarHBondContact CA-O 3.32Å; W322-W375 HydrophobicContact CB-CB 4.28Å; W322-W375 PolarHBondContact N-O 3.13Å; W322-W375 PolarHBondContact O-N 3.37Å; S324-W375 PolarHBondContact OG-NE1 3.5Å; M345-W375 HydrophobicContact CE-CH2 3.62Å; M345-W375 HydrophobicContact CE-CZ2 3.53Å; M345-W375 HydrophobicContact SD-CH2 4.48Å; M345-W375 HydrophobicContact SD-CZ2 4.26Å; F346-W375 HydrophobicContact CD1-CH2 4.12Å; F346-W375 AromaticContact CE1-CH2 3.63Å; F346-W375 HydrophobicContact CE1-CH2 3.63Å; F346-W375 AromaticContact CE1-CZ2 3.86Å; F346-W375 HydrophobicContact CE1-CZ2 3.86Å; L349-W375 HydrophobicContact CD1-CH2 3.88Å; L349-W375 HydrophobicContact CD1-CZ3 4.22Å; F357-W375 CarbonylContact O-C 3.56Å; A358-W375 HydrophobicContact CB-CB 4.18Å; A358-W375 HydrophobicContact CB-CD2 3.24Å; A358-W375 HydrophobicContact CB-CE3 3.28Å; A358-W375 HydrophobicContact CB-CG 3.66Å; A358-W375 HydrophobicContact CB-CH2 4.16Å; A358-W375 HydrophobicContact CB-CZ2 4.15Å; A358-W375 HydrophobicContact CB-CZ3 3.75Å; V360-W375 HydrophobicContact CG2-CZ2 3.74Å; W375-F377 HydrophobicContact CB-CD2 4.21Å; W375-F377 HydrophobicContact CB-CE1 4.44Å; W375-F377 HydrophobicContact CB-CE2 3.56Å; W375-F377 HydrophobicContact CB-CZ 3.69Å; W375-F377 HydrophobicContact CD2-CE1 4.39Å; W375-F377 HydrophobicContact CD2-CE2 4.37Å; W375-F377 AromaticContact CD2-CZ 3.69Å; W375-F377 HydrophobicContact CD2-CZ 3.69Å; W375-F377 AromaticContact CE3-CE1 3.57Å; W375-F377 HydrophobicContact CE3-CE1 3.57Å; W375-F377 HydrophobicContact CE3-CE2 4.32Å; W375-F377 AromaticContact CE3-CZ 3.28Å; W375-F377 HydrophobicContact CE3-CZ 3.28Å; W375-F377 HydrophobicContact CG-CE2 4.1Å; W375-F377 AromaticContact CG-CZ 3.89Å; W375-F377 HydrophobicContact CG-CZ 3.89Å; W375-F377 HydrophobicContact CZ3-CE1 4.26Å; W375-F377 HydrophobicContact CZ3-CZ 4.16Å; W375-F384 HydrophobicContact CE3-CZ 4.29Å; W375-F384 HydrophobicContact CH2-CZ 4.24Å; W375-F384 HydrophobicContact CZ3-CZ 4.12Å; W375-W399 HydrophobicContact CB-CZ3 4.46Å; W375-W399 AromaticContact CD1-CH2 3.99Å; W375-W399 AromaticContact CD1-CZ3 3.55Å; W375-W399 HydrophobicContact CD2-CH2 4.21Å; W375-W399 HydrophobicContact CD2-CZ3 4.19Å; W375-W399 AromaticContact CE2-CH2 3.85Å; W375-W399 HydrophobicContact CG-CH2 4.32Å; W375-W399 AromaticContact CG-CZ3 3.84Å; W375-W399 HydrophobicContact CG-CZ3 3.84Å; W375-W399 HydrophobicContact CZ2-CH2 4.36Å; W375-W399 AromaticContact NE1-CH2 3.67Å; W375-W399 AromaticContact NE1-CZ3 3.73Å; W375-F436 HydrophobicContact CZ3-CD1 4.08Å; W375-F436 HydrophobicContact CZ3-CG 4.28Å |
| 376 | V | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.6 | 172.4 | -168.4 | 0 | 0 | 0 | 0 | 106.5 | F310 F314 W319 S320 L321 A356 F357 F417 | F310-V376 HydrophobicContact CE2-CG1 4.38Å; F310-V376 HydrophobicContact CE2-CG2 4.19Å; F310-V376 HydrophobicContact CZ-CG2 4.24Å; F314-V376 HydrophobicContact CE2-CG1 3.99Å; W319-V376 HydrophobicContact CE3-CG1 3.91Å; S320-V376 WeakPolarHBondContact O-CA 3.22Å; L321-V376 HydrophobicContact CD2-CB 4.4Å; L321-V376 HydrophobicContact CD2-CG1 4.44Å; L321-V376 HydrophobicContact CD2-CG2 3.75Å; A356-V376 WeakPolarHBondContact CA-O 3.41Å; A356-V376 WeakPolarHBondContact CB-O 3.21Å; F357-V376 HydrophobicContact CB-CB 4.22Å; F357-V376 HydrophobicContact CB-CG2 4.32Å; F357-V376 HydrophobicContact CD1-CG2 4.01Å; F357-V376 PolarHBondContact N-O 2.86Å; F357-V376 PolarHBondContact O-N 2.8Å; V376-F417 HydrophobicContact CG2-CE2 4.42Å; V376-F417 HydrophobicContact CG2-CZ 3.71Å |
| 377 | F | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.4 | 178.4 | -67 | -55.6 | 0 | 0 | 0 | 111.2 | W319 S320 W322 L352 A356 W375 L382 A383 F384 W399 | W319-F377 WeakPolarHBondContact CA-O 3.39Å; W319-F377 VanDerWaalsContact CE3-O 3.31Å; S320-F377 PolarHBondContact N-O 2.88Å; S320-F377 PolarHBondContact O-N 3.33Å; W322-F377 HydrophobicContact CB-CD2 4.43Å; W322-F377 HydrophobicContact CB-CE2 4.35Å; W322-F377 AromaticContact CD1-CD2 3.57Å; W322-F377 HydrophobicContact CG-CD2 4.05Å; W322-F377 HydrophobicContact CG-CE2 4.34Å; L352-F377 HydrophobicContact CD2-CD1 4.4Å; L352-F377 HydrophobicContact CD2-CE1 3.8Å; A356-F377 HydrophobicContact CB-CD1 3.51Å; A356-F377 HydrophobicContact CB-CE1 3.7Å; W375-F377 HydrophobicContact CB-CD2 4.21Å; W375-F377 HydrophobicContact CB-CE1 4.44Å; W375-F377 HydrophobicContact CB-CE2 3.56Å; W375-F377 HydrophobicContact CB-CZ 3.69Å; W375-F377 HydrophobicContact CD2-CE1 4.39Å; W375-F377 HydrophobicContact CD2-CE2 4.37Å; W375-F377 AromaticContact CD2-CZ 3.69Å; W375-F377 HydrophobicContact CD2-CZ 3.69Å; W375-F377 AromaticContact CE3-CE1 3.57Å; W375-F377 HydrophobicContact CE3-CE1 3.57Å; W375-F377 HydrophobicContact CE3-CE2 4.32Å; W375-F377 AromaticContact CE3-CZ 3.28Å; W375-F377 HydrophobicContact CE3-CZ 3.28Å; W375-F377 HydrophobicContact CG-CE2 4.1Å; W375-F377 AromaticContact CG-CZ 3.89Å; W375-F377 HydrophobicContact CG-CZ 3.89Å; W375-F377 HydrophobicContact CZ3-CE1 4.26Å; W375-F377 HydrophobicContact CZ3-CZ 4.16Å; F377-L382 HydrophobicContact CD2-CD1 4.27Å; F377-L382 HydrophobicContact CE2-CD1 3.83Å; F377-A383 HydrophobicContact CB-CB 4.24Å; F377-A383 HydrophobicContact CD1-CB 3.5Å; F377-A383 VanDerWaalsContact CD1-CB 3.5Å; F377-A383 HydrophobicContact CD2-CB 4.29Å; F377-A383 HydrophobicContact CE1-CB 3.87Å; F377-A383 HydrophobicContact CG-CB 3.76Å; F377-A383 HydrophobicContact CZ-CB 4.4Å; F377-F384 HydrophobicContact CE1-CE2 4.32Å; F377-F384 HydrophobicContact CE1-CZ 4.39Å; F377-F384 AromaticContact CE2-CE2 3.85Å; F377-F384 HydrophobicContact CE2-CE2 3.85Å; F377-F384 HydrophobicContact CZ-CD2 4.3Å; F377-F384 AromaticContact CZ-CE2 3.38Å; F377-F384 HydrophobicContact CZ-CE2 3.38Å; F377-F384 AromaticContact CZ-CZ 3.7Å; F377-F384 HydrophobicContact CZ-CZ 3.7Å; F377-W399 HydrophobicContact CE2-CZ3 4.15Å; F377-W399 HydrophobicContact CZ-CZ3 4.42Å |
| 378 | R | 91.9 | Very high | 91.4 | Very high | 24 Ų | 24 | 28 Ų | 28 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.3 | 168.7 | -172.6 | 62.6 | 174.4 | 94.4 | 4.8 | 109.7 | F280 L283 P284 G318 W319 N355 | F280-R378 HydrophobicContact CB-CG 4.11Å; F280-R378 HydrophobicContact CD1-CB 4.09Å; F280-R378 HydrophobicContact CD1-CG 4.07Å; F280-R378 HydrophobicContact CD2-CB 4.28Å; F280-R378 HydrophobicContact CD2-CG 4.5Å; F280-R378 HydrophobicContact CE1-CB 4.19Å; F280-R378 WeakPolarHBondContact CE1-O 3.48Å; F280-R378 HydrophobicContact CE2-CB 4.34Å; F280-R378 HydrophobicContact CG-CB 4.12Å; F280-R378 HydrophobicContact CG-CG 3.97Å; F280-R378 HydrophobicContact CZ-CB 4.31Å; L283-R378 HydrophobicContact CD1-CG 4.24Å; P284-R378 PolarHBondContact O-NH2 3.18Å; G318-R378 VanDerWaalsContact C-NH1 3.32Å; G318-R378 PolarHBondContact O-NH1 2.71Å; W319-R378 VanDerWaalsContact CE2-CD 3.47Å; W319-R378 VanDerWaalsContact CE3-CA 3.5Å; W319-R378 HydrophobicContact CE3-CB 4.11Å; W319-R378 VanDerWaalsContact CE3-N 3.29Å; W319-R378 HydrophobicContact CH2-CB 3.97Å; W319-R378 HydrophobicContact CH2-CG 4.48Å; W319-R378 HydrophobicContact CZ2-CB 4.45Å; W319-R378 HydrophobicContact CZ3-CB 3.8Å; W319-R378 VanDerWaalsContact CZ3-N 3.35Å; N355-R378 HydrophobicContact CB-CB 4.07Å; N355-R378 PolarHBondContact O-N 2.82Å; N355-R378 VanDerWaalsContact O-N 3.08Å |
