| 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 | 73.8 | Confident | 88.3 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 79% | 0.793 | 34% | 0.343 | S | S | * | . | 0 | 141.3 | 0 | -153.4 | 173.7 | -75.2 | 0 | 0 | 106.9 | I382 W409 | M1-I382 HydrophobicContact CE-CD1 3.72Å; M1-W409 HydrophobicContact CE-CH2 4.32Å; M1-W409 HydrophobicContact CE-CZ3 4.15Å; M1-W409 HydrophobicContact SD-CH2 3.1Å; M1-W409 WeakPolarHBondContact SD-CH2 3.49Å; M1-W409 HydrophobicContact SD-CZ2 4.22Å; M1-W409 HydrophobicContact SD-CZ3 3.32Å; M1-W409 WeakPolarHBondContact SD-CZ3 3.45Å | |||
| 2 | K | 85.6 | Confident | 89 | Confident | 110 Ų | 110 | 70.3 Ų | 70.3 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | trans | -64.1 | 146.2 | 177.1 | -71.5 | -175.6 | 177.8 | -177 | 0 | 109.8 | E6 I7 | K2-E6 WeakPolarHBondContact CA-OE2 3.37Å; K2-E6 HydrophobicContact CB-CB 4.06Å; K2-E6 HydrophobicContact CG-CB 4.47Å; K2-I7 HydrophobicContact CB-CD1 4.35Å; K2-I7 HydrophobicContact CB-CG1 3.74Å; K2-I7 HydrophobicContact CD-CG1 4.33Å | ||
| 3 | T | 87 | Confident | 89.6 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | trans | -72.1 | 163.7 | 169.7 | 65 | 0 | 0 | 0 | 0 | 110.6 | I5 E6 I7 | T3-I5 VanDerWaalsContact C-N 3.28Å; T3-I5 PolarHBondContact O-N 3.49Å; T3-I5 VanDerWaalsContact OG1-CG2 3.31Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.48Å; T3-E6 PolarHBondContact N-OE2 3.32Å; T3-E6 WeakPolarHBondContact O-CB 3.43Å; T3-E6 PolarHBondContact O-N 3.48Å; T3-E6 VanDerWaalsContact O-N 3.14Å; T3-E6 WeakPolarHBondContact OG1-CB 3.47Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 2.98Å; T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.48Å | ||
| 4 | D | 88.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 179.4 | -70.7 | -17.4 | 0 | 0 | 0 | 111.7 | I7 S8 G112 Q115 M119 | D4-I7 PolarHBondContact O-N 2.83Å; D4-S8 PolarHBondContact O-N 2.69Å; D4-G112 WeakPolarHBondContact OD1-CA 3.46Å; D4-G112 PolarHBondContact OD1-N 2.97Å; D4-Q115 PolarHBondContact O-NE2 2.85Å; D4-Q115 PolarHBondContact O-OE1 3.28Å; D4-M119 HydrophobicContact CB-CE 4.22Å |
| 5 | I | 85.9 | Confident | 90.8 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 176.1 | -164.1 | 74.6 | 0 | 0 | 0 | 112 | T3 I7 S8 Q9 M119 L556 F557 | T3-I5 VanDerWaalsContact C-N 3.28Å; T3-I5 PolarHBondContact O-N 3.49Å; T3-I5 VanDerWaalsContact OG1-CG2 3.31Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.48Å; I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 3.32Å; I5-S8 WeakPolarHBondContact O-CB 3.42Å; I5-S8 PolarHBondContact O-N 3.14Å; I5-Q9 HydrophobicContact CG1-CG 4.38Å; I5-Q9 WeakPolarHBondContact O-CB 3.4Å; I5-Q9 WeakPolarHBondContact O-CG 3.37Å; I5-Q9 PolarHBondContact O-N 2.71Å; I5-M119 HydrophobicContact CD1-SD 4.18Å; I5-L556 WeakPolarHBondContact CB-O 3.45Å; I5-L556 HydrophobicContact CD1-CB 4.11Å; I5-L556 WeakPolarHBondContact CG1-O 3.38Å; I5-L556 WeakPolarHBondContact CG2-O 3.45Å; I5-F557 VanDerWaalsContact CG2-O 3.23Å; I5-F557 WeakPolarHBondContact CG2-O 2.99Å |
| 6 | E | 88.9 | Confident | 91.3 | Very high | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 176.3 | -76.1 | 171.9 | 164.5 | 0 | 0 | 111.7 | K2 T3 A10 | K2-E6 WeakPolarHBondContact CA-OE2 3.37Å; K2-E6 HydrophobicContact CB-CB 4.06Å; K2-E6 HydrophobicContact CG-CB 4.47Å; T3-E6 PolarHBondContact N-OE2 3.32Å; T3-E6 WeakPolarHBondContact O-CB 3.43Å; T3-E6 PolarHBondContact O-N 3.48Å; T3-E6 VanDerWaalsContact O-N 3.14Å; T3-E6 WeakPolarHBondContact OG1-CB 3.47Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 2.98Å; E6-A10 WeakPolarHBondContact O-CB 3.15Å; E6-A10 PolarHBondContact O-N 2.83Å; E6-A10 VanDerWaalsContact O-N 3.1Å |
| 7 | I | 92.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 172.8 | -64.9 | 168.7 | 0 | 0 | 0 | 109.9 | K2 T3 D4 I5 A10 T11 Y113 I260 | K2-I7 HydrophobicContact CB-CD1 4.35Å; K2-I7 HydrophobicContact CB-CG1 3.74Å; K2-I7 HydrophobicContact CD-CG1 4.33Å; T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.48Å; D4-I7 PolarHBondContact O-N 2.83Å; I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 3.32Å; I7-A10 PolarHBondContact O-N 3.4Å; I7-T11 PolarHBondContact O-N 2.98Å; I7-T11 PolarHBondContact O-OG1 3.46Å; I7-Y113 HydrophobicContact CD1-CD2 4.41Å; I7-Y113 HydrophobicContact CD1-CE2 4.21Å; I7-Y113 HydrophobicContact CG2-CD1 4.14Å; I7-Y113 HydrophobicContact CG2-CE1 4.19Å; I7-I260 HydrophobicContact CG2-CD1 3.77Å |
| 8 | S | 91.2 | Very high | 92.1 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 12% | 0.119 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.7 | -52.9 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | D4 I5 A10 T11 L117 | D4-S8 PolarHBondContact O-N 2.69Å; I5-S8 WeakPolarHBondContact O-CB 3.42Å; I5-S8 PolarHBondContact O-N 3.14Å; S8-A10 VanDerWaalsContact C-N 3.31Å; S8-A10 PolarHBondContact O-N 3.02Å; S8-T11 WeakPolarHBondContact O-CB 3.49Å; S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 VanDerWaalsContact O-N 3.13Å; S8-L117 VanDerWaalsContact OG-CD2 3.27Å; S8-L117 WeakPolarHBondContact OG-CD2 3.23Å |
| 9 | Q | 89 | Confident | 92.4 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -29.7 | -177.4 | -72.7 | 176.2 | -16.5 | 0 | 0 | 113.1 | I5 T11 A553 | I5-Q9 HydrophobicContact CG1-CG 4.38Å; I5-Q9 WeakPolarHBondContact O-CB 3.4Å; I5-Q9 WeakPolarHBondContact O-CG 3.37Å; I5-Q9 PolarHBondContact O-N 2.71Å; Q9-T11 VanDerWaalsContact C-N 3.3Å; Q9-A553 PolarHBondContact NE2-O 3.22Å |
| 10 | A | 92.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -79.1 | -11 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E6 I7 S8 | E6-A10 WeakPolarHBondContact O-CB 3.15Å; E6-A10 PolarHBondContact O-N 2.83Å; E6-A10 VanDerWaalsContact O-N 3.1Å; I7-A10 PolarHBondContact O-N 3.4Å; S8-A10 VanDerWaalsContact C-N 3.31Å; S8-A10 PolarHBondContact O-N 3.02Å |
| 11 | T | 95.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | trans | -81.7 | 129.1 | -176.4 | -61.7 | 0 | 0 | 0 | 0 | 111 | I7 S8 Q9 L13 L117 I260 | I7-T11 PolarHBondContact O-N 2.98Å; I7-T11 PolarHBondContact O-OG1 3.46Å; S8-T11 WeakPolarHBondContact O-CB 3.49Å; S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 VanDerWaalsContact O-N 3.13Å; Q9-T11 VanDerWaalsContact C-N 3.3Å; T11-L13 HydrophobicContact CG2-CD2 4.25Å; T11-L13 PolarHBondContact O-N 3.25Å; T11-L117 HydrophobicContact CG2-CD1 3.77Å; T11-I260 HydrophobicContact CG2-CG1 4.41Å; T11-I260 HydrophobicContact CG2-CG2 4.18Å | ||
| 12 | T | 96.5 | Very high | 94 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | trans | -84.9 | 111 | 171.8 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | L | 97.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 138.9 | -179.4 | -61.5 | 177.2 | 0 | 0 | 0 | 111.8 | T11 Y36 L117 P118 Q258 | T11-L13 HydrophobicContact CG2-CD2 4.25Å; T11-L13 PolarHBondContact O-N 3.25Å; L13-Y36 HydrophobicContact CB-CD1 3.7Å; L13-Y36 HydrophobicContact CB-CD2 4.46Å; L13-Y36 HydrophobicContact CB-CE1 3.84Å; L13-Y36 HydrophobicContact CB-CG 4.04Å; L13-Y36 HydrophobicContact CD1-CD1 4.35Å; L13-Y36 HydrophobicContact CD1-CD2 3.79Å; L13-Y36 HydrophobicContact CD1-CE2 4.33Å; L13-Y36 HydrophobicContact CD1-CG 3.81Å; L13-L117 HydrophobicContact CD1-CB 4.49Å; L13-L117 HydrophobicContact CD2-CB 3.63Å; L13-L117 HydrophobicContact CD2-CD1 3.74Å; L13-L117 HydrophobicContact CD2-CG 4.34Å; L13-P118 HydrophobicContact CD1-CB 4.18Å; L13-Q258 HydrophobicContact CD2-CG 4.22Å |
| 14 | A | 98.2 | Very high | 95 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 146.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I16 V19 Y36 Q258 Q262 | A14-I16 PolarHBondContact O-N 2.89Å; A14-V19 HydrophobicContact CB-CG2 4.1Å; A14-Y36 WeakPolarHBondContact O-CD1 3.19Å; A14-Q258 VanDerWaalsContact N-OE1 3.14Å; A14-Q258 PolarHBondContact O-NE2 3.12Å; A14-Q262 HydrophobicContact CB-CG 4.19Å |
| 15 | P | 98.5 | Very high | 95.4 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 136.7 | 165.1 | -25.3 | 34.7 | 0 | 0 | 0 | 110.6 | T17 E18 V19 | P15-T17 PolarHBondContact O-N 3.47Å; P15-T17 VanDerWaalsContact O-N 3.12Å; P15-E18 HydrophobicContact CB-CG 4.28Å; P15-E18 WeakPolarHBondContact CD-OE1 3.39Å; P15-E18 HydrophobicContact CG-CG 4.41Å; P15-E18 WeakPolarHBondContact CG-OE1 3.29Å; P15-E18 WeakPolarHBondContact O-CB 3.34Å; P15-E18 PolarHBondContact O-N 3.41Å; P15-V19 PolarHBondContact O-N 3.31Å |
| 16 | I | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -25.6 | -174.7 | -163.1 | 60.7 | 0 | 0 | 0 | 112.6 | A14 E18 V19 A20 L32 K35 A38 L256 | A14-I16 PolarHBondContact O-N 2.89Å; I16-E18 VanDerWaalsContact C-N 3.34Å; I16-E18 PolarHBondContact O-N 2.77Å; I16-V19 HydrophobicContact CD1-CB 4.2Å; I16-V19 PolarHBondContact O-N 3.16Å; I16-A20 WeakPolarHBondContact O-CB 3.23Å; I16-A20 PolarHBondContact O-N 3.27Å; I16-L32 HydrophobicContact CG2-CD2 3.49Å; I16-L32 VanDerWaalsContact CG2-CD2 3.49Å; I16-K35 PolarHBondContact N-O 3.42Å; I16-A38 HydrophobicContact CG1-CB 4.15Å; I16-A38 HydrophobicContact CG2-CB 4.09Å; I16-L256 HydrophobicContact CD1-CD2 4.42Å; I16-L256 HydrophobicContact CD1-CG 4.03Å; I16-L256 HydrophobicContact CG1-CD2 4.36Å; I16-L256 HydrophobicContact CG1-CG 4.33Å |
| 17 | T | 98.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 53 Ų | 53 | 23% | 0.233 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 173.1 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | P15 V19 A20 E21 F27 L30 L32 | P15-T17 PolarHBondContact O-N 3.47Å; P15-T17 VanDerWaalsContact O-N 3.12Å; T17-V19 VanDerWaalsContact C-N 3.33Å; T17-V19 PolarHBondContact O-N 3.12Å; T17-A20 WeakPolarHBondContact O-CB 3.37Å; T17-A20 PolarHBondContact O-N 3.4Å; T17-E21 WeakPolarHBondContact O-CG 3Å; T17-E21 PolarHBondContact O-N 2.89Å; T17-F27 HydrophobicContact CG2-CD2 3.89Å; T17-F27 HydrophobicContact CG2-CE2 4.46Å; T17-L30 HydrophobicContact CG2-CD1 4.23Å; T17-L32 HydrophobicContact CG2-CD1 4.48Å; T17-L32 HydrophobicContact CG2-CD2 4.3Å |
| 18 | E | 98.3 | Very high | 96.6 | Very high | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -33.8 | 176.8 | -64.7 | 177.2 | -160.6 | 0 | 0 | 111.7 | P15 I16 | P15-E18 HydrophobicContact CB-CG 4.28Å; P15-E18 WeakPolarHBondContact CD-OE1 3.39Å; P15-E18 HydrophobicContact CG-CG 4.41Å; P15-E18 WeakPolarHBondContact CG-OE1 3.29Å; P15-E18 WeakPolarHBondContact O-CB 3.34Å; P15-E18 PolarHBondContact O-N 3.41Å; I16-E18 VanDerWaalsContact C-N 3.34Å; I16-E18 PolarHBondContact O-N 2.77Å |
| 19 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70 | -39.9 | 175 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | A14 P15 I16 T17 K22 Q258 P264 | A14-V19 HydrophobicContact CB-CG2 4.1Å; P15-V19 PolarHBondContact O-N 3.31Å; I16-V19 HydrophobicContact CD1-CB 4.2Å; I16-V19 PolarHBondContact O-N 3.16Å; T17-V19 VanDerWaalsContact C-N 3.33Å; T17-V19 PolarHBondContact O-N 3.12Å; V19-K22 WeakPolarHBondContact O-CB 3.49Å; V19-K22 PolarHBondContact O-N 2.95Å; V19-Q258 HydrophobicContact CG1-CB 4.07Å; V19-Q258 HydrophobicContact CG2-CB 3.93Å; V19-Q258 HydrophobicContact CG2-CG 4.48Å; V19-P264 HydrophobicContact CG1-CB 3.98Å; V19-P264 HydrophobicContact CG1-CG 3.9Å |
| 20 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I16 T17 K22 I23 N24 L25 L30 L256 | I16-A20 WeakPolarHBondContact O-CB 3.23Å; I16-A20 PolarHBondContact O-N 3.27Å; T17-A20 WeakPolarHBondContact O-CB 3.37Å; T17-A20 PolarHBondContact O-N 3.4Å; A20-K22 PolarHBondContact O-N 3.25Å; A20-I23 CarbonylContact O-C 3.52Å; A20-I23 WeakPolarHBondContact O-CA 3.34Å; A20-I23 WeakPolarHBondContact O-CG1 3.44Å; A20-I23 PolarHBondContact O-N 3.34Å; A20-N24 PolarHBondContact O-N 3.24Å; A20-L25 CarbonylContact C-O 3.48Å; A20-L25 HydrophobicContact CB-CB 3.9Å; A20-L25 PolarHBondContact O-N 2.87Å; A20-L30 HydrophobicContact CB-CD1 3.54Å; A20-L30 HydrophobicContact CB-CD2 4.06Å; A20-L30 HydrophobicContact CB-CG 4.32Å; A20-L256 HydrophobicContact CB-CD2 3.69Å |