| 379 | G | 91.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 83 | -172.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G318 W319 S320 | G318-G379 WeakPolarHBondContact O-CA 3.42Å; G318-G379 PolarHBondContact O-N 2.94Å; W319-G379 CarbonylContact C-O 3.46Å; S320-G379 WeakPolarHBondContact CB-O 3.25Å; S320-G379 PolarHBondContact N-O 3.07Å; S320-G379 PolarHBondContact OG-O 2.8Å |
| 380 | Q | 91.3 | Very high | 90.5 | Very high | 74 Ų | 74 | 29 Ų | 29 | 35% | 0.346 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -104.7 | -8.6 | -172.1 | -66.5 | -57.9 | -33.6 | 0 | 0 | 113.9 | K316 D317 W319 K401 | K316-Q380 PolarHBondContact O-NE2 3.19Å; D317-Q380 VanDerWaalsContact C-NE2 3.32Å; D317-Q380 PolarHBondContact O-NE2 3.44Å; W319-Q380 PolarHBondContact O-NE2 3.01Å; Q380-K401 WeakPolarHBondContact O-CE 3.19Å; Q380-K401 PolarHBondContact O-NZ 2.78Å |
| 381 | E | 90.2 | Very high | 90.1 | Very high | 132 Ų | 132 | 33 Ų | 33 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -100.2 | 159.4 | 179.8 | -61.6 | -173.3 | 162.3 | 0 | 0 | 110.4 | A383 L386 | E381-A383 PolarHBondContact O-N 3.11Å; E381-L386 HydrophobicContact CB-CD2 4.49Å; E381-L386 WeakPolarHBondContact OE2-CD2 3.43Å |
| 382 | L | 91.6 | Very high | 89.4 | Confident | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | trans | -63.5 | 130.9 | 172.1 | -176.8 | 64.1 | 0 | 0 | 0 | 108.5 | W322 F377 F384 P385 Y394 W399 | W322-L382 HydrophobicContact CD2-CD1 3.9Å; W322-L382 HydrophobicContact CE3-CD1 3.91Å; W322-L382 HydrophobicContact CG-CD1 4.31Å; W322-L382 HydrophobicContact CH2-CB 3.84Å; W322-L382 HydrophobicContact CZ2-CB 3.93Å; W322-L382 VanDerWaalsContact CZ2-N 3.31Å; W322-L382 HydrophobicContact CZ3-CB 4.15Å; W322-L382 HydrophobicContact CZ3-CD1 4.3Å; F377-L382 HydrophobicContact CD2-CD1 4.27Å; F377-L382 HydrophobicContact CE2-CD1 3.83Å; L382-F384 HydrophobicContact CD1-CD2 3.78Å; L382-F384 HydrophobicContact CD1-CE2 4.06Å; L382-F384 HydrophobicContact CD2-CD2 4.26Å; L382-F384 HydrophobicContact CG-CD2 3.87Å; L382-P385 WeakPolarHBondContact O-CD 3.3Å; L382-Y394 HydrophobicContact CD2-CD2 4.48Å; L382-W399 HydrophobicContact CD1-CB 4.44Å; L382-W399 HydrophobicContact CD1-CD2 3.78Å; L382-W399 HydrophobicContact CD1-CE3 3.57Å; L382-W399 HydrophobicContact CD1-CG 4.15Å; L382-W399 HydrophobicContact CD1-CZ3 4.16Å; L382-W399 HydrophobicContact CD2-CB 4.11Å; L382-W399 HydrophobicContact CD2-CD2 4.1Å; L382-W399 HydrophobicContact CD2-CG 3.77Å | ||
| 383 | A | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -67.7 | -40 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F280 L352 F377 E381 L386 W390 | F280-A383 HydrophobicContact CZ-CB 4.2Å; L352-A383 HydrophobicContact CD1-CB 3.96Å; L352-A383 HydrophobicContact CD2-CB 4.16Å; F377-A383 HydrophobicContact CB-CB 4.24Å; F377-A383 HydrophobicContact CD1-CB 3.5Å; F377-A383 VanDerWaalsContact CD1-CB 3.5Å; F377-A383 HydrophobicContact CD2-CB 4.29Å; F377-A383 HydrophobicContact CE1-CB 3.87Å; F377-A383 HydrophobicContact CG-CB 3.76Å; F377-A383 HydrophobicContact CZ-CB 4.4Å; E381-A383 PolarHBondContact O-N 3.11Å; A383-L386 VanDerWaalsContact O-CB 3.24Å; A383-L386 WeakPolarHBondContact O-CB 3.25Å; A383-L386 WeakPolarHBondContact O-CG 3.46Å; A383-L386 PolarHBondContact O-N 2.8Å; A383-W390 HydrophobicContact CB-CE3 4.44Å; A383-W390 VanDerWaalsContact O-CE3 3.28Å |
| 384 | F | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -54.1 | -44.1 | -168.9 | -54.7 | -88.8 | 0 | 0 | 0 | 114.9 | M345 L349 L352 W375 F377 L382 L386 W390 Q391 Y394 W399 | M345-F384 HydrophobicContact CE-CE1 3.77Å; M345-F384 HydrophobicContact CE-CZ 3.78Å; L349-F384 HydrophobicContact CD1-CE1 3.71Å; L349-F384 HydrophobicContact CD1-CZ 4.37Å; L349-F384 HydrophobicContact CD2-CD1 4.09Å; L349-F384 HydrophobicContact CD2-CE1 3.77Å; L349-F384 HydrophobicContact CG-CE1 4.4Å; L352-F384 HydrophobicContact CD2-CE1 4.46Å; W375-F384 HydrophobicContact CE3-CZ 4.29Å; W375-F384 HydrophobicContact CH2-CZ 4.24Å; W375-F384 HydrophobicContact CZ3-CZ 4.12Å; F377-F384 HydrophobicContact CE1-CE2 4.32Å; F377-F384 HydrophobicContact CE1-CZ 4.39Å; F377-F384 AromaticContact CE2-CE2 3.85Å; F377-F384 HydrophobicContact CE2-CE2 3.85Å; F377-F384 HydrophobicContact CZ-CD2 4.3Å; F377-F384 AromaticContact CZ-CE2 3.38Å; F377-F384 HydrophobicContact CZ-CE2 3.38Å; F377-F384 AromaticContact CZ-CZ 3.7Å; F377-F384 HydrophobicContact CZ-CZ 3.7Å; L382-F384 HydrophobicContact CD1-CD2 3.78Å; L382-F384 HydrophobicContact CD1-CE2 4.06Å; L382-F384 HydrophobicContact CD2-CD2 4.26Å; L382-F384 HydrophobicContact CG-CD2 3.87Å; F384-L386 PolarHBondContact O-N 3.01Å; F384-W390 WeakPolarHBondContact CD1-O 3.37Å; F384-Q391 VanDerWaalsContact O-CG 3.27Å; F384-Q391 WeakPolarHBondContact O-CG 3.38Å; F384-Y394 HydrophobicContact CB-CD1 3.75Å; F384-Y394 HydrophobicContact CB-CD2 3.71Å; F384-Y394 HydrophobicContact CB-CE1 4.27Å; F384-Y394 HydrophobicContact CB-CE2 4.25Å; F384-Y394 HydrophobicContact CB-CG 3.43Å; F384-Y394 VanDerWaalsContact CB-CG 3.43Å; F384-Y394 HydrophobicContact CD1-CG 4.19Å; F384-Y394 HydrophobicContact CD2-CD2 4.5Å; F384-Y394 HydrophobicContact CD2-CG 4.32Å; F384-Y394 VanDerWaalsContact CG-CB 3.45Å; F384-Y394 HydrophobicContact CG-CD1 4.33Å; F384-Y394 HydrophobicContact CG-CD2 4.22Å; F384-Y394 AromaticContact CG-CG 3.75Å; F384-Y394 HydrophobicContact CG-CG 3.75Å; F384-W399 HydrophobicContact CD2-CH2 4.11Å; F384-W399 AromaticContact CD2-CZ2 3.97Å; F384-W399 HydrophobicContact CD2-CZ2 3.97Å; F384-W399 HydrophobicContact CE2-CE3 4.3Å; F384-W399 AromaticContact CE2-CH2 3.12Å; F384-W399 HydrophobicContact CE2-CH2 3.12Å; F384-W399 AromaticContact CE2-CZ2 3.37Å; F384-W399 HydrophobicContact CE2-CZ2 3.37Å; F384-W399 AromaticContact CE2-CZ3 3.6Å; F384-W399 HydrophobicContact CE2-CZ3 3.6Å; F384-W399 AromaticContact CZ-CH2 3.47Å; F384-W399 HydrophobicContact CZ-CH2 3.47Å; F384-W399 VanDerWaalsContact CZ-CH2 3.47Å; F384-W399 AromaticContact CZ-CZ2 3.81Å; F384-W399 HydrophobicContact CZ-CZ2 3.81Å; F384-W399 HydrophobicContact CZ-CZ3 4.27Å |
| 385 | P | 87.8 | Confident | 88 | Confident | 64 Ų | 64 | 45 Ų | 45 | 42% | 0.416 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -68.3 | -17.6 | 177.7 | -22.4 | 36.4 | 0 | 0 | 0 | 114.8 | L382 S387 Y394 | L382-P385 WeakPolarHBondContact O-CD 3.3Å; P385-S387 VanDerWaalsContact C-N 3.29Å; P385-S387 PolarHBondContact O-N 2.99Å; P385-Y394 HydrophobicContact CG-CE2 4.17Å |
| 386 | L | 85.7 | Confident | 87.6 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -74.1 | -18.8 | -173.5 | -56.1 | 179.7 | 0 | 0 | 0 | 113.7 | P279 F280 E381 A383 F384 W390 | P279-L386 HydrophobicContact CB-CB 4.08Å; F280-L386 HydrophobicContact CD1-CD1 4.38Å; F280-L386 HydrophobicContact CE1-CD1 3.48Å; F280-L386 VanDerWaalsContact CE1-CD1 3.48Å; F280-L386 HydrophobicContact CZ-CD1 3.9Å; E381-L386 HydrophobicContact CB-CD2 4.49Å; E381-L386 WeakPolarHBondContact OE2-CD2 3.43Å; A383-L386 VanDerWaalsContact O-CB 3.24Å; A383-L386 WeakPolarHBondContact O-CB 3.25Å; A383-L386 WeakPolarHBondContact O-CG 3.46Å; A383-L386 PolarHBondContact O-N 2.8Å; F384-L386 PolarHBondContact O-N 3.01Å; L386-W390 HydrophobicContact CB-CE3 4.29Å; L386-W390 HydrophobicContact CB-CZ3 3.95Å |
| 387 | S | 82.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | trans | -142.7 | 130.9 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110.6 | P385 D389 W390 Q391 | P385-S387 VanDerWaalsContact C-N 3.29Å; P385-S387 PolarHBondContact O-N 2.99Å; S387-D389 PolarHBondContact O-N 3Å; S387-D389 VanDerWaalsContact O-N 3.15Å; S387-D389 PolarHBondContact OG-N 3.46Å; S387-W390 VanDerWaalsContact CB-CE3 3.41Å; S387-W390 PolarHBondContact O-N 2.98Å; S387-Q391 PolarHBondContact O-N 3.42Å | ||
| 388 | P | 77.7 | Confident | 87.4 | Confident | 105 Ų | 105 | 49.4 Ų | 49.4 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -54.8 | -31 | 171.4 | -25.3 | 34.4 | 0 | 0 | 0 | 113.1 | W390 Q391 | P388-W390 PolarHBondContact O-N 3.06Å; P388-Q391 PolarHBondContact O-N 2.92Å |
| 389 | D | 76.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -69.8 | -18.1 | 178.4 | -72.6 | -5.1 | 0 | 0 | 0 | 112.9 | K351 S387 | K351-D389 HydrophobicContact CD-CB 4.29Å; K351-D389 IonicContact NZ-OD2 2.74Å; K351-D389 PolarHBondContact NZ-OD2 2.59Å; S387-D389 PolarHBondContact O-N 3Å; S387-D389 VanDerWaalsContact O-N 3.15Å; S387-D389 PolarHBondContact OG-N 3.46Å |
| 390 | W | 85.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -100.4 | -8.9 | -179 | -55.2 | -22.6 | 0 | 0 | 0 | 112.3 | P279 F280 L349 L352 A383 F384 L386 S387 P388 V392 | P279-W390 HydrophobicContact CB-CH2 4.01Å; P279-W390 HydrophobicContact CB-CZ3 4.11Å; P279-W390 HydrophobicContact CG-CH2 3.46Å; P279-W390 VanDerWaalsContact CG-CH2 3.46Å; P279-W390 HydrophobicContact CG-CZ2 4.19Å; P279-W390 HydrophobicContact CG-CZ3 3.8Å; F280-W390 AromaticContact CD2-CH2 3.88Å; F280-W390 HydrophobicContact CD2-CH2 3.88Å; F280-W390 HydrophobicContact CD2-CZ3 4.47Å; F280-W390 AromaticContact CE2-CH2 3.25Å; F280-W390 HydrophobicContact CE2-CH2 3.25Å; F280-W390 HydrophobicContact CE2-CZ2 4.27Å; F280-W390 AromaticContact CE2-CZ3 3.55Å; F280-W390 HydrophobicContact CE2-CZ3 3.55Å; F280-W390 AromaticContact CZ-CH2 3.91Å; F280-W390 HydrophobicContact CZ-CH2 3.91Å; F280-W390 AromaticContact CZ-CZ3 3.7Å; F280-W390 HydrophobicContact CZ-CZ3 3.7Å; L349-W390 HydrophobicContact CD2-CB 4.43Å; L349-W390 WeakPolarHBondContact CD2-O 3.28Å; L352-W390 HydrophobicContact CB-CD2 4.43Å; L352-W390 HydrophobicContact CB-CG 4.27Å; L352-W390 HydrophobicContact CD1-CD2 3.89Å; L352-W390 HydrophobicContact CD1-CE3 4.01Å; L352-W390 HydrophobicContact CD1-CG 4.47Å; L352-W390 HydrophobicContact CD1-CH2 4.24Å; L352-W390 HydrophobicContact CD1-CZ2 4.15Å; L352-W390 HydrophobicContact CD1-CZ3 4.17Å; A383-W390 HydrophobicContact CB-CE3 4.44Å; A383-W390 VanDerWaalsContact O-CE3 3.28Å; F384-W390 WeakPolarHBondContact CD1-O 3.37Å; L386-W390 HydrophobicContact CB-CE3 4.29Å; L386-W390 HydrophobicContact CB-CZ3 3.95Å; S387-W390 VanDerWaalsContact CB-CE3 3.41Å; S387-W390 PolarHBondContact O-N 2.98Å; P388-W390 PolarHBondContact O-N 3.06Å; W390-V392 PolarHBondContact O-N 3.33Å |
| 391 | Q | 84.8 | Confident | 88 | Confident | 99 Ų | 99 | 56 Ų | 56 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | trans | -72.7 | 64.1 | -179 | -68.6 | -179.4 | 7.5 | 0 | 0 | 112.1 | F384 S387 P388 Y394 | F384-Q391 VanDerWaalsContact O-CG 3.27Å; F384-Q391 WeakPolarHBondContact O-CG 3.38Å; S387-Q391 PolarHBondContact O-N 3.42Å; P388-Q391 PolarHBondContact O-N 2.92Å; Q391-Y394 HydrophobicContact CB-CD1 4.28Å; Q391-Y394 HydrophobicContact CB-CE1 3.77Å; Q391-Y394 HydrophobicContact CG-CE1 3.8Å | ||
| 392 | V | 81.7 | Confident | 88.3 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -114.3 | 110.4 | -174.7 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | M345 R348 L349 W390 Y394 | M345-V392 HydrophobicContact CG-CG1 4.45Å; R348-V392 HydrophobicContact CB-CB 4.35Å; R348-V392 HydrophobicContact CB-CG1 3.53Å; R348-V392 HydrophobicContact CB-CG2 3.97Å; R348-V392 HydrophobicContact CG-CG1 4.32Å; L349-V392 HydrophobicContact CD2-CB 3.98Å; L349-V392 HydrophobicContact CD2-CG2 4.16Å; L349-V392 HydrophobicContact CG-CB 4.3Å; W390-V392 PolarHBondContact O-N 3.33Å; V392-Y394 PolarHBondContact O-N 3.32Å |
| 393 | D | 81.7 | Confident | 88.4 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 53.6 | 0.1 | 173.9 | -47.2 | -46.6 | 0 | 0 | 0 | 116.5 | R348 E395 S396 Y397 | R348-D393 IonicContact CZ-OD2 2.78Å; R348-D393 IonicContact NE-OD2 3.47Å; R348-D393 IonicContact NH2-OD1 3.13Å; R348-D393 IonicContact NH2-OD2 2.66Å; R348-D393 PolarHBondContact NH2-OD2 3.16Å; D393-E395 PolarHBondContact O-N 2.99Å; D393-E395 VanDerWaalsContact O-N 3.13Å; D393-S396 VanDerWaalsContact O-CB 3.31Å; D393-S396 WeakPolarHBondContact O-CB 3.27Å; D393-S396 PolarHBondContact O-N 3.5Å; D393-Y397 WeakPolarHBondContact O-CD2 3.48Å |
| 394 | Y | 89.2 | Confident | 88.4 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -63.5 | -25.8 | -171.9 | 80.5 | -80.3 | 0 | 0 | 0 | 112.4 | L382 F384 P385 Q391 V392 S396 Y397 W399 | L382-Y394 HydrophobicContact CD2-CD2 4.48Å; F384-Y394 HydrophobicContact CB-CD1 3.75Å; F384-Y394 HydrophobicContact CB-CD2 3.71Å; F384-Y394 HydrophobicContact CB-CE1 4.27Å; F384-Y394 HydrophobicContact CB-CE2 4.25Å; F384-Y394 HydrophobicContact CB-CG 3.43Å; F384-Y394 VanDerWaalsContact CB-CG 3.43Å; F384-Y394 HydrophobicContact CD1-CG 4.19Å; F384-Y394 HydrophobicContact CD2-CD2 4.5Å; F384-Y394 HydrophobicContact CD2-CG 4.32Å; F384-Y394 VanDerWaalsContact CG-CB 3.45Å; F384-Y394 HydrophobicContact CG-CD1 4.33Å; F384-Y394 HydrophobicContact CG-CD2 4.22Å; F384-Y394 AromaticContact CG-CG 3.75Å; F384-Y394 HydrophobicContact CG-CG 3.75Å; P385-Y394 HydrophobicContact CG-CE2 4.17Å; Q391-Y394 HydrophobicContact CB-CD1 4.28Å; Q391-Y394 HydrophobicContact CB-CE1 3.77Å; Q391-Y394 HydrophobicContact CG-CE1 3.8Å; V392-Y394 PolarHBondContact O-N 3.32Å; Y394-S396 PolarHBondContact O-N 3.06Å; Y394-Y397 PolarHBondContact O-N 2.88Å; Y394-Y397 VanDerWaalsContact O-N 3.1Å; Y394-W399 PolarHBondContact O-NE1 3.35Å |