| 21 | E | 97.7 | Very high | 97.6 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.8 | -35.5 | 175.4 | -77.3 | 173.2 | -169.3 | 0 | 0 | 112.4 | T17 I23 N24 L25 | T17-E21 WeakPolarHBondContact O-CG 3Å; T17-E21 PolarHBondContact O-N 2.89Å; E21-I23 PolarHBondContact O-N 3.28Å; E21-I23 VanDerWaalsContact O-N 3.12Å; E21-N24 PolarHBondContact O-N 3.12Å; E21-L25 PolarHBondContact N-O 3.11Å |
| 22 | K | 96.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.3 | 175.7 | -60.6 | 179.2 | -173 | -178.3 | 0 | 112.5 | V19 A20 K88 Q262 P264 | V19-K22 WeakPolarHBondContact O-CB 3.49Å; V19-K22 PolarHBondContact O-N 2.95Å; A20-K22 PolarHBondContact O-N 3.25Å; K22-K88 WeakPolarHBondContact O-CE 3.22Å; K22-K88 PolarHBondContact O-NZ 2.97Å; K22-Q262 PolarHBondContact NZ-O 3.38Å; K22-P264 HydrophobicContact CB-CG 4.34Å |
| 23 | I | 96.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 22.5 | 177.6 | 54.3 | 171.2 | 0 | 0 | 0 | 113.1 | A20 E21 L25 V90 L256 P264 F266 C291 | A20-I23 CarbonylContact O-C 3.52Å; A20-I23 WeakPolarHBondContact O-CA 3.34Å; A20-I23 WeakPolarHBondContact O-CG1 3.44Å; A20-I23 PolarHBondContact O-N 3.34Å; E21-I23 PolarHBondContact O-N 3.28Å; E21-I23 VanDerWaalsContact O-N 3.12Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 HydrophobicContact CD1-CD1 3.71Å; I23-L25 HydrophobicContact CG1-CD1 3.99Å; I23-L25 HydrophobicContact CG1-CG 4.33Å; I23-L25 PolarHBondContact O-N 2.94Å; I23-V90 HydrophobicContact CG2-CG2 3.56Å; I23-L256 HydrophobicContact CD1-CD1 3.97Å; I23-L256 HydrophobicContact CD1-CD2 4.28Å; I23-P264 HydrophobicContact CD1-CB 4.15Å; I23-P264 HydrophobicContact CG2-CB 4.07Å; I23-P264 HydrophobicContact CG2-CG 3.77Å; I23-F266 HydrophobicContact CD1-CZ 4.28Å; I23-C291 HydrophobicContact CB-CB 3.96Å; I23-C291 HydrophobicContact CG2-CB 4.22Å |
| 24 | N | 95.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 32.1 | 177.4 | -54.2 | -37.4 | 0 | 0 | 0 | 113.9 | A20 E21 K88 | A20-N24 PolarHBondContact O-N 3.24Å; E21-N24 PolarHBondContact O-N 3.12Å; N24-K88 PolarHBondContact ND2-NZ 3.28Å |
| 25 | L | 97.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | trans | -100.7 | 133.3 | 170.6 | -71.2 | 170.6 | 0 | 0 | 0 | 110.4 | A20 E21 I23 D29 L30 I40 A44 M48 | A20-L25 CarbonylContact C-O 3.48Å; A20-L25 HydrophobicContact CB-CB 3.9Å; A20-L25 PolarHBondContact O-N 2.87Å; E21-L25 PolarHBondContact N-O 3.11Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 HydrophobicContact CD1-CD1 3.71Å; I23-L25 HydrophobicContact CG1-CD1 3.99Å; I23-L25 HydrophobicContact CG1-CG 4.33Å; I23-L25 PolarHBondContact O-N 2.94Å; L25-D29 HydrophobicContact CB-CB 4.37Å; L25-D29 HydrophobicContact CD2-CB 3.76Å; L25-L30 HydrophobicContact CD1-CD2 4.42Å; L25-I40 HydrophobicContact CD1-CD1 3.8Å; L25-A44 HydrophobicContact CD2-CB 4.25Å; L25-M48 HydrophobicContact CD1-CE 3.58Å; L25-M48 HydrophobicContact CD2-CE 3.16Å; L25-M48 HydrophobicContact CG-CE 3.75Å | ||
| 26 | S | 97.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -90.3 | 171 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | D28 D29 L30 | S26-D28 PolarHBondContact O-N 2.98Å; S26-D29 WeakPolarHBondContact CB-OD2 3.38Å; S26-D29 PolarHBondContact N-OD2 2.93Å; S26-D29 WeakPolarHBondContact O-CB 3.18Å; S26-D29 PolarHBondContact O-N 2.98Å; S26-D29 VanDerWaalsContact O-N 3.14Å; S26-D29 PolarHBondContact OG-OD2 3.23Å; S26-L30 WeakPolarHBondContact O-CG 3.46Å | ||
| 27 | F | 97.5 | Very high | 97.8 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -56.8 | -38.3 | 175.2 | -179.2 | -92 | 0 | 0 | 0 | 112.9 | T17 D29 L30 L32 | T17-F27 HydrophobicContact CG2-CD2 3.89Å; T17-F27 HydrophobicContact CG2-CE2 4.46Å; F27-D29 PolarHBondContact O-N 3.34Å; F27-L30 PolarHBondContact O-N 3.44Å; F27-L30 VanDerWaalsContact O-N 3.16Å; F27-L32 HydrophobicContact CE2-CD1 3.71Å; F27-L32 HydrophobicContact CE2-CG 4.46Å; F27-L32 HydrophobicContact CZ-CD1 4.36Å |
| 28 | D | 97.5 | Very high | 97.9 | Very high | 137 Ų | 137 | 61.7 Ų | 61.7 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -72.1 | -13.2 | -178.2 | -65.3 | -21.6 | 0 | 0 | 0 | 112.9 | S26 L30 | S26-D28 PolarHBondContact O-N 2.98Å; D28-L30 VanDerWaalsContact C-N 3.27Å |
| 29 | D | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -85.2 | -3 | 175.1 | -60.4 | -53.4 | 0 | 0 | 0 | 113 | L25 S26 F27 E41 A44 R47 | L25-D29 HydrophobicContact CB-CB 4.37Å; L25-D29 HydrophobicContact CD2-CB 3.76Å; S26-D29 WeakPolarHBondContact CB-OD2 3.38Å; S26-D29 PolarHBondContact N-OD2 2.93Å; S26-D29 WeakPolarHBondContact O-CB 3.18Å; S26-D29 PolarHBondContact O-N 2.98Å; S26-D29 VanDerWaalsContact O-N 3.14Å; S26-D29 PolarHBondContact OG-OD2 3.23Å; F27-D29 PolarHBondContact O-N 3.34Å; D29-E41 PolarHBondContact O-N 3.46Å; D29-A44 HydrophobicContact CB-CB 3.62Å; D29-A44 WeakPolarHBondContact OD1-CB 3.3Å; D29-R47 IonicContact OD1-CZ 3.94Å; D29-R47 VanDerWaalsContact OD1-CZ 3.23Å; D29-R47 IonicContact OD1-NH1 3.94Å; D29-R47 PolarHBondContact OD1-NH1 3.38Å; D29-R47 IonicContact OD1-NH2 2.69Å; D29-R47 PolarHBondContact OD1-NH2 3.35Å; D29-R47 IonicContact OD2-CZ 3.37Å; D29-R47 IonicContact OD2-NH2 2.83Å; D29-R47 PolarHBondContact OD2-NH2 3.1Å |
| 30 | L | 98.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.8 | -169.2 | -55.9 | 177.3 | 0 | 0 | 0 | 111.9 | T17 A20 L25 S26 F27 D28 L32 A38 K39 I40 L256 | T17-L30 HydrophobicContact CG2-CD1 4.23Å; A20-L30 HydrophobicContact CB-CD1 3.54Å; A20-L30 HydrophobicContact CB-CD2 4.06Å; A20-L30 HydrophobicContact CB-CG 4.32Å; L25-L30 HydrophobicContact CD1-CD2 4.42Å; S26-L30 WeakPolarHBondContact O-CG 3.46Å; F27-L30 PolarHBondContact O-N 3.44Å; F27-L30 VanDerWaalsContact O-N 3.16Å; D28-L30 VanDerWaalsContact C-N 3.27Å; L30-L32 HydrophobicContact CB-CD2 4.13Å; L30-L32 HydrophobicContact CD1-CD2 4.37Å; L30-A38 HydrophobicContact CB-CB 4.08Å; L30-A38 HydrophobicContact CD2-CB 4.12Å; L30-A38 HydrophobicContact CG-CB 4.47Å; L30-K39 WeakPolarHBondContact CA-O 3.23Å; L30-I40 HydrophobicContact CD2-CD1 3.59Å; L30-L256 HydrophobicContact CD2-CD2 4.36Å |
| 31 | E | 98.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 103.6 | 163.7 | -176.1 | 177.6 | 174.4 | 0 | 0 | 108.7 | A38 K39 K253 | E31-A38 CarbonylContact O-C 3.49Å; E31-A38 VanDerWaalsContact O-CA 3.22Å; E31-A38 WeakPolarHBondContact O-CA 3.37Å; E31-K39 HydrophobicContact CB-CB 4.11Å; E31-K39 PolarHBondContact N-O 2.98Å; E31-K39 PolarHBondContact O-N 3.01Å; E31-K253 IonicContact OE2-NZ 3.35Å; E31-K253 PolarHBondContact OE2-NZ 3.3Å |
| 32 | L | 98.5 | Very high | 97.9 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 130 | -171.9 | -63.7 | -172.5 | 0 | 0 | 0 | 113.4 | I16 T17 F27 L30 A38 | I16-L32 HydrophobicContact CG2-CD2 3.49Å; I16-L32 VanDerWaalsContact CG2-CD2 3.49Å; T17-L32 HydrophobicContact CG2-CD1 4.48Å; T17-L32 HydrophobicContact CG2-CD2 4.3Å; F27-L32 HydrophobicContact CE2-CD1 3.71Å; F27-L32 HydrophobicContact CE2-CG 4.46Å; F27-L32 HydrophobicContact CZ-CD1 4.36Å; L30-L32 HydrophobicContact CB-CD2 4.13Å; L30-L32 HydrophobicContact CD1-CD2 4.37Å; L32-A38 HydrophobicContact CD2-CB 3.89Å |
| 33 | H | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -109.5 | 75.5 | 169.9 | -78.4 | -111.6 | 0 | 0 | 0 | 110 | K37 T127 | H33-K37 HydrophobicContact CB-CB 4.09Å; H33-K37 PolarHBondContact N-O 2.89Å; H33-K37 WeakPolarHBondContact O-CE 3.22Å; H33-K37 PolarHBondContact O-NZ 3.37Å; H33-T127 HydrophobicContact CB-CG2 4.17Å |
| 34 | G | 97.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 75 | -156.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 35 | K | 97.8 | Very high | 97.9 | Very high | 155 Ų | 155 | 53.4 Ų | 53.4 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -85.1 | -22.8 | -171.8 | -63.1 | -178.3 | -179.1 | 179.4 | 0 | 114.8 | I16 | I16-K35 PolarHBondContact N-O 3.42Š|
| 36 | Y | 98.5 | Very high | 97.8 | Very high | 84 Ų | 84 | 57.9 Ų | 57.9 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -122.5 | 8.5 | -163.7 | -49.4 | -53 | 0 | 0 | 0 | 113.9 | L13 A14 | L13-Y36 HydrophobicContact CB-CD1 3.7Å; L13-Y36 HydrophobicContact CB-CD2 4.46Å; L13-Y36 HydrophobicContact CB-CE1 3.84Å; L13-Y36 HydrophobicContact CB-CG 4.04Å; L13-Y36 HydrophobicContact CD1-CD1 4.35Å; L13-Y36 HydrophobicContact CD1-CD2 3.79Å; L13-Y36 HydrophobicContact CD1-CE2 4.33Å; L13-Y36 HydrophobicContact CD1-CG 3.81Å; A14-Y36 WeakPolarHBondContact O-CD1 3.19Å |
| 37 | K | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | trans | -143.6 | 144.5 | 179.9 | -51 | 179.6 | -64.4 | -61.2 | 0 | 109.1 | H33 P118 D121 F126 L256 V257 | H33-K37 HydrophobicContact CB-CB 4.09Å; H33-K37 PolarHBondContact N-O 2.89Å; H33-K37 WeakPolarHBondContact O-CE 3.22Å; H33-K37 PolarHBondContact O-NZ 3.37Å; K37-P118 HydrophobicContact CD-CG 3.99Å; K37-P118 HydrophobicContact CG-CG 3.92Å; K37-D121 HydrophobicContact CD-CB 3.86Å; K37-D121 VanDerWaalsContact CE-OD2 3.32Å; K37-D121 WeakPolarHBondContact CE-OD2 3.36Å; K37-D121 IonicContact NZ-OD2 2.77Å; K37-D121 PolarHBondContact NZ-OD2 3.17Å; K37-F126 HydrophobicContact CD-CD2 3.71Å; K37-F126 HydrophobicContact CD-CE2 3.63Å; K37-F126 HydrophobicContact CG-CE2 4.24Å; K37-L256 WeakPolarHBondContact CA-O 3.49Å; K37-V257 HydrophobicContact CB-CG1 4.37Å; K37-V257 HydrophobicContact CG-CG1 4.03Å | ||
| 38 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I16 L30 E31 L32 N255 L256 | I16-A38 HydrophobicContact CG1-CB 4.15Å; I16-A38 HydrophobicContact CG2-CB 4.09Å; L30-A38 HydrophobicContact CB-CB 4.08Å; L30-A38 HydrophobicContact CD2-CB 4.12Å; L30-A38 HydrophobicContact CG-CB 4.47Å; E31-A38 CarbonylContact O-C 3.49Å; E31-A38 VanDerWaalsContact O-CA 3.22Å; E31-A38 WeakPolarHBondContact O-CA 3.37Å; L32-A38 HydrophobicContact CD2-CB 3.89Å; A38-N255 CarbonylContact O-C 3.47Å; A38-N255 WeakPolarHBondContact O-CA 3.43Å; A38-L256 PolarHBondContact N-O 2.99Å; A38-L256 VanDerWaalsContact N-O 3.08Å; A38-L256 PolarHBondContact O-N 2.95Å |
| 39 | K | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 150.5 | 160.3 | -81.6 | 178.5 | 171.8 | -62.1 | 0 | 109.6 | L30 E31 D129 D250 K253 P254 N255 | L30-K39 WeakPolarHBondContact CA-O 3.23Å; E31-K39 HydrophobicContact CB-CB 4.11Å; E31-K39 PolarHBondContact N-O 2.98Å; E31-K39 PolarHBondContact O-N 3.01Å; K39-D129 VanDerWaalsContact CE-OD1 3.25Å; K39-D129 WeakPolarHBondContact CE-OD1 3.41Å; K39-D129 IonicContact NZ-OD1 3.95Å; K39-D129 PolarHBondContact NZ-OD1 3.12Å; K39-D129 IonicContact NZ-OD2 3.41Å; K39-D129 PolarHBondContact NZ-OD2 2.82Å; K39-D250 WeakPolarHBondContact CD-O 3.33Å; K39-D250 WeakPolarHBondContact CE-O 3.33Å; K39-D250 PolarHBondContact NZ-O 2.81Å; K39-K253 HydrophobicContact CB-CB 4.02Å; K39-K253 HydrophobicContact CB-CD 4.26Å; K39-K253 HydrophobicContact CD-CB 4.13Å; K39-K253 HydrophobicContact CG-CB 4.2Å; K39-K253 PolarHBondContact NZ-O 3.27Å; K39-P254 WeakPolarHBondContact CA-O 3.22Å; K39-N255 WeakPolarHBondContact CE-OD1 3.32Å; K39-N255 VanDerWaalsContact CG-OD1 3.24Å; K39-N255 WeakPolarHBondContact CG-OD1 3.47Å; K39-N255 PolarHBondContact NZ-OD1 3.1Å |