| 395 | E | 88.6 | Confident | 88.4 | Confident | 137 Ų | 137 | 58.3 Ų | 58.3 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -66.8 | -25.7 | 176 | -60.3 | -174 | 143.1 | 0 | 0 | 112.8 | R327 D393 Y397 | R327-E395 PolarHBondContact NE-O 3.43Å; D393-E395 PolarHBondContact O-N 2.99Å; D393-E395 VanDerWaalsContact O-N 3.13Å; E395-Y397 PolarHBondContact O-N 3.43Å |
| 396 | S | 89.6 | Confident | 88.7 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -73.3 | -2.2 | 173.7 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | Y326 R327 D393 Y394 | Y326-S396 WeakPolarHBondContact CD2-O 3.44Å; R327-S396 WeakPolarHBondContact CB-O 3.5Å; R327-S396 WeakPolarHBondContact CG-O 3.41Å; R327-S396 PolarHBondContact N-O 3.23Å; D393-S396 VanDerWaalsContact O-CB 3.31Å; D393-S396 WeakPolarHBondContact O-CB 3.27Å; D393-S396 PolarHBondContact O-N 3.5Å; Y394-S396 PolarHBondContact O-N 3.06Å |
| 397 | Y | 93.8 | Very high | 89 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.7 | 177.2 | -63.7 | -97.8 | 0 | 0 | 0 | 111.2 | E325 Y326 R327 L341 M345 I371 D393 Y394 E395 W399 | E325-Y397 CarbonylContact O-C 3.14Å; E325-Y397 WeakPolarHBondContact O-CA 3.33Å; Y326-Y397 HydrophobicContact CD2-CD1 4.21Å; Y326-Y397 HydrophobicContact CD2-CD2 4.29Å; Y326-Y397 AromaticContact CD2-CE1 3.76Å; Y326-Y397 HydrophobicContact CD2-CE1 3.76Å; Y326-Y397 AromaticContact CD2-CE2 3.86Å; Y326-Y397 HydrophobicContact CD2-CE2 3.86Å; Y326-Y397 HydrophobicContact CD2-CG 4.45Å; Y326-Y397 AromaticContact CD2-CZ 3.57Å; Y326-Y397 HydrophobicContact CE2-CE2 4.36Å; Y326-Y397 HydrophobicContact CG-CE1 4.24Å; R327-Y397 VanDerWaalsContact NE-C 3.27Å; R327-Y397 PolarHBondContact NE-O 3.07Å; R327-Y397 PolarHBondContact NH2-O 3.43Å; L341-Y397 WeakPolarHBondContact CD2-OH 3.4Å; M345-Y397 HydrophobicContact SD-CE2 3.92Å; I371-Y397 HydrophobicContact CG2-CE1 4.05Å; D393-Y397 WeakPolarHBondContact O-CD2 3.48Å; Y394-Y397 PolarHBondContact O-N 2.88Å; Y394-Y397 VanDerWaalsContact O-N 3.1Å; E395-Y397 PolarHBondContact O-N 3.43Å; Y397-W399 HydrophobicContact CG-CZ2 4.35Å |
| 398 | T | 93.6 | Very high | 89.6 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 143 | 159.2 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | S324 E325 R327 | S324-T398 VanDerWaalsContact CA-O 3.25Å; S324-T398 WeakPolarHBondContact CA-O 3.42Å; E325-T398 PolarHBondContact N-O 2.97Å; E325-T398 PolarHBondContact O-N 2.94Å; E325-T398 PolarHBondContact O-OG1 3.28Å; R327-T398 HydrophobicContact CG-CG2 3.89Å |
| 399 | W | 95.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 60.6 Ų | 60.6 | 17% | 0.17 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.7 | -177.8 | -63.6 | 90.1 | 0 | 0 | 0 | 109.4 | W322 Y323 W375 F377 L382 F384 Y394 Y397 | W322-W399 HydrophobicContact CB-CE3 4.31Å; W322-W399 HydrophobicContact CE3-CB 4.06Å; W322-W399 HydrophobicContact CZ3-CB 4.25Å; Y323-W399 WeakPolarHBondContact O-CA 3.39Å; W375-W399 HydrophobicContact CB-CZ3 4.46Å; W375-W399 AromaticContact CD1-CH2 3.99Å; W375-W399 AromaticContact CD1-CZ3 3.55Å; W375-W399 HydrophobicContact CD2-CH2 4.21Å; W375-W399 HydrophobicContact CD2-CZ3 4.19Å; W375-W399 AromaticContact CE2-CH2 3.85Å; W375-W399 HydrophobicContact CG-CH2 4.32Å; W375-W399 AromaticContact CG-CZ3 3.84Å; W375-W399 HydrophobicContact CG-CZ3 3.84Å; W375-W399 HydrophobicContact CZ2-CH2 4.36Å; W375-W399 AromaticContact NE1-CH2 3.67Å; W375-W399 AromaticContact NE1-CZ3 3.73Å; F377-W399 HydrophobicContact CE2-CZ3 4.15Å; F377-W399 HydrophobicContact CZ-CZ3 4.42Å; L382-W399 HydrophobicContact CD1-CB 4.44Å; L382-W399 HydrophobicContact CD1-CD2 3.78Å; L382-W399 HydrophobicContact CD1-CE3 3.57Å; L382-W399 HydrophobicContact CD1-CG 4.15Å; L382-W399 HydrophobicContact CD1-CZ3 4.16Å; L382-W399 HydrophobicContact CD2-CB 4.11Å; L382-W399 HydrophobicContact CD2-CD2 4.1Å; L382-W399 HydrophobicContact CD2-CG 3.77Å; F384-W399 HydrophobicContact CD2-CH2 4.11Å; F384-W399 AromaticContact CD2-CZ2 3.97Å; F384-W399 HydrophobicContact CD2-CZ2 3.97Å; F384-W399 HydrophobicContact CE2-CE3 4.3Å; F384-W399 AromaticContact CE2-CH2 3.12Å; F384-W399 HydrophobicContact CE2-CH2 3.12Å; F384-W399 AromaticContact CE2-CZ2 3.37Å; F384-W399 HydrophobicContact CE2-CZ2 3.37Å; F384-W399 AromaticContact CE2-CZ3 3.6Å; F384-W399 HydrophobicContact CE2-CZ3 3.6Å; F384-W399 AromaticContact CZ-CH2 3.47Å; F384-W399 HydrophobicContact CZ-CH2 3.47Å; F384-W399 VanDerWaalsContact CZ-CH2 3.47Å; F384-W399 AromaticContact CZ-CZ2 3.81Å; F384-W399 HydrophobicContact CZ-CZ2 3.81Å; F384-W399 HydrophobicContact CZ-CZ3 4.27Å; Y394-W399 PolarHBondContact O-NE1 3.35Å; Y397-W399 HydrophobicContact CG-CZ2 4.35Å |
| 400 | R | 95.4 | Very high | 91.1 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121 | 174.6 | 179.2 | 172.7 | 63.6 | 139.5 | -0.3 | 109 | W322 Y323 L402 E408 | W322-R400 CarbonylContact C-O 3.57Å; W322-R400 WeakPolarHBondContact CA-O 3.31Å; Y323-R400 PolarHBondContact N-O 3.42Å; Y323-R400 PolarHBondContact O-N 2.88Å; R400-L402 PolarHBondContact O-N 3.12Å; R400-E408 IonicContact CZ-OE1 2.68Å; R400-E408 IonicContact NH1-OE1 3.32Å; R400-E408 PolarHBondContact NH1-OE1 3.04Å; R400-E408 IonicContact NH1-OE2 3.6Å; R400-E408 PolarHBondContact NH1-OE2 3.01Å; R400-E408 IonicContact NH2-OE1 2.8Å; R400-E408 PolarHBondContact NH2-OE1 3.1Å |
| 401 | K | 96.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131 | 171.2 | -167.7 | 174.5 | 179 | 177 | 0 | 108.9 | W322 Q380 | W322-K401 HydrophobicContact CD2-CB 4.11Å; W322-K401 HydrophobicContact CD2-CG 4.34Å; W322-K401 HydrophobicContact CE3-CB 3.97Å; W322-K401 HydrophobicContact CH2-CB 3.81Å; W322-K401 HydrophobicContact CH2-CD 4.34Å; W322-K401 HydrophobicContact CH2-CG 4.32Å; W322-K401 HydrophobicContact CZ2-CB 3.93Å; W322-K401 HydrophobicContact CZ2-CD 3.88Å; W322-K401 HydrophobicContact CZ2-CG 3.94Å; W322-K401 HydrophobicContact CZ3-CB 3.83Å; Q380-K401 WeakPolarHBondContact O-CE 3.19Å; Q380-K401 PolarHBondContact O-NZ 2.78Å |
| 402 | L | 95.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.5 | -179.7 | -65 | 179 | 0 | 0 | 0 | 109.9 | L321 R400 P404 T409 L412 | L321-L402 HydrophobicContact CB-CB 3.86Å; L321-L402 HydrophobicContact CB-CD1 4.39Å; L321-L402 PolarHBondContact O-N 2.86Å; R400-L402 PolarHBondContact O-N 3.12Å; L402-P404 WeakPolarHBondContact O-CD 3.39Å; L402-T409 HydrophobicContact CB-CG2 3.82Å; L402-T409 HydrophobicContact CD1-CG2 4.17Å; L402-L412 HydrophobicContact CD1-CD1 4.12Å; L402-L412 HydrophobicContact CD2-CD1 3.94Å |
| 403 | D | 93.5 | Very high | 92.7 | Very high | 105 Ų | 105 | 59 Ų | 59 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | trans | -86.8 | 114.4 | 172.5 | 178.2 | 6.2 | 0 | 0 | 0 | 109.4 | G405 S406 T409 | D403-G405 PolarHBondContact O-N 3.3Å; D403-G405 PolarHBondContact OD1-N 2.9Å; D403-S406 PolarHBondContact O-N 3.31Å; D403-S406 PolarHBondContact O-OG 2.8Å; D403-T409 PolarHBondContact N-OG1 3.31Å; D403-T409 WeakPolarHBondContact O-CB 3.21Å; D403-T409 PolarHBondContact O-OG1 2.84Å | ||
| 404 | P | 91.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.3 | 179.1 | -24 | 34.5 | 0 | 0 | 0 | 114.3 | W311 F314 K316 L321 L402 | W311-P404 HydrophobicContact CZ3-CB 4.21Å; F314-P404 HydrophobicContact CD1-CB 4.4Å; F314-P404 HydrophobicContact CE1-CB 4.06Å; F314-P404 HydrophobicContact CE1-CG 3.79Å; K316-P404 HydrophobicContact CB-CG 4.49Å; L321-P404 HydrophobicContact CD1-CB 4.46Å; L321-P404 HydrophobicContact CD1-CG 4.41Å; L402-P404 WeakPolarHBondContact O-CD 3.39Å |
| 405 | G | 90 | Very high | 93.6 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 63% | 0.629 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D403 | D403-G405 PolarHBondContact O-N 3.3Å; D403-G405 PolarHBondContact OD1-N 2.9Å |
| 406 | S | 93.7 | Very high | 94 | Very high | 31 Ų | 31 | 56 Ų | 56 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -87 | 144.8 | -174.8 | 81 | 0 | 0 | 0 | 0 | 112.8 | D403 E408 T409 Q410 | D403-S406 PolarHBondContact O-N 3.31Å; D403-S406 PolarHBondContact O-OG 2.8Å; S406-E408 PolarHBondContact O-N 3.44Å; S406-T409 PolarHBondContact O-N 3.03Å; S406-T409 VanDerWaalsContact O-N 3.15Å; S406-T409 WeakPolarHBondContact OG-CB 3.21Å; S406-T409 PolarHBondContact OG-N 3.25Å; S406-T409 VanDerWaalsContact OG-N 3.14Å; S406-T409 PolarHBondContact OG-OG1 2.64Å; S406-Q410 PolarHBondContact O-N 3.33Å; S406-Q410 VanDerWaalsContact O-N 3.09Å |
| 407 | E | 92.9 | Very high | 94.2 | Very high | 164 Ų | 164 | 54.5 Ų | 54.5 | 77% | 0.766 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.7 | -33 | 174.3 | -68.6 | -173.2 | 168.4 | 0 | 0 | 112.1 | Q410 T411 | E407-Q410 PolarHBondContact O-N 3.37Å; E407-T411 WeakPolarHBondContact O-CB 3.48Å; E407-T411 PolarHBondContact O-N 3.47Å; E407-T411 PolarHBondContact O-OG1 2.82Å |
| 408 | E | 94.2 | Very high | 94.2 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 174 | -175.9 | -171.9 | -177.2 | 0 | 0 | 110.6 | R400 S406 T411 L412 | R400-E408 IonicContact CZ-OE1 2.68Å; R400-E408 IonicContact NH1-OE1 3.32Å; R400-E408 PolarHBondContact NH1-OE1 3.04Å; R400-E408 IonicContact NH1-OE2 3.6Å; R400-E408 PolarHBondContact NH1-OE2 3.01Å; R400-E408 IonicContact NH2-OE1 2.8Å; R400-E408 PolarHBondContact NH2-OE1 3.1Å; S406-E408 PolarHBondContact O-N 3.44Å; E408-T411 PolarHBondContact O-N 3.05Å; E408-L412 HydrophobicContact CG-CD1 4.11Å; E408-L412 WeakPolarHBondContact O-CB 3.3Å; E408-L412 WeakPolarHBondContact O-CG 3.13Å; E408-L412 PolarHBondContact O-N 2.81Å |
| 409 | T | 94.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | W311 L321 L402 D403 S406 T411 L412 V413 | W311-T409 HydrophobicContact CH2-CG2 4.19Å; L321-T409 HydrophobicContact CD1-CG2 3.52Å; L402-T409 HydrophobicContact CB-CG2 3.82Å; L402-T409 HydrophobicContact CD1-CG2 4.17Å; D403-T409 PolarHBondContact N-OG1 3.31Å; D403-T409 WeakPolarHBondContact O-CB 3.21Å; D403-T409 PolarHBondContact O-OG1 2.84Å; S406-T409 PolarHBondContact O-N 3.03Å; S406-T409 VanDerWaalsContact O-N 3.15Å; S406-T409 WeakPolarHBondContact OG-CB 3.21Å; S406-T409 PolarHBondContact OG-N 3.25Å; S406-T409 VanDerWaalsContact OG-N 3.14Å; S406-T409 PolarHBondContact OG-OG1 2.64Å; T409-T411 VanDerWaalsContact C-N 3.29Å; T409-T411 PolarHBondContact O-N 3.47Å; T409-L412 PolarHBondContact O-N 2.89Å; T409-V413 HydrophobicContact CG2-CG2 4.15Å; T409-V413 WeakPolarHBondContact O-CB 3.2Å; T409-V413 VanDerWaalsContact O-CG2 3.26Å; T409-V413 WeakPolarHBondContact O-CG2 3.13Å; T409-V413 PolarHBondContact O-N 2.6Å |
| 410 | Q | 93.4 | Very high | 93.8 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 176.4 | -68.9 | -177.2 | 12.6 | 0 | 0 | 111.7 | W311 S406 E407 R414 | W311-Q410 HydrophobicContact CH2-CG 4.33Å; W311-Q410 HydrophobicContact CZ2-CB 4.5Å; W311-Q410 HydrophobicContact CZ2-CG 4.11Å; S406-Q410 PolarHBondContact O-N 3.33Å; S406-Q410 VanDerWaalsContact O-N 3.09Å; E407-Q410 PolarHBondContact O-N 3.37Å; Q410-R414 VanDerWaalsContact O-CB 3.25Å; Q410-R414 WeakPolarHBondContact O-CB 3.41Å; Q410-R414 PolarHBondContact O-N 2.79Å |
| 411 | T | 94.3 | Very high | 93.4 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -51 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | E407 E408 T409 V413 R414 E415 | E407-T411 WeakPolarHBondContact O-CB 3.48Å; E407-T411 PolarHBondContact O-N 3.47Å; E407-T411 PolarHBondContact O-OG1 2.82Å; E408-T411 PolarHBondContact O-N 3.05Å; T409-T411 VanDerWaalsContact C-N 3.29Å; T409-T411 PolarHBondContact O-N 3.47Å; T411-V413 PolarHBondContact O-N 3.23Å; T411-R414 PolarHBondContact O-N 2.94Å; T411-E415 HydrophobicContact CG2-CG 4.24Å; T411-E415 WeakPolarHBondContact O-CB 3.26Å; T411-E415 WeakPolarHBondContact O-CG 3.39Å; T411-E415 PolarHBondContact O-N 3.07Å |
| 412 | L | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 178.7 | -74.4 | 174.4 | 0 | 0 | 0 | 112 | Y323 V374 L402 E408 T409 R414 E415 Y416 H425 | Y323-L412 HydrophobicContact CD2-CD1 4.19Å; Y323-L412 HydrophobicContact CD2-CD2 4.38Å; Y323-L412 HydrophobicContact CE2-CD2 4.17Å; V374-L412 HydrophobicContact CG2-CB 4.23Å; L402-L412 HydrophobicContact CD1-CD1 4.12Å; L402-L412 HydrophobicContact CD2-CD1 3.94Å; E408-L412 HydrophobicContact CG-CD1 4.11Å; E408-L412 WeakPolarHBondContact O-CB 3.3Å; E408-L412 WeakPolarHBondContact O-CG 3.13Å; E408-L412 PolarHBondContact O-N 2.81Å; T409-L412 PolarHBondContact O-N 2.89Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.44Å; L412-E415 PolarHBondContact O-N 3.35Å; L412-Y416 HydrophobicContact CD2-CD2 4.32Å; L412-Y416 HydrophobicContact CD2-CE2 3.87Å; L412-Y416 VanDerWaalsContact O-CB 3.32Å; L412-Y416 WeakPolarHBondContact O-CB 3.24Å; L412-Y416 VanDerWaalsContact O-CD2 3.24Å; L412-Y416 WeakPolarHBondContact O-CD2 3.4Å; L412-Y416 PolarHBondContact O-N 2.88Å; L412-H425 VanDerWaalsContact CD2-CE1 3.45Å; L412-H425 WeakPolarHBondContact CD2-CE1 3.31Å; L412-H425 WeakPolarHBondContact CD2-NE2 3.5Å |
| 413 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.6 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L307 F310 W311 L321 V374 T409 T411 F417 | L307-V413 HydrophobicContact CD2-CG1 3.78Å; F310-V413 HydrophobicContact CD1-CG1 4.31Å; F310-V413 HydrophobicContact CE1-CG1 4.18Å; W311-V413 HydrophobicContact CH2-CG2 4.14Å; W311-V413 HydrophobicContact CZ2-CB 3.71Å; W311-V413 HydrophobicContact CZ2-CG1 3.74Å; W311-V413 HydrophobicContact CZ2-CG2 3.83Å; L321-V413 HydrophobicContact CD1-CG2 3.93Å; L321-V413 HydrophobicContact CD2-CG2 4.31Å; V374-V413 HydrophobicContact CG1-CG2 4.04Å; T409-V413 HydrophobicContact CG2-CG2 4.15Å; T409-V413 WeakPolarHBondContact O-CB 3.2Å; T409-V413 VanDerWaalsContact O-CG2 3.26Å; T409-V413 WeakPolarHBondContact O-CG2 3.13Å; T409-V413 PolarHBondContact O-N 2.6Å; T411-V413 PolarHBondContact O-N 3.23Å; V413-F417 HydrophobicContact CG1-CD2 3.81Å; V413-F417 HydrophobicContact CG1-CE2 3.82Å; V413-F417 HydrophobicContact CG1-CG 4.16Å; V413-F417 HydrophobicContact CG1-CZ 4.18Å; V413-F417 WeakPolarHBondContact O-CB 3.5Å; V413-F417 VanDerWaalsContact O-CG 3.3Å; V413-F417 WeakPolarHBondContact O-CG 3.44Å; V413-F417 PolarHBondContact O-N 3.27Å |