| 40 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.9 | 176 | -52.4 | -49.2 | 0 | 0 | 0 | 109.9 | L25 L30 A44 L45 M48 K253 P254 L256 F266 | L25-I40 HydrophobicContact CD1-CD1 3.8Å; L30-I40 HydrophobicContact CD2-CD1 3.59Å; I40-A44 HydrophobicContact CG2-CB 3.85Å; I40-L45 HydrophobicContact CB-CD2 4.17Å; I40-L45 HydrophobicContact CB-CG 4.4Å; I40-L45 HydrophobicContact CG2-CD2 3.79Å; I40-L45 HydrophobicContact CG2-CG 3.92Å; I40-M48 HydrophobicContact CG2-CE 3.81Å; I40-K253 WeakPolarHBondContact O-CB 3.5Å; I40-K253 WeakPolarHBondContact O-CD 3.45Å; I40-P254 PolarHBondContact N-O 3.46Å; I40-P254 VanDerWaalsContact N-O 3.09Å; I40-L256 HydrophobicContact CD1-CB 3.96Å; I40-L256 HydrophobicContact CD1-CD2 4.3Å; I40-F266 HydrophobicContact CD1-CE1 3.96Å; I40-F266 HydrophobicContact CD1-CZ 4.48Å; I40-F266 HydrophobicContact CG1-CE1 3.52Å; I40-F266 HydrophobicContact CG1-CZ 4.08Å |
| 41 | E | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.3 | 179.8 | -74.9 | -65.1 | 174.4 | 0 | 0 | 113 | D29 D43 A44 L45 K253 | D29-E41 PolarHBondContact O-N 3.46Å; E41-D43 PolarHBondContact O-N 3.26Å; E41-A44 WeakPolarHBondContact O-CB 3.46Å; E41-A44 PolarHBondContact O-N 3.02Å; E41-A44 VanDerWaalsContact O-N 3.12Å; E41-L45 PolarHBondContact O-N 2.95Å; E41-K253 IonicContact OE1-NZ 2.87Å; E41-K253 PolarHBondContact OE1-NZ 3.12Å; E41-K253 IonicContact OE2-NZ 3.86Å; E41-K253 PolarHBondContact OE2-NZ 3.16Å |
| 42 | F | 97.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 65 Ų | 65 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | -177.7 | -74.1 | -65.1 | 0 | 0 | 0 | 112.6 | A44 L45 E46 K249 I252 K253 | F42-A44 PolarHBondContact O-N 3.14Å; F42-L45 WeakPolarHBondContact O-CB 3.32Å; F42-L45 PolarHBondContact O-N 3.35Å; F42-L45 VanDerWaalsContact O-N 3.12Å; F42-E46 PolarHBondContact O-N 3.17Å; F42-K249 HydrophobicContact CE2-CG 4.27Å; F42-K249 VanDerWaalsContact CZ-O 3.31Å; F42-K249 WeakPolarHBondContact CZ-O 3.3Å; F42-I252 HydrophobicContact CE1-CG2 3.66Å; F42-I252 HydrophobicContact CZ-CG2 3.66Å; F42-K253 HydrophobicContact CE1-CG 4.32Å; F42-K253 HydrophobicContact CE2-CD 4.47Å; F42-K253 HydrophobicContact CE2-CG 4.3Å; F42-K253 HydrophobicContact CZ-CG 4.08Å |
| 43 | D | 96.7 | Very high | 97 | Very high | 135 Ų | 135 | 65.4 Ų | 65.4 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -32.5 | 179.2 | -67.5 | -13 | 0 | 0 | 0 | 111.6 | E41 R47 | E41-D43 PolarHBondContact O-N 3.26Å; D43-R47 WeakPolarHBondContact O-CB 3.43Å; D43-R47 PolarHBondContact O-N 2.78Å |
| 44 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 D29 I40 E41 F42 E46 R47 M48 | L25-A44 HydrophobicContact CD2-CB 4.25Å; D29-A44 HydrophobicContact CB-CB 3.62Å; D29-A44 WeakPolarHBondContact OD1-CB 3.3Å; I40-A44 HydrophobicContact CG2-CB 3.85Å; E41-A44 WeakPolarHBondContact O-CB 3.46Å; E41-A44 PolarHBondContact O-N 3.02Å; E41-A44 VanDerWaalsContact O-N 3.12Å; F42-A44 PolarHBondContact O-N 3.14Å; A44-E46 VanDerWaalsContact C-N 3.31Å; A44-E46 PolarHBondContact O-N 3.03Å; A44-R47 PolarHBondContact O-N 2.93Å; A44-M48 WeakPolarHBondContact O-CB 3.14Å; A44-M48 VanDerWaalsContact O-CG 3.23Å; A44-M48 WeakPolarHBondContact O-CG 3.3Å; A44-M48 PolarHBondContact O-N 3.02Å |
| 45 | L | 96.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.6 | -67.3 | 174.2 | 0 | 0 | 0 | 112.3 | I40 E41 F42 M48 P254 A287 | I40-L45 HydrophobicContact CB-CD2 4.17Å; I40-L45 HydrophobicContact CB-CG 4.4Å; I40-L45 HydrophobicContact CG2-CD2 3.79Å; I40-L45 HydrophobicContact CG2-CG 3.92Å; E41-L45 PolarHBondContact O-N 2.95Å; F42-L45 WeakPolarHBondContact O-CB 3.32Å; F42-L45 PolarHBondContact O-N 3.35Å; F42-L45 VanDerWaalsContact O-N 3.12Å; L45-M48 HydrophobicContact CD2-SD 4.25Å; L45-P254 HydrophobicContact CD2-CG 4.26Å; L45-A287 HydrophobicContact CD2-CB 3.88Å |
| 46 | E | 95.9 | Very high | 97.1 | Very high | 100 Ų | 100 | 57.4 Ų | 57.4 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 175.2 | -70.1 | -53.8 | 131 | 0 | 0 | 111.5 | F42 A44 M48 K49 | F42-E46 PolarHBondContact O-N 3.17Å; A44-E46 VanDerWaalsContact C-N 3.31Å; A44-E46 PolarHBondContact O-N 3.03Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 2.78Å; E46-K49 WeakPolarHBondContact O-CB 3.32Å; E46-K49 PolarHBondContact O-N 3.22Å; E46-K49 VanDerWaalsContact O-N 3.14Å; E46-K49 WeakPolarHBondContact OE1-CE 3.49Å; E46-K49 IonicContact OE1-NZ 2.77Å; E46-K49 PolarHBondContact OE1-NZ 2.94Å; E46-K49 WeakPolarHBondContact OE2-CE 3.17Å; E46-K49 IonicContact OE2-NZ 3.45Å; E46-K49 PolarHBondContact OE2-NZ 3.44Å |
| 47 | R | 95.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 53.4 Ų | 53.4 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 179.1 | -170.2 | 176.9 | 68.9 | -113.1 | 3.5 | 112.8 | D29 D43 A44 K49 E50 | D29-R47 IonicContact OD1-CZ 3.94Å; D29-R47 VanDerWaalsContact OD1-CZ 3.23Å; D29-R47 IonicContact OD1-NH1 3.94Å; D29-R47 PolarHBondContact OD1-NH1 3.38Å; D29-R47 IonicContact OD1-NH2 2.69Å; D29-R47 PolarHBondContact OD1-NH2 3.35Å; D29-R47 IonicContact OD2-CZ 3.37Å; D29-R47 IonicContact OD2-NH2 2.83Å; D29-R47 PolarHBondContact OD2-NH2 3.1Å; D43-R47 WeakPolarHBondContact O-CB 3.43Å; D43-R47 PolarHBondContact O-N 2.78Å; A44-R47 PolarHBondContact O-N 2.93Å; R47-K49 PolarHBondContact O-N 3.4Å; R47-K49 VanDerWaalsContact O-N 3.17Å; R47-E50 WeakPolarHBondContact O-CB 3.47Å; R47-E50 WeakPolarHBondContact O-CG 3.48Å; R47-E50 PolarHBondContact O-N 2.76Å; R47-E50 VanDerWaalsContact O-N 3.14Å |
| 48 | M | 95.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55 | -33.1 | 175.9 | -79.4 | 175.6 | -169.6 | 0 | 0 | 112.5 | L25 I40 A44 L45 E46 E50 N51 A287 H290 C291 | L25-M48 HydrophobicContact CD1-CE 3.58Å; L25-M48 HydrophobicContact CD2-CE 3.16Å; L25-M48 HydrophobicContact CG-CE 3.75Å; I40-M48 HydrophobicContact CG2-CE 3.81Å; A44-M48 WeakPolarHBondContact O-CB 3.14Å; A44-M48 VanDerWaalsContact O-CG 3.23Å; A44-M48 WeakPolarHBondContact O-CG 3.3Å; A44-M48 PolarHBondContact O-N 3.02Å; L45-M48 HydrophobicContact CD2-SD 4.25Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 2.78Å; M48-E50 PolarHBondContact O-N 2.88Å; M48-N51 WeakPolarHBondContact O-CB 3.49Å; M48-N51 PolarHBondContact O-N 2.82Å; M48-A287 HydrophobicContact SD-CB 3.95Å; M48-H290 HydrophobicContact CB-CB 3.86Å; M48-H290 WeakPolarHBondContact O-CB 3.25Å; M48-H290 VanDerWaalsContact O-CG 3.29Å; M48-H290 PolarHBondContact O-ND1 3.13Å; M48-C291 VanDerWaalsContact CE-SG 3.58Å; M48-C291 VanDerWaalsContact SD-SG 3.61Å |
| 49 | K | 93.5 | Very high | 97.2 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.7 | -178.4 | -60.2 | 175.1 | -172 | 171.9 | 0 | 113.5 | E46 R47 N51 | E46-K49 WeakPolarHBondContact O-CB 3.32Å; E46-K49 PolarHBondContact O-N 3.22Å; E46-K49 VanDerWaalsContact O-N 3.14Å; E46-K49 WeakPolarHBondContact OE1-CE 3.49Å; E46-K49 IonicContact OE1-NZ 2.77Å; E46-K49 PolarHBondContact OE1-NZ 2.94Å; E46-K49 WeakPolarHBondContact OE2-CE 3.17Å; E46-K49 IonicContact OE2-NZ 3.45Å; E46-K49 PolarHBondContact OE2-NZ 3.44Å; R47-K49 PolarHBondContact O-N 3.4Å; R47-K49 VanDerWaalsContact O-N 3.17Å; K49-N51 VanDerWaalsContact C-N 3.28Å |
| 50 | E | 94.5 | Very high | 97.1 | Very high | 166 Ų | 166 | 52.2 Ų | 52.2 | 78% | 0.776 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22 | 174.9 | -59.6 | -179.3 | 173.8 | 0 | 0 | 112.7 | R47 M48 | R47-E50 WeakPolarHBondContact O-CB 3.47Å; R47-E50 WeakPolarHBondContact O-CG 3.48Å; R47-E50 PolarHBondContact O-N 2.76Å; R47-E50 VanDerWaalsContact O-N 3.14Å; M48-E50 PolarHBondContact O-N 2.88Å |
| 51 | N | 95.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -78 | 144.5 | 177 | -63.8 | -32.8 | 0 | 0 | 0 | 110.8 | M48 K49 H290 | M48-N51 WeakPolarHBondContact O-CB 3.49Å; M48-N51 PolarHBondContact O-N 2.82Å; K49-N51 VanDerWaalsContact C-N 3.28Å; N51-H290 HydrophobicContact CB-CB 4.32Å; N51-H290 VanDerWaalsContact CB-O 3.23Å; N51-H290 WeakPolarHBondContact CB-O 3.48Å; N51-H290 PolarHBondContact ND2-O 3.37Å; N51-H290 PolarHBondContact O-CE1 2.93Å; N51-H290 PolarHBondContact O-ND1 3.08Å |
| 52 | P | 96.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 76% | 0.76 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -62 | 146 | 171.6 | 28.5 | -34.7 | 0 | 0 | 0 | 110.7 | ||
| 53 | E | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 131.4 | 174.6 | -63 | -175.1 | 153 | 0 | 0 | 111.4 | L289 K320 | E53-L289 WeakPolarHBondContact CA-O 3.44Å; E53-L289 HydrophobicContact CB-CB 4.4Å; E53-L289 HydrophobicContact CG-CB 4.47Å; E53-K320 VanDerWaalsContact OE2-CD 3.26Å; E53-K320 WeakPolarHBondContact OE2-CD 3.39Å; E53-K320 WeakPolarHBondContact OE2-CG 3.47Å; E53-K320 IonicContact OE2-NZ 2.71Å; E53-K320 PolarHBondContact OE2-NZ 3.24Å |
| 54 | G | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | trans | -68.2 | -170.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | L289 G292 D293 K320 | G54-L289 PolarHBondContact N-O 3.41Å; G54-G292 WeakPolarHBondContact CA-O 3.44Å; G54-D293 CarbonylContact C-O 3.46Å; G54-D293 WeakPolarHBondContact CA-O 3.27Å; G54-K320 WeakPolarHBondContact O-CE 3.46Å; G54-K320 PolarHBondContact O-NZ 3.16Å | ||
| 55 | K | 98.6 | Very high | 97 | Very high | 82 Ų | 82 | 42 Ų | 42 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.3 | 179.7 | -62.4 | -59.5 | -168.4 | 177 | 0 | 111.5 | D293 Y294 V295 D323 I427 | K55-D293 PolarHBondContact N-O 3.03Å; K55-Y294 HydrophobicContact CB-CD1 3.66Å; K55-Y294 HydrophobicContact CB-CE1 3.85Å; K55-Y294 HydrophobicContact CB-CG 4.22Å; K55-Y294 HydrophobicContact CG-CD1 4.33Å; K55-Y294 HydrophobicContact CG-CE1 4.07Å; K55-Y294 CarbonylContact O-C 3.46Å; K55-Y294 WeakPolarHBondContact O-CA 3.45Å; K55-V295 PolarHBondContact O-N 2.99Å; K55-D323 VanDerWaalsContact CA-OD2 3.27Å; K55-D323 WeakPolarHBondContact CA-OD2 3.39Å; K55-D323 HydrophobicContact CB-CB 4.43Å; K55-D323 HydrophobicContact CD-CB 4.19Å; K55-D323 VanDerWaalsContact CD-CG 3.44Å; K55-D323 WeakPolarHBondContact CD-OD1 3.27Å; K55-D323 IonicContact NZ-OD1 2.76Å; K55-D323 PolarHBondContact NZ-OD1 2.83Å; K55-I427 HydrophobicContact CB-CG2 4.46Å; K55-I427 HydrophobicContact CD-CG2 3.88Å; K55-I427 HydrophobicContact CG-CG2 4.03Å |
| 56 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124 | -177.7 | -176.6 | 58.5 | 0 | 0 | 0 | 111.5 | T285 L289 V295 T297 F310 L318 K320 P322 D323 A324 | L56-T285 HydrophobicContact CD1-CG2 4.01Å; L56-L289 HydrophobicContact CB-CD2 4.1Å; L56-L289 HydrophobicContact CD1-CD2 4.46Å; L56-V295 HydrophobicContact CD1-CB 4.05Å; L56-V295 HydrophobicContact CD1-CG1 3.91Å; L56-T297 HydrophobicContact CD1-CG2 3.8Å; L56-F310 HydrophobicContact CD2-CE1 4.37Å; L56-F310 HydrophobicContact CD2-CZ 4.14Å; L56-L318 HydrophobicContact CD2-CD2 3.91Å; L56-K320 HydrophobicContact CB-CD 4.1Å; L56-K320 HydrophobicContact CD2-CD 4.28Å; L56-P322 HydrophobicContact CD2-CG 4.47Å; L56-P322 HydrophobicContact CG-CB 4.47Å; L56-P322 CarbonylContact O-C 3.52Å; L56-P322 WeakPolarHBondContact O-CA 3.19Å; L56-D323 PolarHBondContact N-OD2 3.2Å; L56-D323 PolarHBondContact O-N 3.11Å; L56-A324 PolarHBondContact O-N 2.77Å |
| 57 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.9 | 175.7 | -60.8 | 156.9 | 0 | 0 | 0 | 108.5 | V59 L78 L82 Y294 V295 V296 T297 A324 V326 V423 I427 | I57-V59 HydrophobicContact CG2-CG2 4.47Å; I57-L78 HydrophobicContact CG2-CD2 4.12Å; I57-L82 HydrophobicContact CD1-CD1 3.8Å; I57-Y294 HydrophobicContact CD1-CD1 3.93Å; I57-V295 WeakPolarHBondContact CB-O 3.47Å; I57-V295 PolarHBondContact N-O 3.18Å; I57-V296 HydrophobicContact CD1-CG2 4.12Å; I57-V296 HydrophobicContact CG2-CG1 4.5Å; I57-T297 PolarHBondContact O-N 3.11Å; I57-A324 WeakPolarHBondContact CA-O 3.28Å; I57-V326 HydrophobicContact CG2-CG2 3.86Å; I57-V423 HydrophobicContact CD1-CG1 3.59Å; I57-V423 HydrophobicContact CG1-CG1 3.93Å; I57-V423 HydrophobicContact CG2-CG1 4.46Å; I57-I427 HydrophobicContact CD1-CD1 4.18Å; I57-I427 HydrophobicContact CG1-CD1 3.81Å |