| 414 | R | 94.5 | Very high | 92.3 | Very high | 151 Ų | 151 | 59.1 Ų | 59.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.8 | -57.6 | 177.4 | 178.9 | -177.3 | 174.2 | -157.6 | -2.3 | 110.7 | L303 L307 Q410 T411 L412 Y416 F417 S418 | L303-R414 HydrophobicContact CD2-CG 4.12Å; L307-R414 HydrophobicContact CD1-CB 4.27Å; L307-R414 HydrophobicContact CD1-CG 4.05Å; Q410-R414 VanDerWaalsContact O-CB 3.25Å; Q410-R414 WeakPolarHBondContact O-CB 3.41Å; Q410-R414 PolarHBondContact O-N 2.79Å; T411-R414 PolarHBondContact O-N 2.94Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.44Å; R414-Y416 PolarHBondContact O-N 3.24Å; R414-F417 PolarHBondContact O-N 2.85Å; R414-S418 WeakPolarHBondContact O-CB 3.26Å; R414-S418 PolarHBondContact O-N 3.45Å; R414-S418 PolarHBondContact O-OG 2.86Å |
| 415 | E | 94.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | -174.9 | -66.9 | -167.6 | 142.8 | 0 | 0 | 112.3 | T411 L412 W419 E420 G421 A422 F423 H425 | T411-E415 HydrophobicContact CG2-CG 4.24Å; T411-E415 WeakPolarHBondContact O-CB 3.26Å; T411-E415 WeakPolarHBondContact O-CG 3.39Å; T411-E415 PolarHBondContact O-N 3.07Å; L412-E415 PolarHBondContact O-N 3.35Å; E415-W419 WeakPolarHBondContact O-CA 3.4Å; E415-W419 PolarHBondContact O-N 3.42Å; E415-E420 WeakPolarHBondContact CA-O 3.4Å; E415-E420 PolarHBondContact O-N 3.27Å; E415-G421 VanDerWaalsContact OE1-CA 3.3Å; E415-G421 WeakPolarHBondContact OE1-CA 3.31Å; E415-A422 PolarHBondContact OE1-N 3.01Å; E415-F423 HydrophobicContact CB-CD1 4.02Å; E415-F423 HydrophobicContact CB-CE1 3.66Å; E415-F423 HydrophobicContact CB-CZ 4.31Å; E415-F423 PolarHBondContact OE1-N 3.05Å; E415-F423 VanDerWaalsContact OE1-N 3.11Å; E415-F423 WeakPolarHBondContact OE2-CA 3.34Å; E415-F423 PolarHBondContact OE2-N 2.85Å; E415-H425 IonicContact OE2-CE1 3.93Å; E415-H425 PolarHBondContact OE2-CE1 3.45Å; E415-H425 IonicContact OE2-ND1 3.19Å |
| 416 | Y | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.6 | -34.9 | -179.7 | -83.1 | -100.5 | 0 | 0 | 0 | 112.6 | Y323 S359 I361 F363 S372 V374 L412 R414 W419 F423 H425 | Y323-Y416 HydrophobicContact CE2-CE2 4.04Å; Y323-Y416 AromaticContact CE2-CZ 3.84Å; Y323-Y416 WeakPolarHBondContact CE2-OH 3.45Å; Y323-Y416 PolarHBondContact OH-OH 3.42Å; S359-Y416 WeakPolarHBondContact CB-O 3.32Å; S359-Y416 PolarHBondContact OG-O 3.12Å; I361-Y416 HydrophobicContact CB-CD1 4.42Å; I361-Y416 HydrophobicContact CB-CE1 4.17Å; I361-Y416 HydrophobicContact CD1-CD1 3.54Å; I361-Y416 HydrophobicContact CD1-CE1 3.91Å; I361-Y416 HydrophobicContact CD1-CG 4.03Å; I361-Y416 HydrophobicContact CG1-CD1 3.84Å; I361-Y416 HydrophobicContact CG1-CE1 4.1Å; F363-Y416 HydrophobicContact CE2-CE1 4.16Å; F363-Y416 HydrophobicContact CZ-CE1 4.26Å; S372-Y416 VanDerWaalsContact CB-OH 3.26Å; S372-Y416 WeakPolarHBondContact CB-OH 3.12Å; S372-Y416 WeakPolarHBondContact O-CE1 3.08Å; S372-Y416 PolarHBondContact OG-OH 2.98Å; V374-Y416 HydrophobicContact CB-CG 4.21Å; V374-Y416 HydrophobicContact CG2-CD1 4.09Å; V374-Y416 HydrophobicContact CG2-CD2 3.64Å; V374-Y416 HydrophobicContact CG2-CE2 4.2Å; V374-Y416 HydrophobicContact CG2-CG 3.54Å; L412-Y416 HydrophobicContact CD2-CD2 4.32Å; L412-Y416 HydrophobicContact CD2-CE2 3.87Å; L412-Y416 VanDerWaalsContact O-CB 3.32Å; L412-Y416 WeakPolarHBondContact O-CB 3.24Å; L412-Y416 VanDerWaalsContact O-CD2 3.24Å; L412-Y416 WeakPolarHBondContact O-CD2 3.4Å; L412-Y416 PolarHBondContact O-N 2.88Å; R414-Y416 PolarHBondContact O-N 3.24Å; Y416-W419 PolarHBondContact O-NE1 3.2Å; Y416-F423 HydrophobicContact CE2-CD1 4.47Å; Y416-H425 AromaticContact CE2-CE1 3.91Å; Y416-H425 AromaticContact CE2-NE2 3.4Å; Y416-H425 WeakPolarHBondContact CE2-NE2 3.22Å; Y416-H425 AromaticContact CZ-NE2 3.84Å; Y416-H425 PolarHBondContact OH-NE2 3.46Å |
| 417 | F | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.8 | -33.5 | -177.7 | -74 | 16.8 | 0 | 0 | 0 | 111.1 | F293 Y297 T302 L307 F310 F357 V374 V376 V413 R414 | F293-F417 HydrophobicContact CE1-CE2 4.22Å; F293-F417 AromaticContact CZ-CD2 3.93Å; F293-F417 HydrophobicContact CZ-CD2 3.93Å; F293-F417 AromaticContact CZ-CE2 3.81Å; F293-F417 HydrophobicContact CZ-CE2 3.81Å; Y297-F417 HydrophobicContact CE2-CB 3.97Å; Y297-F417 VanDerWaalsContact CE2-O 3.28Å; Y297-F417 WeakPolarHBondContact CE2-O 3.36Å; Y297-F417 PolarHBondContact OH-O 3.17Å; T302-F417 HydrophobicContact CG2-CB 4.49Å; L307-F417 HydrophobicContact CD2-CB 4.01Å; L307-F417 HydrophobicContact CD2-CD2 3.87Å; L307-F417 HydrophobicContact CD2-CG 4.33Å; F310-F417 HydrophobicContact CD2-CE2 4.45Å; F310-F417 HydrophobicContact CE2-CE2 4.37Å; F310-F417 HydrophobicContact CZ-CE2 4.48Å; F357-F417 HydrophobicContact CD1-CE1 4.15Å; F357-F417 HydrophobicContact CD1-CE2 4.05Å; F357-F417 AromaticContact CD1-CZ 3.69Å; F357-F417 HydrophobicContact CD1-CZ 3.69Å; F357-F417 HydrophobicContact CE1-CD1 4.04Å; F357-F417 AromaticContact CE1-CD2 3.99Å; F357-F417 HydrophobicContact CE1-CD2 3.99Å; F357-F417 AromaticContact CE1-CE1 3.71Å; F357-F417 HydrophobicContact CE1-CE1 3.71Å; F357-F417 AromaticContact CE1-CE2 3.65Å; F357-F417 HydrophobicContact CE1-CE2 3.65Å; F357-F417 HydrophobicContact CE1-CG 4.19Å; F357-F417 AromaticContact CE1-CZ 3.51Å; F357-F417 HydrophobicContact CE1-CZ 3.51Å; V374-F417 HydrophobicContact CB-CE1 4.15Å; V374-F417 HydrophobicContact CG1-CE1 3.85Å; V374-F417 HydrophobicContact CG1-CZ 4.4Å; V376-F417 HydrophobicContact CG2-CE2 4.42Å; V376-F417 HydrophobicContact CG2-CZ 3.71Å; V413-F417 HydrophobicContact CG1-CD2 3.81Å; V413-F417 HydrophobicContact CG1-CE2 3.82Å; V413-F417 HydrophobicContact CG1-CG 4.16Å; V413-F417 HydrophobicContact CG1-CZ 4.18Å; V413-F417 WeakPolarHBondContact O-CB 3.5Å; V413-F417 VanDerWaalsContact O-CG 3.3Å; V413-F417 WeakPolarHBondContact O-CG 3.44Å; V413-F417 PolarHBondContact O-N 3.27Å; R414-F417 PolarHBondContact O-N 2.85Å |
| 418 | S | 93 | Very high | 91.6 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 12% | 0.119 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -83.5 | -18.8 | 173.7 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | R414 E420 | R414-S418 WeakPolarHBondContact O-CB 3.26Å; R414-S418 PolarHBondContact O-N 3.45Å; R414-S418 PolarHBondContact O-OG 2.86Å; S418-E420 PolarHBondContact O-N 3.35Å; S418-E420 WeakPolarHBondContact OG-CB 3.42Å; S418-E420 PolarHBondContact OG-N 2.91Å; S418-E420 VanDerWaalsContact OG-N 3.07Å; S418-E420 PolarHBondContact OG-O 3.1Å |
| 419 | W | 92.5 | Very high | 91.4 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 59.7 | 21.1 | -164.3 | -58.4 | -21.5 | 0 | 0 | 0 | 113.5 | S359 I361 E415 Y416 F430 G433 I435 | S359-W419 PolarHBondContact OG-NE1 3.47Å; I361-W419 HydrophobicContact CD1-CG 4.47Å; E415-W419 WeakPolarHBondContact O-CA 3.4Å; E415-W419 PolarHBondContact O-N 3.42Å; Y416-W419 PolarHBondContact O-NE1 3.2Å; W419-F430 HydrophobicContact CB-CD2 4.45Å; W419-F430 HydrophobicContact CB-CE2 3.68Å; W419-F430 HydrophobicContact CB-CZ 3.94Å; W419-F430 HydrophobicContact CD2-CE2 4.41Å; W419-F430 HydrophobicContact CD2-CZ 4.34Å; W419-F430 HydrophobicContact CE3-CZ 4.38Å; W419-F430 AromaticContact CG-CE2 3.88Å; W419-F430 HydrophobicContact CG-CE2 3.88Å; W419-F430 HydrophobicContact CG-CZ 4.17Å; W419-G433 VanDerWaalsContact CH2-O 3.25Å; W419-G433 WeakPolarHBondContact CH2-O 3.3Å; W419-G433 VanDerWaalsContact CZ2-CA 3.5Å; W419-G433 WeakPolarHBondContact CZ2-O 3.28Å; W419-I435 HydrophobicContact CH2-CG1 4.18Å; W419-I435 HydrophobicContact CZ2-CD1 3.58Å; W419-I435 HydrophobicContact CZ2-CG1 3.57Å |
| 420 | E | 89 | Confident | 91.3 | Very high | 120 Ų | 120 | 59.6 Ų | 59.6 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | trans | -123.2 | 121.8 | -179.7 | -62.9 | -179.5 | -174.6 | 0 | 0 | 109.9 | L303 E415 S418 | L303-E420 WeakPolarHBondContact CD1-OE2 3.33Å; E415-E420 WeakPolarHBondContact CA-O 3.4Å; E415-E420 PolarHBondContact O-N 3.27Å; S418-E420 PolarHBondContact O-N 3.35Å; S418-E420 WeakPolarHBondContact OG-CB 3.42Å; S418-E420 PolarHBondContact OG-N 2.91Å; S418-E420 VanDerWaalsContact OG-N 3.07Å; S418-E420 PolarHBondContact OG-O 3.1Å | ||
| 421 | G | 87 | Confident | 91.2 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 172.4 | 169.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E415 F423 | E415-G421 VanDerWaalsContact OE1-CA 3.3Å; E415-G421 WeakPolarHBondContact OE1-CA 3.31Å; G421-F423 VanDerWaalsContact C-N 3.33Å; G421-F423 VanDerWaalsContact O-CD2 3.28Å; G421-F423 WeakPolarHBondContact O-CD2 3.34Å; G421-F423 WeakPolarHBondContact O-CE2 3.45Å |
| 422 | A | 85.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | trans | -82.1 | -19.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E415 Q424 | E415-A422 PolarHBondContact OE1-N 3.01Å; A422-Q424 HydrophobicContact CB-CG 3.8Å; A422-Q424 PolarHBondContact O-N 2.66Å | ||
| 423 | F | 90.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | trans | 49.7 | 41.5 | -179.8 | -54.7 | -77.3 | 0 | 0 | 0 | 112.3 | I361 F363 E415 Y416 G421 H425 V426 G427 F430 | I361-F423 HydrophobicContact CD1-CE1 3.79Å; I361-F423 HydrophobicContact CD1-CZ 4.05Å; F363-F423 HydrophobicContact CE1-CB 3.78Å; F363-F423 AromaticContact CE1-CD1 3.61Å; F363-F423 HydrophobicContact CE1-CD1 3.61Å; F363-F423 AromaticContact CE1-CD2 3.8Å; F363-F423 HydrophobicContact CE1-CD2 3.8Å; F363-F423 HydrophobicContact CE1-CE1 4.06Å; F363-F423 HydrophobicContact CE1-CE2 4.24Å; F363-F423 AromaticContact CE1-CG 3.45Å; F363-F423 HydrophobicContact CE1-CG 3.45Å; F363-F423 VanDerWaalsContact CE1-CG 3.45Å; F363-F423 HydrophobicContact CE1-CZ 4.36Å; F363-F423 HydrophobicContact CZ-CB 4.34Å; F363-F423 AromaticContact CZ-CD1 3.61Å; F363-F423 HydrophobicContact CZ-CD1 3.61Å; F363-F423 AromaticContact CZ-CE1 3.96Å; F363-F423 HydrophobicContact CZ-CE1 3.96Å; F363-F423 AromaticContact CZ-CG 3.96Å; F363-F423 HydrophobicContact CZ-CG 3.96Å; E415-F423 HydrophobicContact CB-CD1 4.02Å; E415-F423 HydrophobicContact CB-CE1 3.66Å; E415-F423 HydrophobicContact CB-CZ 4.31Å; E415-F423 PolarHBondContact OE1-N 3.05Å; E415-F423 VanDerWaalsContact OE1-N 3.11Å; E415-F423 WeakPolarHBondContact OE2-CA 3.34Å; E415-F423 PolarHBondContact OE2-N 2.85Å; Y416-F423 HydrophobicContact CE2-CD1 4.47Å; G421-F423 VanDerWaalsContact C-N 3.33Å; G421-F423 VanDerWaalsContact O-CD2 3.28Å; G421-F423 WeakPolarHBondContact O-CD2 3.34Å; G421-F423 WeakPolarHBondContact O-CE2 3.45Å; F423-H425 PolarHBondContact O-N 3.42Å; F423-H425 VanDerWaalsContact O-N 3.1Å; F423-V426 HydrophobicContact CB-CG2 4.38Å; F423-V426 PolarHBondContact O-N 3.09Å; F423-G427 PolarHBondContact O-N 2.88Å; F423-F430 HydrophobicContact CD2-CB 4.43Å; F423-F430 HydrophobicContact CE2-CB 4.02Å; F423-F430 HydrophobicContact CE2-CD2 4.29Å; F423-F430 HydrophobicContact CZ-CD2 4.3Å | ||
| 424 | Q | 87.3 | Confident | 90.9 | Very high | 168 Ų | 168 | 60.6 Ų | 60.6 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.7 | -170.4 | -66.5 | -176.3 | -4.1 | 0 | 0 | 112.4 | A422 V426 | A422-Q424 HydrophobicContact CB-CG 3.8Å; A422-Q424 PolarHBondContact O-N 2.66Å; Q424-V426 VanDerWaalsContact C-N 3.3Å; Q424-V426 PolarHBondContact O-N 3.46Å |
| 425 | H | 87.6 | Confident | 90.8 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 38% | 0.375 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.3 | 177.3 | 57.6 | -73.1 | 0 | 0 | 0 | 114 | Y323 L412 E415 Y416 F423 | Y323-H425 PolarHBondContact OH-CD2 3.21Å; L412-H425 VanDerWaalsContact CD2-CE1 3.45Å; L412-H425 WeakPolarHBondContact CD2-CE1 3.31Å; L412-H425 WeakPolarHBondContact CD2-NE2 3.5Å; E415-H425 IonicContact OE2-CE1 3.93Å; E415-H425 PolarHBondContact OE2-CE1 3.45Å; E415-H425 IonicContact OE2-ND1 3.19Å; Y416-H425 AromaticContact CE2-CE1 3.91Å; Y416-H425 AromaticContact CE2-NE2 3.4Å; Y416-H425 WeakPolarHBondContact CE2-NE2 3.22Å; Y416-H425 AromaticContact CZ-NE2 3.84Å; Y416-H425 PolarHBondContact OH-NE2 3.46Å; F423-H425 PolarHBondContact O-N 3.42Å; F423-H425 VanDerWaalsContact O-N 3.1Å |
| 426 | V | 89 | Confident | 90.7 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -33.8 | 177.5 | -168 | 0 | 0 | 0 | 0 | 111.5 | F363 F423 Q424 K428 | F363-V426 HydrophobicContact CB-CG1 3.98Å; F363-V426 HydrophobicContact CD1-CG1 4.28Å; F363-V426 HydrophobicContact CD2-CB 4.49Å; F363-V426 HydrophobicContact CD2-CG1 3.79Å; F363-V426 HydrophobicContact CD2-CG2 4.21Å; F363-V426 HydrophobicContact CE1-CG2 4.34Å; F363-V426 HydrophobicContact CE2-CG1 4.33Å; F363-V426 HydrophobicContact CE2-CG2 3.91Å; F363-V426 HydrophobicContact CG-CB 4.43Å; F363-V426 HydrophobicContact CG-CG1 3.76Å; F363-V426 HydrophobicContact CZ-CG2 3.97Å; F423-V426 HydrophobicContact CB-CG2 4.38Å; F423-V426 PolarHBondContact O-N 3.09Å; Q424-V426 VanDerWaalsContact C-N 3.3Å; Q424-V426 PolarHBondContact O-N 3.46Å; V426-K428 HydrophobicContact CG1-CB 4.24Å; V426-K428 PolarHBondContact O-N 3.14Å |
| 427 | G | 86.7 | Confident | 90.4 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | trans | 66.6 | 14.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F423 | F423-G427 PolarHBondContact O-N 2.88Š| ||
| 428 | K | 89.3 | Confident | 90.1 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 27% | 0.265 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -127 | 147 | 176.7 | -66 | -171.9 | -171.9 | -177.4 | 0 | 110.2 | F363 S368 S369 V426 | F363-K428 HydrophobicContact CB-CB 3.77Å; F363-K428 WeakPolarHBondContact CD1-O 3.45Å; S368-K428 PolarHBondContact O-NZ 2.96Å; S369-K428 PolarHBondContact O-NZ 3.15Å; V426-K428 HydrophobicContact CG1-CB 4.24Å; V426-K428 PolarHBondContact O-N 3.14Å |