| 58 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.4 | 172.7 | 173.1 | 61.7 | 0 | 0 | 0 | 110 | T297 A299 F310 L311 P322 A324 V325 V326 | L58-T297 HydrophobicContact CD1-CG2 4.45Å; L58-A299 HydrophobicContact CD1-CB 4.23Å; L58-F310 HydrophobicContact CD1-CB 4.3Å; L58-F310 HydrophobicContact CD1-CD1 4.27Å; L58-F310 HydrophobicContact CD1-CD2 3.62Å; L58-F310 HydrophobicContact CD1-CE2 3.96Å; L58-F310 HydrophobicContact CD1-CG 3.8Å; L58-F310 HydrophobicContact CD1-CZ 4.44Å; L58-F310 HydrophobicContact CD2-CB 4.05Å; L58-F310 HydrophobicContact CD2-CD1 3.84Å; L58-F310 HydrophobicContact CD2-CE1 4.48Å; L58-F310 HydrophobicContact CD2-CG 3.9Å; L58-F310 HydrophobicContact CG-CG 4.46Å; L58-L311 HydrophobicContact CD2-CD2 4.35Å; L58-L311 HydrophobicContact CD2-CG 4.48Å; L58-P322 HydrophobicContact CB-CB 3.95Å; L58-P322 HydrophobicContact CB-CG 3.69Å; L58-P322 HydrophobicContact CD2-CG 4.18Å; L58-A324 PolarHBondContact N-O 3.41Å; L58-V325 HydrophobicContact CB-CG2 4.41Å; L58-V325 HydrophobicContact CD2-CG2 4.45Å; L58-V325 CarbonylContact O-C 3.34Å; L58-V325 WeakPolarHBondContact O-CA 3.35Å; L58-V326 PolarHBondContact O-N 3.13Å |
| 59 | V | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.2 | 169.4 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | I57 K71 T75 L78 V296 T297 E298 A299 V326 V328 | I57-V59 HydrophobicContact CG2-CG2 4.47Å; V59-K71 HydrophobicContact CG1-CG 3.97Å; V59-T75 HydrophobicContact CB-CG2 4.4Å; V59-T75 HydrophobicContact CG2-CG2 4.19Å; V59-L78 HydrophobicContact CG2-CD2 4.36Å; V59-V296 HydrophobicContact CG2-CG1 3.53Å; V59-T297 PolarHBondContact N-O 3.06Å; V59-E298 HydrophobicContact CB-CB 4.32Å; V59-E298 VanDerWaalsContact O-CA 3.23Å; V59-E298 WeakPolarHBondContact O-CA 3.3Å; V59-E298 WeakPolarHBondContact O-CB 3.4Å; V59-A299 PolarHBondContact O-N 2.83Å; V59-V326 WeakPolarHBondContact CA-O 3.42Å; V59-V326 HydrophobicContact CG2-CB 4.3Å; V59-V328 HydrophobicContact CG1-CG2 3.64Å |
| 60 | T | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | -175.9 | 173.3 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | A303 V325 V326 I327 V328 | T60-A303 HydrophobicContact CG2-CB 3.6Å; T60-A303 WeakPolarHBondContact OG1-CA 3.41Å; T60-A303 WeakPolarHBondContact OG1-CB 3.45Å; T60-A303 PolarHBondContact OG1-N 3.47Å; T60-V325 HydrophobicContact CG2-CG1 3.78Å; T60-V326 PolarHBondContact N-O 2.93Å; T60-I327 HydrophobicContact CG2-CB 4.45Å; T60-I327 HydrophobicContact CG2-CG1 3.87Å; T60-V328 WeakPolarHBondContact O-CG2 3.4Å; T60-V328 PolarHBondContact O-N 3.09Å |
| 61 | S | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 172.8 | 177.6 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | F301 G302 A303 V328 | S61-F301 PolarHBondContact OG-O 3.35Å; S61-G302 CarbonylContact O-C 3.56Å; S61-G302 WeakPolarHBondContact O-CA 3.38Å; S61-A303 PolarHBondContact O-N 3.37Å; S61-V328 VanDerWaalsContact CA-O 3.27Å; S61-V328 WeakPolarHBondContact CA-O 3.37Å; S61-V328 WeakPolarHBondContact CB-O 3.45Å |
| 62 | I | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -58.8 | 173.6 | 158.1 | 61.2 | 173.5 | 0 | 0 | 0 | 111.5 | E69 G302 I327 V328 A329 A333 L334 N359 L360 | I62-E69 HydrophobicContact CD1-CG 4.14Å; I62-E69 HydrophobicContact CG1-CG 3.74Å; I62-G302 WeakPolarHBondContact O-CA 3.48Å; I62-I327 HydrophobicContact CG2-CG2 4.44Å; I62-V328 PolarHBondContact N-O 3.3Å; I62-A329 HydrophobicContact CD1-CB 4.13Å; I62-A329 HydrophobicContact CG1-CB 4.48Å; I62-A329 HydrophobicContact CG2-CB 3.97Å; I62-A333 HydrophobicContact CD1-CB 3.64Å; I62-L334 HydrophobicContact CD1-CD2 3.98Å; I62-L334 HydrophobicContact CD1-CG 4.27Å; I62-N359 WeakPolarHBondContact CB-OD1 3.33Å; I62-L360 HydrophobicContact CG2-CB 3.96Å; I62-L360 HydrophobicContact CG2-CD1 3.81Å; I62-L360 HydrophobicContact CG2-CG 4.45Å |
| 63 | N | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -57.5 | 134.2 | 173.6 | -73.8 | 95.2 | 0 | 0 | 0 | 109.6 | T65 D304 H337 N359 H363 Q491 | N63-T65 PolarHBondContact O-N 2.83Å; N63-D304 PolarHBondContact ND2-OD1 3.35Å; N63-D304 PolarHBondContact ND2-OD2 3.38Å; N63-D304 VanDerWaalsContact ND2-OD2 3.07Å; N63-H337 PolarHBondContact O-NE2 2.73Å; N63-N359 PolarHBondContact N-OD1 3.44Å; N63-N359 PolarHBondContact OD1-ND2 3.34Å; N63-H363 PolarHBondContact N-NE2 2.86Å; N63-H363 PolarHBondContact OD1-CE1 3.03Å; N63-H363 PolarHBondContact OD1-NE2 3.43Å; N63-Q491 PolarHBondContact ND2-O 2.85Å |
| 64 | P | 95.7 | Very high | 96 | Very high | 23 Ų | 23 | 17.1 Ų | 17.1 | 15% | 0.149 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 140.1 | -179.7 | -26.5 | 35.2 | 0 | 0 | 0 | 112.2 | E69 F301 Q491 Y492 | P64-E69 WeakPolarHBondContact CA-OE2 3.43Å; P64-F301 HydrophobicContact CG-CB 4.42Å; P64-F301 HydrophobicContact CG-CD1 4.38Å; P64-Q491 HydrophobicContact CB-CG 4.49Å; P64-Q491 VanDerWaalsContact CD-O 3.29Å; P64-Q491 WeakPolarHBondContact CD-O 3.49Å; P64-Q491 HydrophobicContact CG-CB 4.32Å; P64-Q491 HydrophobicContact CG-CG 4.17Å; P64-Y492 WeakPolarHBondContact O-CD1 3.43Å |
| 65 | T | 94.9 | Very high | 96 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | trans | -121.1 | 159.1 | 173.3 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | N63 A67 G68 E69 A333 M336 | N63-T65 PolarHBondContact O-N 2.83Å; T65-A67 PolarHBondContact O-N 2.98Å; T65-A67 WeakPolarHBondContact OG1-CB 3.33Å; T65-A67 PolarHBondContact OG1-N 3Å; T65-G68 PolarHBondContact O-N 2.58Å; T65-E69 WeakPolarHBondContact CB-OE1 3.29Å; T65-E69 PolarHBondContact N-OE1 3.37Å; T65-E69 PolarHBondContact OG1-OE1 3.27Å; T65-A333 HydrophobicContact CG2-CB 3.86Å; T65-A333 VanDerWaalsContact OG1-CB 3.28Å; T65-A333 WeakPolarHBondContact OG1-CB 3.21Å; T65-M336 HydrophobicContact CG2-CB 4.35Å | ||
| 66 | P | 88.5 | Confident | 96 | Very high | 74 Ų | 74 | 12.7 Ų | 12.7 | 48% | 0.481 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -10.8 | 170.7 | -27.9 | 36.9 | 0 | 0 | 0 | 115.3 | M336 K342 | P66-M336 HydrophobicContact CB-CE 4.29Å; P66-M336 HydrophobicContact CB-SD 4.41Å; P66-M336 HydrophobicContact CG-CE 4.03Å; P66-K342 HydrophobicContact CB-CD 3.89Å; P66-K342 VanDerWaalsContact O-CE 3.29Å; P66-K342 WeakPolarHBondContact O-CE 3.4Å; P66-K342 PolarHBondContact O-NZ 3.39Å |
| 67 | A | 86.8 | Confident | 96 | Very high | 19 Ų | 19 | 12.7 Ų | 12.7 | 16% | 0.157 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -30.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T65 R332 M336 L345 | T65-A67 PolarHBondContact O-N 2.98Å; T65-A67 WeakPolarHBondContact OG1-CB 3.33Å; T65-A67 PolarHBondContact OG1-N 3Å; A67-R332 HydrophobicContact CB-CB 4.2Å; A67-M336 HydrophobicContact CB-SD 3.88Å; A67-L345 HydrophobicContact CB-CD1 3.66Å |
| 68 | G | 88.4 | Confident | 96 | Very high | 38 Ų | 38 | 12.7 Ų | 12.7 | 39% | 0.392 | 9% | 0.092 | S | C | . | . | trans | 84.2 | 137.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T65 T330 | T65-G68 PolarHBondContact O-N 2.58Å; G68-T330 PolarHBondContact O-OG1 2.63Å | ||
| 69 | E | 93.2 | Very high | 96 | Very high | 17 Ų | 17 | 12.7 Ų | 12.7 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | trans | -101 | -24.1 | -178.1 | -62.9 | 65.7 | -129.7 | 0 | 0 | 112.1 | I62 P64 T65 V328 T330 A333 N379 | I62-E69 HydrophobicContact CD1-CG 4.14Å; I62-E69 HydrophobicContact CG1-CG 3.74Å; P64-E69 WeakPolarHBondContact CA-OE2 3.43Å; T65-E69 WeakPolarHBondContact CB-OE1 3.29Å; T65-E69 PolarHBondContact N-OE1 3.37Å; T65-E69 PolarHBondContact OG1-OE1 3.27Å; E69-V328 WeakPolarHBondContact O-CG1 3.33Å; E69-T330 WeakPolarHBondContact O-CG2 3.27Å; E69-A333 HydrophobicContact CG-CB 4.19Å; E69-A333 WeakPolarHBondContact OE1-CB 3.35Å; E69-N379 PolarHBondContact O-ND2 3.3Å | ||
| 70 | G | 93.5 | Very high | 96 | Very high | 26 Ų | 26 | 12.9 Ų | 12.9 | 27% | 0.268 | 9% | 0.093 | S | C | . | . | trans | 71.1 | 33.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S72 T73 V74 | G70-S72 PolarHBondContact O-N 2.97Å; G70-T73 VanDerWaalsContact O-CB 3.28Å; G70-T73 WeakPolarHBondContact O-CB 3.38Å; G70-T73 PolarHBondContact O-N 3.48Å; G70-T73 VanDerWaalsContact O-N 3.14Å; G70-V74 PolarHBondContact O-N 2.89Å | ||
| 71 | K | 97.1 | Very high | 96 | Very high | 21 Ų | 21 | 12.9 Ų | 12.9 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -50.6 | -53.9 | -179.5 | -179.5 | 175.4 | 59.6 | -151.9 | 0 | 113 | V59 T73 V74 T75 A299 F301 | V59-K71 HydrophobicContact CG1-CG 3.97Å; K71-T73 VanDerWaalsContact C-N 3.28Å; K71-T73 PolarHBondContact O-N 3.19Å; K71-V74 CarbonylContact O-C 3.55Å; K71-V74 PolarHBondContact O-N 3.39Å; K71-T75 PolarHBondContact O-N 3.34Å; K71-T75 PolarHBondContact O-OG1 3.42Å; K71-A299 WeakPolarHBondContact CE-O 3.06Å; K71-A299 PolarHBondContact NZ-O 3.04Å; K71-F301 PolarHBondContact NZ-O 2.99Å |
| 72 | S | 96.2 | Very high | 96 | Very high | 21 Ų | 21 | 12.8 Ų | 12.8 | 15% | 0.147 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | -178.3 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | G70 T75 I76 E298 | G70-S72 PolarHBondContact O-N 2.97Å; S72-T75 PolarHBondContact O-N 3.14Å; S72-I76 WeakPolarHBondContact O-CD1 3.49Å; S72-I76 VanDerWaalsContact O-CG1 3.26Å; S72-I76 WeakPolarHBondContact O-CG1 3.36Å; S72-I76 PolarHBondContact O-N 3.31Å; S72-E298 WeakPolarHBondContact CA-OE2 3.17Å; S72-E298 WeakPolarHBondContact CB-OE2 3.34Å; S72-E298 PolarHBondContact OG-OE1 2.96Å; S72-E298 VanDerWaalsContact OG-OE1 3.11Å; S72-E298 PolarHBondContact OG-OE2 3.5Å |
| 73 | T | 96.7 | Very high | 96 | Very high | 14 Ų | 14 | 15.2 Ų | 15.2 | 9% | 0.086 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 170.7 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | G70 K71 G77 G111 A114 V408 W409 | G70-T73 VanDerWaalsContact O-CB 3.28Å; G70-T73 WeakPolarHBondContact O-CB 3.38Å; G70-T73 PolarHBondContact O-N 3.48Å; G70-T73 VanDerWaalsContact O-N 3.14Å; K71-T73 VanDerWaalsContact C-N 3.28Å; K71-T73 PolarHBondContact O-N 3.19Å; T73-G77 PolarHBondContact O-N 3.5Å; T73-G111 WeakPolarHBondContact CG2-O 3.43Å; T73-G111 PolarHBondContact OG1-N 3Å; T73-A114 HydrophobicContact CG2-CB 3.9Å; T73-A114 WeakPolarHBondContact O-CB 3.33Å; T73-V408 HydrophobicContact CG2-CG2 4.23Å; T73-W409 HydrophobicContact CG2-CB 3.98Å; T73-W409 HydrophobicContact CG2-CG 4.46Å |
| 74 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | G70 K71 I76 G77 L78 V328 A377 N379 L419 | G70-V74 PolarHBondContact O-N 2.89Å; K71-V74 CarbonylContact O-C 3.55Å; K71-V74 PolarHBondContact O-N 3.39Å; V74-I76 VanDerWaalsContact C-N 3.29Å; V74-I76 PolarHBondContact O-N 3.27Å; V74-G77 PolarHBondContact O-N 2.99Å; V74-L78 WeakPolarHBondContact O-CB 3.3Å; V74-L78 PolarHBondContact O-N 2.64Å; V74-V328 HydrophobicContact CB-CG1 4.42Å; V74-V328 HydrophobicContact CB-CG2 3.77Å; V74-V328 HydrophobicContact CG1-CG2 3.78Å; V74-V328 HydrophobicContact CG2-CG1 3.83Å; V74-V328 HydrophobicContact CG2-CG2 4.08Å; V74-A377 HydrophobicContact CG1-CB 4.03Å; V74-N379 HydrophobicContact CG2-CB 3.89Å; V74-L419 HydrophobicContact CG1-CD2 4.01Å |
| 75 | T | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.2 | -48.1 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 111 | V59 K71 S72 G79 I91 L93 V296 E298 | V59-T75 HydrophobicContact CB-CG2 4.4Å; V59-T75 HydrophobicContact CG2-CG2 4.19Å; K71-T75 PolarHBondContact O-N 3.34Å; K71-T75 PolarHBondContact O-OG1 3.42Å; S72-T75 PolarHBondContact O-N 3.14Å; T75-G79 PolarHBondContact O-N 3.12Å; T75-I91 HydrophobicContact CG2-CG2 4.29Å; T75-L93 HydrophobicContact CG2-CD2 3.67Å; T75-V296 HydrophobicContact CG2-CG1 3.79Å; T75-E298 HydrophobicContact CG2-CB 4.19Å; T75-E298 HydrophobicContact CG2-CG 4.37Å; T75-E298 PolarHBondContact OG1-OE2 3.37Å |
| 76 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.6 | -49 | -179.3 | -65.6 | 162 | 0 | 0 | 0 | 111 | S72 V74 L78 G79 D80 I91 L93 T109 A114 V116 T259 | S72-I76 WeakPolarHBondContact O-CD1 3.49Å; S72-I76 VanDerWaalsContact O-CG1 3.26Å; S72-I76 WeakPolarHBondContact O-CG1 3.36Å; S72-I76 PolarHBondContact O-N 3.31Å; V74-I76 VanDerWaalsContact C-N 3.29Å; V74-I76 PolarHBondContact O-N 3.27Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.35Å; I76-G79 PolarHBondContact O-N 3.35Å; I76-G79 VanDerWaalsContact O-N 3.09Å; I76-D80 PolarHBondContact O-N 3.46Å; I76-I91 HydrophobicContact CG2-CD1 4.44Å; I76-L93 HydrophobicContact CD1-CD1 3.87Å; I76-L93 HydrophobicContact CG1-CD1 3.85Å; I76-T109 WeakPolarHBondContact CD1-O 3.46Å; I76-A114 HydrophobicContact CB-CB 4.36Å; I76-A114 HydrophobicContact CG2-CB 4.2Å; I76-V116 HydrophobicContact CD1-CB 4.37Å; I76-V116 HydrophobicContact CD1-CG2 3.76Å; I76-V116 HydrophobicContact CG1-CG2 3.83Å; I76-V116 HydrophobicContact CG2-CG2 4.41Å; I76-T259 HydrophobicContact CG2-CG2 3.73Å |
| 77 | G | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T73 V74 D80 A81 | T73-G77 PolarHBondContact O-N 3.5Å; V74-G77 PolarHBondContact O-N 2.99Å; G77-D80 PolarHBondContact O-N 3.25Å; G77-A81 VanDerWaalsContact O-CB 3.25Å; G77-A81 WeakPolarHBondContact O-CB 3.47Å; G77-A81 PolarHBondContact O-N 3.07Å |
| 78 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 173 | 177.6 | 57.5 | 0 | 0 | 0 | 111.3 | I57 V59 V74 I76 D80 A81 L82 V296 V326 L419 A420 | I57-L78 HydrophobicContact CG2-CD2 4.12Å; V59-L78 HydrophobicContact CG2-CD2 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.3Å; V74-L78 PolarHBondContact O-N 2.64Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.35Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.5Å; L78-A81 PolarHBondContact O-N 2.91Å; L78-L82 HydrophobicContact CD1-CD1 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.11Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 2.97Å; L78-V296 HydrophobicContact CD2-CG1 4.05Å; L78-V296 HydrophobicContact CD2-CG2 4.46Å; L78-V296 HydrophobicContact CG-CG1 4.41Å; L78-V296 HydrophobicContact CG-CG2 4.29Å; L78-V326 HydrophobicContact CD2-CG2 4Å; L78-L419 HydrophobicContact CD1-CD2 4.17Å; L78-L419 HydrophobicContact CD1-CG 4.02Å; L78-A420 HydrophobicContact CD1-CB 4.05Å |
| 79 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T75 I76 L82 N83 | T75-G79 PolarHBondContact O-N 3.12Å; I76-G79 PolarHBondContact O-N 3.35Å; I76-G79 VanDerWaalsContact O-N 3.09Å; G79-L82 PolarHBondContact O-N 2.97Å; G79-N83 PolarHBondContact O-N 3.43Å; G79-N83 PolarHBondContact O-ND2 3Å |
| 80 | D | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 174.9 | -71.7 | -30.9 | 0 | 0 | 0 | 112.1 | I76 G77 L78 N83 K84 T259 Y261 T263 P413 | I76-D80 PolarHBondContact O-N 3.46Å; G77-D80 PolarHBondContact O-N 3.25Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.5Å; D80-N83 PolarHBondContact O-N 3.16Å; D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 PolarHBondContact O-N 2.95Å; D80-T259 VanDerWaalsContact OD1-CB 3.3Å; D80-T259 WeakPolarHBondContact OD1-CB 3.46Å; D80-T259 WeakPolarHBondContact OD1-CG2 3.41Å; D80-T259 PolarHBondContact OD1-OG1 2.92Å; D80-Y261 HydrophobicContact CB-CD2 4.29Å; D80-Y261 WeakPolarHBondContact OD2-CD2 3.4Å; D80-T263 WeakPolarHBondContact OD1-CB 3.34Å; D80-T263 PolarHBondContact OD1-OG1 2.98Å; D80-P413 HydrophobicContact CB-CB 4.05Å |
| 81 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G77 L78 K84 I85 P413 G416 A420 | G77-A81 VanDerWaalsContact O-CB 3.25Å; G77-A81 WeakPolarHBondContact O-CB 3.47Å; G77-A81 PolarHBondContact O-N 3.07Å; L78-A81 PolarHBondContact O-N 2.91Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.31Å; A81-I85 PolarHBondContact O-N 3.49Å; A81-P413 WeakPolarHBondContact CB-O 3.42Å; A81-G416 WeakPolarHBondContact CB-O 3.5Å; A81-A420 HydrophobicContact CB-CB 3.84Å |
| 82 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 175.2 | -76.1 | 163.7 | 0 | 0 | 0 | 111.7 | I57 L78 G79 K84 I85 G86 K87 T89 V296 A420 V424 | I57-L82 HydrophobicContact CD1-CD1 3.8Å; L78-L82 HydrophobicContact CD1-CD1 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.11Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 2.97Å; G79-L82 PolarHBondContact O-N 2.97Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.71Å; L82-I85 HydrophobicContact CD2-CD1 4.37Å; L82-I85 WeakPolarHBondContact O-CG1 3.14Å; L82-I85 PolarHBondContact O-N 3.14Å; L82-G86 PolarHBondContact O-N 2.94Å; L82-K87 CarbonylContact C-O 3.58Å; L82-K87 HydrophobicContact CB-CB 4.37Å; L82-K87 HydrophobicContact CD2-CB 4.49Å; L82-K87 HydrophobicContact CD2-CG 4.46Å; L82-K87 WeakPolarHBondContact O-CB 3.35Å; L82-K87 PolarHBondContact O-N 2.82Å; L82-T89 HydrophobicContact CB-CG2 4.12Å; L82-T89 WeakPolarHBondContact CB-OG1 3.19Å; L82-T89 HydrophobicContact CD1-CG2 3.93Å; L82-V296 HydrophobicContact CD1-CG2 3.63Å; L82-A420 HydrophobicContact CD2-CB 3.93Å; L82-A420 HydrophobicContact CG-CB 3.97Å; L82-V424 HydrophobicContact CD2-CG2 3.6Å |
| 83 | N | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 21 Ų | 21 | 27% | 0.267 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 173.2 | -83.1 | -57.7 | 0 | 0 | 0 | 111.8 | G79 D80 I85 G86 K87 T89 T263 | G79-N83 PolarHBondContact O-N 3.43Å; G79-N83 PolarHBondContact O-ND2 3Å; D80-N83 PolarHBondContact O-N 3.16Å; N83-I85 VanDerWaalsContact C-N 3.29Å; N83-I85 PolarHBondContact O-N 3.4Å; N83-G86 PolarHBondContact O-N 2.74Å; N83-K87 VanDerWaalsContact CA-O 3.29Å; N83-K87 WeakPolarHBondContact CA-O 3.44Å; N83-K87 PolarHBondContact N-O 2.8Å; N83-K87 PolarHBondContact OD1-O 2.88Å; N83-K87 VanDerWaalsContact OD1-O 3.11Å; N83-T89 PolarHBondContact ND2-O 2.92Å; N83-T89 PolarHBondContact OD1-N 3.38Å; N83-T263 WeakPolarHBondContact ND2-CG2 3.5Å; N83-T263 PolarHBondContact ND2-OG1 2.72Å; N83-T263 VanDerWaalsContact ND2-OG1 3.14Å |
| 84 | K | 98.2 | Very high | 98.5 | Very high | 125 Ų | 125 | 22.7 Ų | 22.7 | 54% | 0.543 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.8 | -36.3 | 177 | -175.3 | 70.9 | 172.3 | -166.7 | 0 | 112.7 | D80 A81 L82 G86 P413 D414 I417 | D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 PolarHBondContact O-N 2.95Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.31Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.71Å; K84-G86 VanDerWaalsContact C-N 3.25Å; K84-G86 PolarHBondContact O-N 3.14Å; K84-P413 HydrophobicContact CB-CB 3.95Å; K84-P413 HydrophobicContact CG-CB 4.19Å; K84-D414 WeakPolarHBondContact CE-OD1 3.28Å; K84-D414 IonicContact NZ-OD1 3.89Å; K84-I417 HydrophobicContact CG-CD1 4.38Å |
| 85 | I | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 23 Ų | 23 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 11.5 | 175.3 | 68.2 | 166.9 | 0 | 0 | 0 | 113.5 | A81 L82 N83 K87 I417 A420 K421 V424 | A81-I85 PolarHBondContact O-N 3.49Å; L82-I85 HydrophobicContact CD2-CD1 4.37Å; L82-I85 WeakPolarHBondContact O-CG1 3.14Å; L82-I85 PolarHBondContact O-N 3.14Å; N83-I85 VanDerWaalsContact C-N 3.29Å; N83-I85 PolarHBondContact O-N 3.4Å; I85-K87 HydrophobicContact CD1-CG 4.28Å; I85-K87 HydrophobicContact CG1-CG 4.15Å; I85-I417 HydrophobicContact CG2-CG1 4.3Å; I85-I417 HydrophobicContact CG2-CG2 4.01Å; I85-A420 HydrophobicContact CD1-CB 3.85Å; I85-A420 HydrophobicContact CG1-CB 4.46Å; I85-K421 HydrophobicContact CD1-CG 4.25Å; I85-V424 HydrophobicContact CD1-CG2 4.27Å |
| 86 | G | 97.9 | Very high | 98.2 | Very high | 65 Ų | 65 | 24 Ų | 24 | 67% | 0.67 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 20.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L82 N83 K84 | L82-G86 PolarHBondContact O-N 2.94Å; N83-G86 PolarHBondContact O-N 2.74Å; K84-G86 VanDerWaalsContact C-N 3.25Å; K84-G86 PolarHBondContact O-N 3.14Å |
| 87 | K | 98.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 24.5 Ų | 24.5 | 32% | 0.317 | 13% | 0.132 | S | C | . | . | trans | -97.1 | 120.5 | 170.8 | -57.6 | -52.4 | -173.3 | 176.7 | 0 | 109.1 | L82 N83 I85 T89 Y294 V424 | L82-K87 CarbonylContact C-O 3.58Å; L82-K87 HydrophobicContact CB-CB 4.37Å; L82-K87 HydrophobicContact CD2-CB 4.49Å; L82-K87 HydrophobicContact CD2-CG 4.46Å; L82-K87 WeakPolarHBondContact O-CB 3.35Å; L82-K87 PolarHBondContact O-N 2.82Å; N83-K87 VanDerWaalsContact CA-O 3.29Å; N83-K87 WeakPolarHBondContact CA-O 3.44Å; N83-K87 PolarHBondContact N-O 2.8Å; N83-K87 PolarHBondContact OD1-O 2.88Å; N83-K87 VanDerWaalsContact OD1-O 3.11Å; I85-K87 HydrophobicContact CD1-CG 4.28Å; I85-K87 HydrophobicContact CG1-CG 4.15Å; K87-T89 PolarHBondContact O-N 2.84Å; K87-T89 PolarHBondContact O-OG1 3.15Å; K87-T89 VanDerWaalsContact O-OG1 3.1Å; K87-Y294 HydrophobicContact CB-CD2 3.76Å; K87-Y294 HydrophobicContact CB-CE2 3.94Å; K87-Y294 HydrophobicContact CD-CE2 3.84Å; K87-Y294 HydrophobicContact CG-CD2 4.24Å; K87-Y294 HydrophobicContact CG-CE2 3.93Å; K87-V424 HydrophobicContact CG-CG2 4.08Å | ||
| 88 | K | 98.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 25.2 Ų | 25.2 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | trans | -65.3 | 105.4 | 179 | -174.5 | -174.3 | -177.5 | -175.2 | 0 | 109.1 | K22 N24 C291 G292 D293 Y294 | K22-K88 WeakPolarHBondContact O-CE 3.22Å; K22-K88 PolarHBondContact O-NZ 2.97Å; N24-K88 PolarHBondContact ND2-NZ 3.28Å; K88-C291 WeakPolarHBondContact CE-O 3.28Å; K88-C291 PolarHBondContact NZ-O 3.45Å; K88-G292 CarbonylContact O-C 3.44Å; K88-D293 HydrophobicContact CB-CB 4.32Å; K88-D293 WeakPolarHBondContact CB-OD2 3.25Å; K88-D293 PolarHBondContact O-N 3.02Å; K88-Y294 PolarHBondContact O-N 3.37Å; K88-Y294 VanDerWaalsContact O-N 3.12Å | ||
| 89 | T | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.3 | -171.4 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | L82 N83 K87 Y294 V296 | L82-T89 HydrophobicContact CB-CG2 4.12Å; L82-T89 WeakPolarHBondContact CB-OG1 3.19Å; L82-T89 HydrophobicContact CD1-CG2 3.93Å; N83-T89 PolarHBondContact ND2-O 2.92Å; N83-T89 PolarHBondContact OD1-N 3.38Å; K87-T89 PolarHBondContact O-N 2.84Å; K87-T89 PolarHBondContact O-OG1 3.15Å; K87-T89 VanDerWaalsContact O-OG1 3.1Å; T89-Y294 VanDerWaalsContact CA-O 3.27Å; T89-Y294 WeakPolarHBondContact CA-O 3.36Å; T89-V296 HydrophobicContact CG2-CG2 3.81Å |
| 90 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.8 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | I23 P264 F266 A288 C291 Y294 V295 V296 | I23-V90 HydrophobicContact CG2-CG2 3.56Å; V90-P264 WeakPolarHBondContact CA-O 3.29Å; V90-P264 HydrophobicContact CG1-CB 4.37Å; V90-P264 HydrophobicContact CG2-CB 4.46Å; V90-F266 HydrophobicContact CG1-CD2 3.84Å; V90-F266 HydrophobicContact CG1-CE2 3.93Å; V90-A288 HydrophobicContact CB-CB 4.01Å; V90-A288 HydrophobicContact CG1-CB 3.72Å; V90-C291 HydrophobicContact CG2-CB 4.36Å; V90-Y294 PolarHBondContact N-O 2.93Å; V90-V295 VanDerWaalsContact O-CA 3.26Å; V90-V295 WeakPolarHBondContact O-CA 3.46Å; V90-V296 PolarHBondContact O-N 3.33Å; V90-V296 VanDerWaalsContact O-N 3.08Å |
| 91 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.1 | 179.4 | -58.3 | 161.3 | 0 | 0 | 0 | 109.5 | T75 I76 L93 T259 T263 P264 A265 F266 V296 | T75-I91 HydrophobicContact CG2-CG2 4.29Å; I76-I91 HydrophobicContact CG2-CD1 4.44Å; I91-L93 HydrophobicContact CG2-CD1 4.29Å; I91-L93 HydrophobicContact CG2-CD2 3.88Å; I91-L93 HydrophobicContact CG2-CG 3.75Å; I91-T259 HydrophobicContact CD1-CG2 3.55Å; I91-T263 HydrophobicContact CD1-CG2 3.67Å; I91-T263 HydrophobicContact CG1-CG2 3.98Å; I91-P264 PolarHBondContact N-O 3.45Å; I91-A265 HydrophobicContact CB-CB 4.07Å; I91-A265 CarbonylContact O-C 3.38Å; I91-A265 WeakPolarHBondContact O-CA 3.38Å; I91-F266 PolarHBondContact O-N 3.2Å; I91-V296 CarbonylContact C-O 3.45Å; I91-V296 WeakPolarHBondContact CA-O 3.37Å |