| 429 | A | 89.6 | Confident | 90 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | trans | -63.7 | 145.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F363 G364 N431 | F363-A429 CarbonylContact C-O 3.56Å; F363-A429 VanDerWaalsContact CA-O 3.31Å; F363-A429 WeakPolarHBondContact CA-O 3.49Å; G364-A429 PolarHBondContact N-O 3.42Å; A429-N431 PolarHBondContact O-N 2.68Å | ||
| 430 | F | 93.1 | Very high | 89.8 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 133.5 | 170 | 174 | -91.9 | 0 | 0 | 0 | 110.3 | I361 W419 F423 | I361-F430 HydrophobicContact CD1-CD2 4.32Å; I361-F430 HydrophobicContact CD1-CE2 4.24Å; I361-F430 HydrophobicContact CG1-CE2 4.33Å; I361-F430 HydrophobicContact CG2-CD2 3.52Å; I361-F430 HydrophobicContact CG2-CE2 3.69Å; W419-F430 HydrophobicContact CB-CD2 4.45Å; W419-F430 HydrophobicContact CB-CE2 3.68Å; W419-F430 HydrophobicContact CB-CZ 3.94Å; W419-F430 HydrophobicContact CD2-CE2 4.41Å; W419-F430 HydrophobicContact CD2-CZ 4.34Å; W419-F430 HydrophobicContact CE3-CZ 4.38Å; W419-F430 AromaticContact CG-CE2 3.88Å; W419-F430 HydrophobicContact CG-CE2 3.88Å; W419-F430 HydrophobicContact CG-CZ 4.17Å; F423-F430 HydrophobicContact CD2-CB 4.43Å; F423-F430 HydrophobicContact CE2-CB 4.02Å; F423-F430 HydrophobicContact CE2-CD2 4.29Å; F423-F430 HydrophobicContact CZ-CD2 4.3Å |
| 431 | N | 91.6 | Very high | 89.9 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -62.6 | 173 | -171.6 | -73.1 | 0 | 0 | 0 | 110.5 | L362 G364 A429 | L362-N431 HydrophobicContact CD2-CB 4.37Å; L362-N431 HydrophobicContact CG-CB 4.29Å; L362-N431 WeakPolarHBondContact O-CA 3.35Å; L362-N431 WeakPolarHBondContact O-CB 3.25Å; L362-N431 PolarHBondContact O-N 3.2Å; G364-N431 WeakPolarHBondContact O-CB 3.36Å; G364-N431 PolarHBondContact O-ND2 2.8Å; A429-N431 PolarHBondContact O-N 2.68Å |
| 432 | Q | 91.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 148.6 | 179.7 | 59.9 | -170.8 | -41.1 | 0 | 0 | 111.3 | C339 L362 | C339-Q432 HydrophobicContact CB-CG 4.5Å; C339-Q432 PolarHBondContact SG-OE1 2.81Å; L362-Q432 HydrophobicContact CB-CG 3.93Å; L362-Q432 HydrophobicContact CD2-CG 4.03Å; L362-Q432 PolarHBondContact N-O 2.89Å; L362-Q432 PolarHBondContact O-N 3.32Å |
| 433 | G | 91.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 157.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V360 W419 | V360-G433 CarbonylContact O-C 3.58Å; V360-G433 WeakPolarHBondContact O-CA 3.47Å; W419-G433 VanDerWaalsContact CH2-O 3.25Å; W419-G433 WeakPolarHBondContact CH2-O 3.3Å; W419-G433 VanDerWaalsContact CZ2-CA 3.5Å; W419-G433 WeakPolarHBondContact CZ2-O 3.28Å |
| 434 | K | 93.2 | Very high | 90.4 | Very high | 73 Ų | 73 | 63.3 Ų | 63.3 | 32% | 0.317 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.7 | 171.6 | -64.4 | -67 | -177.4 | -178 | 0 | 109.5 | C339 I342 F346 V360 | C339-K434 WeakPolarHBondContact SG-CE 3.36Å; I342-K434 HydrophobicContact CG2-CB 3.83Å; I342-K434 HydrophobicContact CG2-CG 3.99Å; F346-K434 HydrophobicContact CD2-CB 4.29Å; F346-K434 HydrophobicContact CE2-CB 3.62Å; F346-K434 HydrophobicContact CZ-CB 4.31Å; V360-K434 PolarHBondContact N-O 3.42Å; V360-K434 PolarHBondContact O-N 2.94Å |
| 435 | I | 94 | Very high | 90.6 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.179 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | 176.5 | -56.4 | -57.2 | 0 | 0 | 0 | 110 | Y297 F357 A358 S359 W419 K437 | Y297-I435 HydrophobicContact CE1-CD1 4.12Å; Y297-I435 HydrophobicContact CE1-CG1 3.92Å; Y297-I435 HydrophobicContact CE1-CG2 4.05Å; Y297-I435 WeakPolarHBondContact OH-CD1 3.43Å; F357-I435 HydrophobicContact CD2-CG2 4.28Å; F357-I435 HydrophobicContact CE2-CG2 3.47Å; F357-I435 VanDerWaalsContact CE2-CG2 3.47Å; F357-I435 HydrophobicContact CZ-CG2 3.78Å; A358-I435 CarbonylContact O-C 3.55Å; A358-I435 WeakPolarHBondContact O-CA 3.5Å; S359-I435 WeakPolarHBondContact OG-CD1 3.47Å; W419-I435 HydrophobicContact CH2-CG1 4.18Å; W419-I435 HydrophobicContact CZ2-CD1 3.58Å; W419-I435 HydrophobicContact CZ2-CG1 3.57Å; I435-K437 HydrophobicContact CG2-CB 3.94Å; I435-K437 HydrophobicContact CG2-CD 3.87Å; I435-K437 HydrophobicContact CG2-CG 3.91Å |
| 436 | F | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.6 | 165.7 | -175 | -102.6 | 0 | 0 | 0 | 107.7 | F346 L349 L352 R353 A356 F357 A358 W375 | F346-F436 HydrophobicContact CB-CD2 3.91Å; F346-F436 HydrophobicContact CD1-CB 4.1Å; F346-F436 AromaticContact CD1-CD2 3.92Å; F346-F436 HydrophobicContact CD1-CD2 3.92Å; F346-F436 HydrophobicContact CD1-CG 4.34Å; F346-F436 HydrophobicContact CD2-CB 3.93Å; F346-F436 HydrophobicContact CD2-CD2 4.17Å; F346-F436 HydrophobicContact CE1-CB 3.85Å; F346-F436 HydrophobicContact CE1-CD2 4.49Å; F346-F436 HydrophobicContact CE1-CG 4.48Å; F346-F436 HydrophobicContact CE2-CB 3.68Å; F346-F436 VanDerWaalsContact CE2-N 3.29Å; F346-F436 HydrophobicContact CG-CB 4.14Å; F346-F436 AromaticContact CG-CD2 3.74Å; F346-F436 HydrophobicContact CG-CD2 3.74Å; F346-F436 HydrophobicContact CG-CG 4.4Å; F346-F436 HydrophobicContact CZ-CB 3.64Å; L349-F436 HydrophobicContact CB-CE2 3.77Å; L349-F436 HydrophobicContact CB-CZ 3.89Å; L349-F436 VanDerWaalsContact O-CZ 3.32Å; L349-F436 WeakPolarHBondContact O-CZ 3.37Å; L352-F436 HydrophobicContact CB-CZ 4.38Å; R353-F436 HydrophobicContact CB-CE1 4.33Å; R353-F436 HydrophobicContact CB-CZ 3.89Å; R353-F436 HydrophobicContact CG-CZ 4.38Å; A356-F436 HydrophobicContact CB-CD1 4.39Å; A356-F436 HydrophobicContact CB-CE1 4.01Å; F357-F436 CarbonylContact C-O 3.53Å; F357-F436 VanDerWaalsContact CA-O 3.27Å; F357-F436 WeakPolarHBondContact CA-O 3.07Å; F357-F436 WeakPolarHBondContact CD2-O 3.3Å; A358-F436 HydrophobicContact CB-CB 3.95Å; A358-F436 PolarHBondContact N-O 3.17Å; A358-F436 PolarHBondContact O-N 3.29Å; W375-F436 HydrophobicContact CZ3-CD1 4.08Å; W375-F436 HydrophobicContact CZ3-CG 4.28Å |
| 437 | K | 88.2 | Confident | 91.1 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | trans | -147.9 | 0 | -179 | 61.8 | 179.9 | 176.8 | -175.4 | 0 | 111.7 | K294 S298 R353 F357 I435 | K294-K437 HydrophobicContact CD-CB 4.11Å; K294-K437 WeakPolarHBondContact CD-OXT 3.45Å; K294-K437 WeakPolarHBondContact CE-OXT 3.3Å; K294-K437 HydrophobicContact CG-CB 4.13Å; K294-K437 PolarHBondContact NZ-OXT 3.05Å; S298-K437 PolarHBondContact OG-NZ 3.33Å; R353-K437 WeakPolarHBondContact CD-O 3.43Å; R353-K437 VanDerWaalsContact CG-O 3.29Å; R353-K437 WeakPolarHBondContact CG-O 3.48Å; R353-K437 WeakPolarHBondContact CG-OXT 3.4Å; R353-K437 PolarHBondContact NH1-O 3.11Å; F357-K437 HydrophobicContact CD2-CB 3.8Å; F357-K437 HydrophobicContact CE2-CB 3.98Å; I435-K437 HydrophobicContact CG2-CB 3.94Å; I435-K437 HydrophobicContact CG2-CD 3.87Å; I435-K437 HydrophobicContact CG2-CG 3.91Å |
Retrieved 437 of 437 residues in 1803.9 ms
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