| 92 | A | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F266 V296 T297 | A92-F266 CarbonylContact C-O 3.47Å; A92-F266 WeakPolarHBondContact CA-O 3.4Å; A92-V296 PolarHBondContact N-O 3.39Å; A92-T297 WeakPolarHBondContact O-CA 3.36Å; A92-T297 PolarHBondContact O-OG1 3.25Å |
| 93 | L | 98.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 167.7 | -176.2 | -60.5 | -179.1 | 0 | 0 | 0 | 112.1 | T75 I76 I91 V116 F266 V267 H268 N280 E298 | T75-L93 HydrophobicContact CG2-CD2 3.67Å; I76-L93 HydrophobicContact CD1-CD1 3.87Å; I76-L93 HydrophobicContact CG1-CD1 3.85Å; I91-L93 HydrophobicContact CG2-CD1 4.29Å; I91-L93 HydrophobicContact CG2-CD2 3.88Å; I91-L93 HydrophobicContact CG2-CG 3.75Å; L93-V116 HydrophobicContact CD1-CB 4.37Å; L93-V116 HydrophobicContact CD1-CG2 3.7Å; L93-F266 PolarHBondContact N-O 3.41Å; L93-V267 HydrophobicContact CB-CG2 4.34Å; L93-V267 WeakPolarHBondContact O-CA 3.07Å; L93-H268 PolarHBondContact O-N 3.07Å; L93-N280 WeakPolarHBondContact O-CB 3.27Å; L93-E298 HydrophobicContact CD2-CG 3.94Å |
| 94 | R | 97.7 | Very high | 93.3 | Very high | 51 Ų | 51 | 35 Ų | 35 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 144.9 | 173.7 | -70.9 | 170.2 | -69.6 | 144.3 | 9.5 | 111.3 | G269 G278 N280 E298 | R94-G269 CarbonylContact C-O 3.54Å; R94-G269 WeakPolarHBondContact CA-O 3.49Å; R94-G269 WeakPolarHBondContact CB-O 3.18Å; R94-G278 VanDerWaalsContact CD-O 3.32Å; R94-G278 WeakPolarHBondContact CD-O 3.43Å; R94-G278 PolarHBondContact NE-O 2.88Å; R94-N280 HydrophobicContact CG-CB 3.95Å; R94-N280 VanDerWaalsContact CG-N 3.32Å; R94-E298 IonicContact CZ-OE1 3.87Å; R94-E298 IonicContact NE-OE1 2.74Å; R94-E298 IonicContact NH2-OE1 3.84Å; R94-E298 PolarHBondContact NH2-OE1 3.14Å |
| 95 | E | 97.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 129.8 | 165.5 | -174.4 | -178.5 | 172.2 | 0 | 0 | 109.5 | F126 M130 V267 G269 | E95-F126 HydrophobicContact CG-CD1 4.15Å; E95-M130 HydrophobicContact CB-CE 3.87Å; E95-M130 HydrophobicContact CG-CE 3.85Å; E95-M130 WeakPolarHBondContact OE1-CG 3.26Å; E95-V267 HydrophobicContact CB-CG1 3.99Å; E95-G269 PolarHBondContact N-O 3.39Å |
| 96 | P | 93.4 | Very high | 89.2 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -72 | 149.5 | 173.8 | 28.9 | -31.8 | 0 | 0 | 0 | 111.7 | A108 I122 N123 | P96-A108 HydrophobicContact CB-CB 3.8Å; P96-A108 HydrophobicContact CG-CB 4.18Å; P96-I122 HydrophobicContact CG-CG2 4.01Å; P96-I122 WeakPolarHBondContact CG-O 3.39Å; P96-N123 WeakPolarHBondContact CG-OD1 3.34Å |
| 97 | S | 92.5 | Very high | 87.6 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 142.8 | 168 | 162.8 | 0 | 0 | 0 | 0 | 110.7 | G99 P100 D168 I196 | S97-G99 PolarHBondContact OG-N 2.86Å; S97-P100 WeakPolarHBondContact O-CD 3.21Å; S97-P100 WeakPolarHBondContact OG-CD 3.21Å; S97-D168 WeakPolarHBondContact CB-OD1 3.39Å; S97-D168 PolarHBondContact OG-OD1 3.35Å; S97-I196 WeakPolarHBondContact OG-CD1 3.45Å |
| 98 | L | 91 | Very high | 86.4 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.8 | -34 | 177.1 | -179.7 | 150.9 | 0 | 0 | 0 | 111.9 | V101 M102 D168 L169 | L98-V101 WeakPolarHBondContact O-CB 3.34Å; L98-V101 PolarHBondContact O-N 2.86Å; L98-V101 VanDerWaalsContact O-N 3.14Å; L98-M102 HydrophobicContact CD2-CE 3.92Å; L98-M102 HydrophobicContact CD2-SD 4.33Å; L98-D168 WeakPolarHBondContact CB-OD2 3.18Å; L98-D168 PolarHBondContact N-OD2 3.14Å; L98-L169 HydrophobicContact CD2-CD2 3.84Å |
| 99 | G | 87.6 | Confident | 86 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.9 | -52.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | S97 V101 M102 G103 D168 N170 | S97-G99 PolarHBondContact OG-N 2.86Å; G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.08Å; G99-M102 PolarHBondContact O-N 3.45Å; G99-G103 PolarHBondContact O-N 3.38Å; G99-D168 PolarHBondContact N-O 3.34Å; G99-N170 PolarHBondContact O-ND2 2.89Å |
| 100 | P | 87.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 27.8 Ų | 27.8 | 33% | 0.331 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.4 | -32.1 | 175.8 | -29.3 | 36.8 | 0 | 0 | 0 | 115.1 | S97 M102 G103 I104 | S97-P100 WeakPolarHBondContact O-CD 3.21Å; S97-P100 WeakPolarHBondContact OG-CD 3.21Å; P100-M102 VanDerWaalsContact C-N 3.26Å; P100-M102 PolarHBondContact O-N 3.43Å; P100-G103 WeakPolarHBondContact O-CA 3.16Å; P100-G103 PolarHBondContact O-N 3.01Å; P100-I104 PolarHBondContact O-N 3.27Å; P100-I104 VanDerWaalsContact O-N 3.16Å |
| 101 | V | 87.7 | Confident | 85.5 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | -180 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L98 G99 G103 N123 M545 L556 | L98-V101 WeakPolarHBondContact O-CB 3.34Å; L98-V101 PolarHBondContact O-N 2.86Å; L98-V101 VanDerWaalsContact O-N 3.14Å; G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.08Å; V101-G103 VanDerWaalsContact C-N 3.32Å; V101-G103 PolarHBondContact O-N 3.48Å; V101-N123 HydrophobicContact CG2-CB 4.09Å; V101-N123 WeakPolarHBondContact CG2-O 3.34Å; V101-M545 HydrophobicContact CG1-CE 3.94Å; V101-M545 WeakPolarHBondContact O-CE 3.49Å; V101-L556 HydrophobicContact CG1-CD2 3.94Å |
| 102 | M | 87.1 | Confident | 85.2 | Confident | 68 Ų | 68 | 28 Ų | 28 | 34% | 0.335 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -76.5 | -15.6 | 176.1 | -64.8 | -173.5 | 178.6 | 0 | 0 | 114.3 | L98 G99 P100 L169 P540 A541 A542 M545 | L98-M102 HydrophobicContact CD2-CE 3.92Å; L98-M102 HydrophobicContact CD2-SD 4.33Å; G99-M102 PolarHBondContact O-N 3.45Å; P100-M102 VanDerWaalsContact C-N 3.26Å; P100-M102 PolarHBondContact O-N 3.43Å; M102-L169 HydrophobicContact SD-CD2 4.24Å; M102-P540 WeakPolarHBondContact O-CB 3.4Å; M102-A541 PolarHBondContact O-N 2.97Å; M102-A541 VanDerWaalsContact O-N 3.09Å; M102-A542 HydrophobicContact CB-CB 4.24Å; M102-A542 PolarHBondContact O-N 2.57Å; M102-M545 HydrophobicContact CG-SD 4.44Å |
| 103 | G | 84.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -95.1 | -90.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G99 P100 V101 A541 | G99-G103 PolarHBondContact O-N 3.38Å; P100-G103 WeakPolarHBondContact O-CA 3.16Å; P100-G103 PolarHBondContact O-N 3.01Å; V101-G103 VanDerWaalsContact C-N 3.32Å; V101-G103 PolarHBondContact O-N 3.48Å; G103-A541 PolarHBondContact O-N 3.28Å; G103-A541 VanDerWaalsContact O-N 3.15Å |
| 104 | I | 68.4 | Low | 85.1 | Confident | 129 Ų | 129 | 32.1 Ų | 32.1 | 66% | 0.662 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -128.7 | 118.8 | -177.1 | -58.4 | 176.4 | 0 | 0 | 0 | 107.3 | P100 P537 | P100-I104 PolarHBondContact O-N 3.27Å; P100-I104 VanDerWaalsContact O-N 3.16Å; I104-P537 HydrophobicContact CD1-CB 4.24Å; I104-P537 HydrophobicContact CD1-CG 4.39Å; I104-P537 HydrophobicContact CG1-CB 4.23Å; I104-P537 HydrophobicContact CG1-CG 3.85Å |
| 105 | K | 58.1 | Low | 85.1 | Confident | 84 Ų | 84 | 29.7 Ų | 29.7 | 37% | 0.365 | 18% | 0.181 | S | C | . | . | trans | -63.3 | 135.5 | -172.6 | -90.4 | 176.2 | 179.8 | 172 | 0 | 114.2 | G555 F557 | K105-G555 VanDerWaalsContact CE-O 3.29Å; K105-G555 WeakPolarHBondContact CE-O 3.28Å; K105-G555 PolarHBondContact NZ-O 3.17Å; K105-F557 HydrophobicContact CB-CD1 4.42Å; K105-F557 HydrophobicContact CB-CE1 4.37Å; K105-F557 HydrophobicContact CD-CD1 3.87Å; K105-F557 HydrophobicContact CD-CE1 4.35Å; K105-F557 HydrophobicContact CG-CD1 3.9Å; K105-F557 HydrophobicContact CG-CE1 3.87Å; K105-F557 PolarHBondContact NZ-OXT 2.93Å | ||
| 106 | G | 53.7 | Low | 85.1 | Confident | 65 Ų | 65 | 29.4 Ų | 29.4 | 67% | 0.67 | 18% | 0.179 | S | C | * | . | trans | -155.1 | 121.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 107 | G | 62.9 | Low | 85.3 | Confident | 26 Ų | 26 | 28.5 Ų | 28.5 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | trans | -77.7 | 119.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T109 | G107-T109 PolarHBondContact O-N 2.93Š| ||
| 108 | A | 72.8 | Confident | 85.4 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 26% | 0.256 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -6.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P96 G110 | P96-A108 HydrophobicContact CB-CB 3.8Å; P96-A108 HydrophobicContact CG-CB 4.18Å; A108-G110 PolarHBondContact O-N 3.3Å |
| 109 | T | 90.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 13 | -177.8 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | I76 G107 Q115 V116 M119 I122 | I76-T109 WeakPolarHBondContact CD1-O 3.46Å; G107-T109 PolarHBondContact O-N 2.93Å; T109-Q115 CarbonylContact O-C 3.58Å; T109-Q115 WeakPolarHBondContact O-CA 3.45Å; T109-V116 PolarHBondContact O-N 3.47Å; T109-M119 HydrophobicContact CG2-CG 4.44Å; T109-M119 WeakPolarHBondContact OG1-CE 3.42Å; T109-I122 HydrophobicContact CG2-CB 3.85Å; T109-I122 HydrophobicContact CG2-CD1 4.05Å; T109-I122 HydrophobicContact CG2-CG2 3.47Å; T109-I122 VanDerWaalsContact CG2-CG2 3.47Å |
| 110 | G | 93.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.5 | -153.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A108 A114 | A108-G110 PolarHBondContact O-N 3.3Å; G110-A114 WeakPolarHBondContact CA-O 3.31Å |
| 111 | G | 92.9 | Very high | 86 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 160.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T73 Y113 A114 | T73-G111 WeakPolarHBondContact CG2-O 3.43Å; T73-G111 PolarHBondContact OG1-N 3Å; G111-Y113 PolarHBondContact O-N 3.02Å; G111-A114 PolarHBondContact N-O 2.85Å; G111-A114 CarbonylContact O-C 3.52Å; G111-A114 PolarHBondContact O-N 3.25Å; G111-A114 VanDerWaalsContact O-N 3.11Å |
| 112 | G | 94.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -130.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D4 Q115 W409 | D4-G112 WeakPolarHBondContact OD1-CA 3.46Å; D4-G112 PolarHBondContact OD1-N 2.97Å; G112-Q115 WeakPolarHBondContact O-CG 3.37Å; G112-Q115 PolarHBondContact O-NE2 2.84Å; G112-W409 CarbonylContact C-O 3.52Å; G112-W409 WeakPolarHBondContact CA-O 3.32Å; G112-W409 VanDerWaalsContact N-CD1 3.31Å; G112-W409 VanDerWaalsContact N-NE1 3.12Å |
| 113 | Y | 96.9 | Very high | 86.5 | Confident | 90 Ų | 90 | 27.3 Ų | 27.3 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.6 | 175.8 | -70.8 | -83.5 | 0 | 0 | 0 | 113.8 | I7 G111 I260 Y261 W409 E410 | I7-Y113 HydrophobicContact CD1-CD2 4.41Å; I7-Y113 HydrophobicContact CD1-CE2 4.21Å; I7-Y113 HydrophobicContact CG2-CD1 4.14Å; I7-Y113 HydrophobicContact CG2-CE1 4.19Å; G111-Y113 PolarHBondContact O-N 3.02Å; Y113-I260 WeakPolarHBondContact O-CD1 3.34Å; Y113-Y261 WeakPolarHBondContact O-CE2 3.4Å; Y113-W409 PolarHBondContact N-O 2.85Å; Y113-E410 WeakPolarHBondContact CD2-O 3.42Å |
| 114 | A | 97.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 82.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | T73 I76 G110 G111 V408 | T73-A114 HydrophobicContact CG2-CB 3.9Å; T73-A114 WeakPolarHBondContact O-CB 3.33Å; I76-A114 HydrophobicContact CB-CB 4.36Å; I76-A114 HydrophobicContact CG2-CB 4.2Å; G110-A114 WeakPolarHBondContact CA-O 3.31Å; G111-A114 PolarHBondContact N-O 2.85Å; G111-A114 CarbonylContact O-C 3.52Å; G111-A114 PolarHBondContact O-N 3.25Å; G111-A114 VanDerWaalsContact O-N 3.11Å; A114-V408 HydrophobicContact CB-CB 4.26Å; A114-V408 HydrophobicContact CB-CG2 4.27Å |
| 115 | Q | 97.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.6 | -178.5 | -54.6 | -179.3 | 20.9 | 0 | 0 | 112.9 | D4 T109 G112 L117 M119 T259 I260 | D4-Q115 PolarHBondContact O-NE2 2.85Å; D4-Q115 PolarHBondContact O-OE1 3.28Å; T109-Q115 CarbonylContact O-C 3.58Å; T109-Q115 WeakPolarHBondContact O-CA 3.45Å; G112-Q115 WeakPolarHBondContact O-CG 3.37Å; G112-Q115 PolarHBondContact O-NE2 2.84Å; Q115-L117 HydrophobicContact CB-CD2 4.22Å; Q115-M119 HydrophobicContact CG-CE 4.24Å; Q115-T259 CarbonylContact O-C 3.06Å; Q115-T259 WeakPolarHBondContact O-CA 3.24Å; Q115-T259 WeakPolarHBondContact O-CB 3.26Å; Q115-I260 HydrophobicContact CB-CD1 3.74Å; Q115-I260 HydrophobicContact CB-CG1 4.17Å; Q115-I260 HydrophobicContact CG-CD1 3.89Å; Q115-I260 PolarHBondContact O-N 3.33Å; Q115-I260 VanDerWaalsContact O-N 3.11Å |
| 116 | V | 97.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 135 | 164.3 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | I76 L93 T109 I122 V257 T259 A265 V267 | I76-V116 HydrophobicContact CD1-CB 4.37Å; I76-V116 HydrophobicContact CD1-CG2 3.76Å; I76-V116 HydrophobicContact CG1-CG2 3.83Å; I76-V116 HydrophobicContact CG2-CG2 4.41Å; L93-V116 HydrophobicContact CD1-CB 4.37Å; L93-V116 HydrophobicContact CD1-CG2 3.7Å; T109-V116 PolarHBondContact O-N 3.47Å; V116-I122 HydrophobicContact CG1-CD1 3.76Å; V116-V257 HydrophobicContact CG1-CB 4.23Å; V116-V257 HydrophobicContact CG1-CG2 3.35Å; V116-T259 HydrophobicContact CG2-CG2 4.08Å; V116-A265 HydrophobicContact CG1-CB 4.17Å; V116-A265 HydrophobicContact CG2-CB 3.95Å; V116-V267 HydrophobicContact CG1-CG2 3.99Å |
| 117 | L | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.8 | -170.3 | -61.1 | -175 | 0 | 0 | 0 | 111.2 | S8 T11 L13 Q115 M119 Q258 I260 | S8-L117 VanDerWaalsContact OG-CD2 3.27Å; S8-L117 WeakPolarHBondContact OG-CD2 3.23Å; T11-L117 HydrophobicContact CG2-CD1 3.77Å; L13-L117 HydrophobicContact CD1-CB 4.49Å; L13-L117 HydrophobicContact CD2-CB 3.63Å; L13-L117 HydrophobicContact CD2-CD1 3.74Å; L13-L117 HydrophobicContact CD2-CG 4.34Å; Q115-L117 HydrophobicContact CB-CD2 4.22Å; L117-M119 HydrophobicContact CD2-CB 3.83Å; L117-Q258 PolarHBondContact N-O 3.21Å; L117-I260 HydrophobicContact CD1-CG1 3.71Å; L117-I260 HydrophobicContact CG-CG1 4.27Å |
| 118 | P | 95.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | cis | -76.2 | 121.2 | 2.7 | 27.5 | -32.5 | 0 | 0 | 0 | 113.6 | L13 K37 E120 D121 I122 | L13-P118 HydrophobicContact CD1-CB 4.18Å; K37-P118 HydrophobicContact CD-CG 3.99Å; K37-P118 HydrophobicContact CG-CG 3.92Å; P118-E120 VanDerWaalsContact C-N 3.35Å; P118-E120 PolarHBondContact O-N 2.64Å; P118-D121 HydrophobicContact CB-CB 4.43Å; P118-D121 HydrophobicContact CG-CB 3.95Å; P118-D121 WeakPolarHBondContact CG-OD2 3.19Å; P118-D121 PolarHBondContact O-N 3.18Å; P118-I122 WeakPolarHBondContact O-CD1 3.26Å; P118-I122 VanDerWaalsContact O-CG1 3.3Å; P118-I122 WeakPolarHBondContact O-CG1 3.38Å; P118-I122 PolarHBondContact O-N 3.39Å | ||
| 119 | M | 92.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | -174.3 | 176.4 | -176.4 | -79.8 | 0 | 0 | 112.7 | D4 I5 T109 Q115 L117 I122 N123 F557 | D4-M119 HydrophobicContact CB-CE 4.22Å; I5-M119 HydrophobicContact CD1-SD 4.18Å; T109-M119 HydrophobicContact CG2-CG 4.44Å; T109-M119 WeakPolarHBondContact OG1-CE 3.42Å; Q115-M119 HydrophobicContact CG-CE 4.24Å; L117-M119 HydrophobicContact CD2-CB 3.83Å; M119-I122 PolarHBondContact O-N 2.96Å; M119-N123 WeakPolarHBondContact CG-ND2 3.45Å; M119-N123 WeakPolarHBondContact O-CB 3.39Å; M119-N123 PolarHBondContact O-N 3.33Å; M119-N123 VanDerWaalsContact O-N 3.13Å; M119-N123 PolarHBondContact O-ND2 3.43Å; M119-F557 HydrophobicContact CG-CD2 4.1Å; M119-F557 HydrophobicContact CG-CE2 4.32Å; M119-F557 HydrophobicContact SD-CB 4.27Å; M119-F557 HydrophobicContact SD-CD2 3.56Å; M119-F557 VanDerWaalsContact SD-CD2 3.56Å; M119-F557 HydrophobicContact SD-CE2 4.33Å; M119-F557 HydrophobicContact SD-CG 4.15Å |
| 120 | E | 90.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 22 Ų | 22 | 28% | 0.28 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -58.9 | -53.3 | 179.4 | -179.7 | -179.8 | 156.9 | 0 | 0 | 111 | P118 I122 N123 L124 A553 | P118-E120 VanDerWaalsContact C-N 3.35Å; P118-E120 PolarHBondContact O-N 2.64Å; E120-I122 PolarHBondContact O-N 2.98Å; E120-N123 PolarHBondContact O-N 2.91Å; E120-L124 HydrophobicContact CG-CD1 3.92Å; E120-L124 WeakPolarHBondContact O-CG 3.39Å; E120-L124 PolarHBondContact O-N 3.37Å; E120-A553 VanDerWaalsContact CD-CB 3.44Å; E120-A553 HydrophobicContact CG-CB 3.99Å; E120-A553 WeakPolarHBondContact OE2-CB 3.36Å |
| 121 | D | 94.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 25.7 Ų | 25.7 | 26% | 0.262 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | -178.8 | -60.1 | -16.5 | 0 | 0 | 0 | 111.3 | K37 P118 N123 L124 F126 | K37-D121 HydrophobicContact CD-CB 3.86Å; K37-D121 VanDerWaalsContact CE-OD2 3.32Å; K37-D121 WeakPolarHBondContact CE-OD2 3.36Å; K37-D121 IonicContact NZ-OD2 2.77Å; K37-D121 PolarHBondContact NZ-OD2 3.17Å; P118-D121 HydrophobicContact CB-CB 4.43Å; P118-D121 HydrophobicContact CG-CB 3.95Å; P118-D121 WeakPolarHBondContact CG-OD2 3.19Å; P118-D121 PolarHBondContact O-N 3.18Å; D121-N123 PolarHBondContact O-N 3.11Å; D121-L124 PolarHBondContact O-N 3.47Å; D121-L124 VanDerWaalsContact O-N 3.14Å; D121-F126 HydrophobicContact CB-CD2 4.5Å; D121-F126 WeakPolarHBondContact O-CA 3.48Å; D121-F126 WeakPolarHBondContact O-CB 3.12Å; D121-F126 PolarHBondContact O-N 3.15Å |
| 122 | I | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.2 | -34.2 | -178.2 | -65.6 | 163.6 | 0 | 0 | 0 | 111.6 | P96 T109 V116 P118 M119 E120 F126 V257 V267 | P96-I122 HydrophobicContact CG-CG2 4.01Å; P96-I122 WeakPolarHBondContact CG-O 3.39Å; T109-I122 HydrophobicContact CG2-CB 3.85Å; T109-I122 HydrophobicContact CG2-CD1 4.05Å; T109-I122 HydrophobicContact CG2-CG2 3.47Å; T109-I122 VanDerWaalsContact CG2-CG2 3.47Å; V116-I122 HydrophobicContact CG1-CD1 3.76Å; P118-I122 WeakPolarHBondContact O-CD1 3.26Å; P118-I122 VanDerWaalsContact O-CG1 3.3Å; P118-I122 WeakPolarHBondContact O-CG1 3.38Å; P118-I122 PolarHBondContact O-N 3.39Å; M119-I122 PolarHBondContact O-N 2.96Å; E120-I122 PolarHBondContact O-N 2.98Å; I122-F126 HydrophobicContact CB-CD2 4.45Å; I122-F126 HydrophobicContact CG1-CD2 3.85Å; I122-F126 HydrophobicContact CG1-CE2 3.7Å; I122-F126 HydrophobicContact CG1-CZ 4.27Å; I122-V257 HydrophobicContact CD1-CG2 4.46Å; I122-V267 HydrophobicContact CG2-CG1 4.19Å |
| 123 | N | 91.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -88.8 | -3.2 | -179.5 | -73.6 | -74.4 | 0 | 0 | 0 | 113.9 | P96 V101 M119 E120 D121 L556 F557 | P96-N123 WeakPolarHBondContact CG-OD1 3.34Å; V101-N123 HydrophobicContact CG2-CB 4.09Å; V101-N123 WeakPolarHBondContact CG2-O 3.34Å; M119-N123 WeakPolarHBondContact CG-ND2 3.45Å; M119-N123 WeakPolarHBondContact O-CB 3.39Å; M119-N123 PolarHBondContact O-N 3.33Å; M119-N123 VanDerWaalsContact O-N 3.13Å; M119-N123 PolarHBondContact O-ND2 3.43Å; E120-N123 PolarHBondContact O-N 2.91Å; D121-N123 PolarHBondContact O-N 3.11Å; N123-L556 HydrophobicContact CB-CD2 4.08Å; N123-F557 HydrophobicContact CB-CE2 3.95Å; N123-F557 HydrophobicContact CB-CZ 4.25Å; N123-F557 VanDerWaalsContact CG-CE2 3.45Å; N123-F557 VanDerWaalsContact ND2-CE2 3.32Å; N123-F557 WeakPolarHBondContact ND2-CE2 3.16Å; N123-F557 WeakPolarHBondContact OD1-CZ 3.42Å |
| 124 | L | 92.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 23.2 Ų | 23.2 | 27% | 0.267 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -109.8 | 179.4 | -67 | 177.9 | 0 | 0 | 0 | 110.7 | E120 D121 | E120-L124 HydrophobicContact CG-CD1 3.92Å; E120-L124 WeakPolarHBondContact O-CG 3.39Å; E120-L124 PolarHBondContact O-N 3.37Å; D121-L124 PolarHBondContact O-N 3.47Å; D121-L124 VanDerWaalsContact O-N 3.14Å |
| 125 | H | 95.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 26.9 Ų | 26.9 | 52% | 0.519 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15.7 | -175.4 | -55.8 | -42.2 | 0 | 0 | 0 | 113 | T127 G128 H131 | H125-T127 PolarHBondContact O-N 2.8Å; H125-T127 VanDerWaalsContact O-N 3.11Å; H125-G128 WeakPolarHBondContact O-CA 3.24Å; H125-G128 PolarHBondContact O-N 3.26Å; H125-H131 AromaticContact CG-NE2 3.71Å; H125-H131 AromaticContact ND1-CE1 3.74Å; H125-H131 AromaticContact ND1-NE2 3.24Å; H125-H131 PolarHBondContact ND1-NE2 2.79Å |
| 126 | F | 97.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | -111.6 | -176.5 | -168.7 | -143.7 | 0 | 0 | 0 | 113.2 | K37 E95 D121 I122 N255 V257 V267 | K37-F126 HydrophobicContact CD-CD2 3.71Å; K37-F126 HydrophobicContact CD-CE2 3.63Å; K37-F126 HydrophobicContact CG-CE2 4.24Å; E95-F126 HydrophobicContact CG-CD1 4.15Å; D121-F126 HydrophobicContact CB-CD2 4.5Å; D121-F126 WeakPolarHBondContact O-CA 3.48Å; D121-F126 WeakPolarHBondContact O-CB 3.12Å; D121-F126 PolarHBondContact O-N 3.15Å; I122-F126 HydrophobicContact CB-CD2 4.45Å; I122-F126 HydrophobicContact CG1-CD2 3.85Å; I122-F126 HydrophobicContact CG1-CE2 3.7Å; I122-F126 HydrophobicContact CG1-CZ 4.27Å; F126-N255 HydrophobicContact CE1-CB 3.43Å; F126-N255 VanDerWaalsContact CE1-CB 3.43Å; F126-N255 VanDerWaalsContact CE1-ND2 3.32Å; F126-N255 WeakPolarHBondContact CE1-ND2 3.48Å; F126-N255 HydrophobicContact CZ-CB 3.41Å; F126-N255 VanDerWaalsContact CZ-CB 3.41Å; F126-V257 HydrophobicContact CE2-CG1 3.71Å; F126-V257 HydrophobicContact CZ-CG1 3.82Å; F126-V267 HydrophobicContact CE1-CB 3.98Å; F126-V267 HydrophobicContact CE1-CG1 3.95Å; F126-V267 HydrophobicContact CZ-CB 4.04Å; F126-V267 HydrophobicContact CZ-CG1 4.37Å |
| 127 | T | 98.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 27 Ų | 27 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 3.1 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 113 | H33 H125 D129 N255 | H33-T127 HydrophobicContact CB-CG2 4.17Å; H125-T127 PolarHBondContact O-N 2.8Å; H125-T127 VanDerWaalsContact O-N 3.11Å; T127-D129 PolarHBondContact OG1-OD1 2.97Å; T127-N255 WeakPolarHBondContact CB-OD1 3.26Å; T127-N255 HydrophobicContact CG2-CB 4.27Å; T127-N255 WeakPolarHBondContact CG2-OD1 3.47Å; T127-N255 PolarHBondContact OG1-ND2 2.91Å; T127-N255 PolarHBondContact OG1-OD1 3.37Å |
| 128 | G | 98.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 93.2 | 8.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | H125 M130 H131 A132 | H125-G128 WeakPolarHBondContact O-CA 3.24Å; H125-G128 PolarHBondContact O-N 3.26Å; G128-M130 PolarHBondContact O-N 3.28Å; G128-H131 WeakPolarHBondContact O-CB 3.49Å; G128-H131 PolarHBondContact O-N 2.69Å; G128-H131 VanDerWaalsContact O-N 3.1Å; G128-A132 PolarHBondContact O-N 2.94Å |
| 129 | D | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | -175 | -65.5 | -7.3 | 0 | 0 | 0 | 112.2 | K39 T127 H131 A132 I133 A251 N255 H268 | K39-D129 VanDerWaalsContact CE-OD1 3.25Å; K39-D129 WeakPolarHBondContact CE-OD1 3.41Å; K39-D129 IonicContact NZ-OD1 3.95Å; K39-D129 PolarHBondContact NZ-OD1 3.12Å; K39-D129 IonicContact NZ-OD2 3.41Å; K39-D129 PolarHBondContact NZ-OD2 2.82Å; T127-D129 PolarHBondContact OG1-OD1 2.97Å; D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.1Å; D129-A132 WeakPolarHBondContact O-CB 3.44Å; D129-A132 PolarHBondContact O-N 2.79Å; D129-I133 WeakPolarHBondContact O-CG1 3.42Å; D129-I133 PolarHBondContact O-N 3.25Å; D129-A251 HydrophobicContact CB-CB 4.34Å; D129-A251 WeakPolarHBondContact OD1-CA 3.33Å; D129-N255 PolarHBondContact OD2-ND2 2.96Å; D129-H268 IonicContact OD2-CD2 3.85Å; D129-H268 PolarHBondContact OD2-CD2 3.03Å; D129-H268 IonicContact OD2-NE2 2.92Å |
| 130 | M | 97.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -39.9 | 174.3 | -66.2 | -66.5 | 169.2 | 0 | 0 | 111.9 | E95 G128 I133 T134 T197 V198 M203 | E95-M130 HydrophobicContact CB-CE 3.87Å; E95-M130 HydrophobicContact CG-CE 3.85Å; E95-M130 WeakPolarHBondContact OE1-CG 3.26Å; G128-M130 PolarHBondContact O-N 3.28Å; M130-I133 PolarHBondContact O-N 3.38Å; M130-T134 PolarHBondContact O-N 3.14Å; M130-T134 PolarHBondContact O-OG1 2.89Å; M130-T197 HydrophobicContact SD-CG2 4.41Å; M130-V198 HydrophobicContact CE-CG1 3.7Å; M130-V198 HydrophobicContact SD-CG1 3.6Å; M130-M203 HydrophobicContact CE-CE 3.38Å; M130-M203 HydrophobicContact SD-CE 3.23Å; M130-M203 WeakPolarHBondContact SD-CE 3.46Å |
| 131 | H | 98.5 | Very high | 97.5 | Very high | 85 Ų | 85 | 27 Ų | 27 | 39% | 0.394 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 178.3 | -61.8 | -51.2 | 0 | 0 | 0 | 112.1 | H125 G128 D129 I133 T134 T135 | H125-H131 AromaticContact CG-NE2 3.71Å; H125-H131 AromaticContact ND1-CE1 3.74Å; H125-H131 AromaticContact ND1-NE2 3.24Å; H125-H131 PolarHBondContact ND1-NE2 2.79Å; G128-H131 WeakPolarHBondContact O-CB 3.49Å; G128-H131 PolarHBondContact O-N 2.69Å; G128-H131 VanDerWaalsContact O-N 3.1Å; D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.1Å; H131-I133 VanDerWaalsContact C-N 3.34Å; H131-T134 PolarHBondContact O-N 3.13Å; H131-T135 VanDerWaalsContact O-CB 3.32Å; H131-T135 WeakPolarHBondContact O-CB 3.34Å; H131-T135 PolarHBondContact O-N 3.14Å; H131-T135 PolarHBondContact O-OG1 2.8Å |
| 132 | A | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G128 D129 T135 A136 L248 A251 | G128-A132 PolarHBondContact O-N 2.94Å; D129-A132 WeakPolarHBondContact O-CB 3.44Å; D129-A132 PolarHBondContact O-N 2.79Å; A132-T135 PolarHBondContact O-N 2.87Å; A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 3.09Å; A132-L248 HydrophobicContact CB-CD2 4.3Å; A132-A251 HydrophobicContact CB-CB 3.53Å |
| 133 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.8 | -65.2 | 166.3 | 0 | 0 | 0 | 111.2 | D129 M130 H131 T135 A136 N137 T197 I202 M203 L206 L248 | D129-I133 WeakPolarHBondContact O-CG1 3.42Å; D129-I133 PolarHBondContact O-N 3.25Å; M130-I133 PolarHBondContact O-N 3.38Å; H131-I133 VanDerWaalsContact C-N 3.34Å; I133-T135 VanDerWaalsContact C-N 3.29Å; I133-T135 PolarHBondContact O-N 2.86Å; I133-A136 PolarHBondContact O-N 3.18Å; I133-N137 WeakPolarHBondContact O-CB 3.48Å; I133-N137 PolarHBondContact O-N 3.37Å; I133-T197 HydrophobicContact CB-CG2 4.06Å; I133-T197 HydrophobicContact CG2-CG2 3.74Å; I133-I202 HydrophobicContact CG1-CG2 4.47Å; I133-I202 HydrophobicContact CG2-CB 4.26Å; I133-I202 HydrophobicContact CG2-CG2 4.02Å; I133-M203 HydrophobicContact CD1-CE 3.21Å; I133-M203 HydrophobicContact CD1-SD 3.78Å; I133-M203 HydrophobicContact CG2-CB 4.33Å; I133-L206 HydrophobicContact CD1-CD1 4.03Å; I133-L206 HydrophobicContact CG1-CD1 4.13Å; I133-L248 HydrophobicContact CG1-CD2 3.92Å |
| 134 | T | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111 | M130 H131 N137 N138 V166 T197 | M130-T134 PolarHBondContact O-N 3.14Å; M130-T134 PolarHBondContact O-OG1 2.89Å; H131-T134 PolarHBondContact O-N 3.13Å; T134-N137 PolarHBondContact O-N 3.34Å; T134-N138 WeakPolarHBondContact O-CB 3.43Å; T134-N138 PolarHBondContact O-N 3.36Å; T134-N138 PolarHBondContact O-ND2 2.81Å; T134-V166 HydrophobicContact CG2-CG2 4.29Å; T134-T197 VanDerWaalsContact OG1-CG2 3.27Å; T134-T197 WeakPolarHBondContact OG1-CG2 3.39Å; T134-T197 PolarHBondContact OG1-OG1 3.34Å |
| 135 | T | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.9 | -47.3 | -179 | -59.2 | 0 | 0 | 0 | 0 | 111 | H131 A132 I133 N137 N138 A139 V247 | H131-T135 VanDerWaalsContact O-CB 3.32Å; H131-T135 WeakPolarHBondContact O-CB 3.34Å; H131-T135 PolarHBondContact O-N 3.14Å; H131-T135 PolarHBondContact O-OG1 2.8Å; A132-T135 PolarHBondContact O-N 2.87Å; I133-T135 VanDerWaalsContact C-N 3.29Å; I133-T135 PolarHBondContact O-N 2.86Å; T135-N137 PolarHBondContact O-N 2.87Å; T135-N138 PolarHBondContact O-N 3.48Å; T135-A139 WeakPolarHBondContact O-CB 3.34Å; T135-A139 PolarHBondContact O-N 3.38Å; T135-V247 HydrophobicContact CG2-CG1 3.88Å |
| 136 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A132 I133 N138 A139 L140 I202 L244 V247 L248 | A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 3.09Å; I133-A136 PolarHBondContact O-N 3.18Å; A136-N138 PolarHBondContact O-N 2.89Å; A136-A139 PolarHBondContact O-N 2.78Å; A136-L140 PolarHBondContact O-N 3.2Å; A136-I202 HydrophobicContact CB-CD1 3.96Å; A136-I202 HydrophobicContact CB-CG2 4.49Å; A136-L244 WeakPolarHBondContact O-CD2 3.42Å; A136-V247 HydrophobicContact CB-CB 4.38Å; A136-V247 HydrophobicContact CB-CG1 4.01Å; A136-L248 HydrophobicContact CB-CD1 4.09Å; A136-L248 HydrophobicContact CB-CD2 3.95Å; A136-L248 HydrophobicContact CB-CG 3.89Å |
| 137 | N | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 178.8 | -172.5 | 107.7 | 0 | 0 | 0 | 111.6 | I133 T134 T135 L140 S141 W163 K164 V166 S200 I202 | I133-N137 WeakPolarHBondContact O-CB 3.48Å; I133-N137 PolarHBondContact O-N 3.37Å; T134-N137 PolarHBondContact O-N 3.34Å; T135-N137 PolarHBondContact O-N 2.87Å; N137-L140 WeakPolarHBondContact O-CB 3.4Å; N137-L140 PolarHBondContact O-N 2.9Å; N137-S141 PolarHBondContact O-N 2.84Å; N137-S141 VanDerWaalsContact O-N 3.08Å; N137-S141 PolarHBondContact O-OG 3.23Å; N137-W163 HydrophobicContact CB-CZ2 4.35Å; N137-W163 PolarHBondContact O-NE1 3.08Å; N137-W163 WeakPolarHBondContact OD1-CZ2 3.46Å; N137-K164 PolarHBondContact ND2-O 2.76Å; N137-V166 HydrophobicContact CB-CG2 3.54Å; N137-S200 WeakPolarHBondContact OD1-CB 3.1Å; N137-S200 PolarHBondContact OD1-OG 3.35Å; N137-I202 HydrophobicContact CB-CD1 3.99Å |
| 138 | N | 98.9 | Very high | 98.6 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 24% | 0.235 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.7 | -28.1 | -177.3 | -68.8 | -22.3 | 0 | 0 | 0 | 112.4 | T134 T135 A136 L140 S141 A142 R165 V166 | T134-N138 WeakPolarHBondContact O-CB 3.43Å; T134-N138 PolarHBondContact O-N 3.36Å; T134-N138 PolarHBondContact O-ND2 2.81Å; T135-N138 PolarHBondContact O-N 3.48Å; A136-N138 PolarHBondContact O-N 2.89Å; N138-L140 VanDerWaalsContact C-N 3.35Å; N138-S141 PolarHBondContact O-N 3.37Å; N138-A142 WeakPolarHBondContact O-CB 3.42Å; N138-A142 PolarHBondContact O-N 2.92Å; N138-R165 WeakPolarHBondContact OD1-CA 3.47Å; N138-V166 PolarHBondContact ND2-O 3.11Å; N138-V166 PolarHBondContact OD1-N 2.72Å; N138-V166 PolarHBondContact OD1-O 2.7Å |
| 139 | A | 98.8 | Very high | 98.6 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 26% | 0.256 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T135 A136 S141 A142 L143 L244 | T135-A139 WeakPolarHBondContact O-CB 3.34Å; T135-A139 PolarHBondContact O-N 3.38Å; A136-A139 PolarHBondContact O-N 2.78Å; A139-S141 PolarHBondContact O-N 2.91Å; A139-A142 PolarHBondContact O-N 3.13Å; A139-L143 WeakPolarHBondContact O-CB 3.42Å; A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 WeakPolarHBondContact O-CG 3.37Å; A139-L143 PolarHBondContact O-N 2.92Å; A139-L244 HydrophobicContact CB-CD2 4.23Å |
| 140 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 174 | 178.1 | 53.2 | 0 | 0 | 0 | 111.9 | A136 N137 N138 A142 L143 L144 W163 V224 V235 L238 V240 L244 | A136-L140 PolarHBondContact O-N 3.2Å; N137-L140 WeakPolarHBondContact O-CB 3.4Å; N137-L140 PolarHBondContact O-N 2.9Å; N138-L140 VanDerWaalsContact C-N 3.35Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.35Å; L140-L143 PolarHBondContact O-N 2.96Å; L140-L144 WeakPolarHBondContact O-CB 3.23Å; L140-L144 PolarHBondContact O-N 3.28Å; L140-W163 HydrophobicContact CD2-CD2 4.05Å; L140-W163 HydrophobicContact CD2-CH2 4.22Å; L140-W163 HydrophobicContact CD2-CZ2 3.69Å; L140-W163 HydrophobicContact CG-CZ2 4.5Å; L140-V224 HydrophobicContact CD1-CG1 4.21Å; L140-V224 HydrophobicContact CD2-CG1 3.84Å; L140-V224 HydrophobicContact CG-CG1 4.2Å; L140-V235 HydrophobicContact CD1-CG2 3.77Å; L140-V235 HydrophobicContact CD2-CG2 3.5Å; L140-V235 HydrophobicContact CG-CG2 4.3Å; L140-L238 HydrophobicContact CD1-CD1 4.07Å; L140-V240 HydrophobicContact CD1-CG2 4.14Å; L140-L244 HydrophobicContact CB-CD1 4.09Å; L140-L244 HydrophobicContact CB-CD2 4.12Å; L140-L244 HydrophobicContact CD1-CD1 4.34Å; L140-L244 HydrophobicContact CD2-CD1 4.09Å; L140-L244 HydrophobicContact CG-CD1 4.41Å |
| 141 | S | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 174.3 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | N137 N138 A139 D145 W163 | N137-S141 PolarHBondContact O-N 2.84Å; N137-S141 VanDerWaalsContact O-N 3.08Å; N137-S141 PolarHBondContact O-OG 3.23Å; N138-S141 PolarHBondContact O-N 3.37Å; A139-S141 PolarHBondContact O-N 2.91Å; S141-D145 PolarHBondContact O-N 2.96Å; S141-W163 PolarHBondContact OG-NE1 2.96Å |
| 142 | A | 98.7 | Very high | 98.6 | Very high | 54 Ų | 54 | 37 Ų | 37 | 45% | 0.446 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.2 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N138 A139 L140 D145 N146 | N138-A142 WeakPolarHBondContact O-CB 3.42Å; N138-A142 PolarHBondContact O-N 2.92Å; A139-A142 PolarHBondContact O-N 3.13Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.35Å; A142-D145 PolarHBondContact O-N 2.86Å; A142-N146 WeakPolarHBondContact O-CB 3.49Å; A142-N146 PolarHBondContact O-N 2.74Å |
| 143 | L | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 178.2 | -69.9 | 161.6 | 0 | 0 | 0 | 111.6 | A139 L140 N146 H147 V240 | A139-L143 WeakPolarHBondContact O-CB 3.42Å; A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 WeakPolarHBondContact O-CG 3.37Å; A139-L143 PolarHBondContact O-N 2.92Å; L140-L143 PolarHBondContact O-N 2.96Å; L143-N146 PolarHBondContact O-N 2.85Å; L143-H147 WeakPolarHBondContact O-CB 3.31Å; L143-H147 PolarHBondContact O-N 2.83Å; L143-V240 HydrophobicContact CB-CG1 4.49Å; L143-V240 HydrophobicContact CD1-CB 3.88Å; L143-V240 HydrophobicContact CD1-CG1 3.95Å; L143-V240 HydrophobicContact CD1-CG2 4.07Å; L143-V240 HydrophobicContact CD2-CG1 4.29Å; L143-V240 HydrophobicContact CG-CG1 4.47Å |
| 144 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -52.5 | 173.7 | 173.4 | 63.7 | 0 | 0 | 0 | 111.7 | L140 N146 H147 I148 I156 V161 W163 V224 L238 | L140-L144 WeakPolarHBondContact O-CB 3.23Å; L140-L144 PolarHBondContact O-N 3.28Å; L144-N146 VanDerWaalsContact C-N 3.3Å; L144-N146 PolarHBondContact O-N 3.3Å; L144-H147 WeakPolarHBondContact O-CB 3.2Å; L144-H147 PolarHBondContact O-N 3.5Å; L144-I148 PolarHBondContact O-N 3.2Å; L144-I148 VanDerWaalsContact O-N 3.14Å; L144-I156 HydrophobicContact CD1-CD1 3.57Å; L144-V161 HydrophobicContact CD2-CG1 3.63Å; L144-V161 HydrophobicContact CD2-CG2 4.25Å; L144-W163 HydrophobicContact CD2-CB 4.38Å; L144-V224 HydrophobicContact CD1-CG2 4.1Å; L144-V224 HydrophobicContact CD2-CB 4.3Å; L144-V224 HydrophobicContact CD2-CG2 4.47Å; L144-L238 HydrophobicContact CB-CD1 4.41Å; L144-L238 HydrophobicContact CD1-CD1 4.3Å |
| 145 | D | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 49 Ų | 49 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | -179.4 | -73.5 | -36.1 | 0 | 0 | 0 | 111.3 | S141 A142 I148 H149 R165 R190 | S141-D145 PolarHBondContact O-N 2.96Å; A142-D145 PolarHBondContact O-N 2.86Å; D145-I148 PolarHBondContact O-N 3.14Å; D145-H149 WeakPolarHBondContact O-CB 3.12Å; D145-H149 PolarHBondContact O-N 3.26Å; D145-R165 IonicContact OD2-CZ 3.75Å; D145-R165 IonicContact OD2-NH1 3.8Å; D145-R165 PolarHBondContact OD2-NH1 3.22Å; D145-R165 IonicContact OD2-NH2 3.89Å; D145-R165 PolarHBondContact OD2-NH2 3.42Å; D145-R190 IonicContact OD1-CZ 3.86Å; D145-R190 IonicContact OD1-NE 3.89Å; D145-R190 PolarHBondContact OD1-NE 2.85Å; D145-R190 IonicContact OD1-NH2 2.98Å; D145-R190 PolarHBondContact OD1-NH2 2.86Å; D145-R190 VanDerWaalsContact OD1-NH2 3.08Å; D145-R190 IonicContact OD2-CZ 3.76Å; D145-R190 IonicContact OD2-NE 3.48Å; D145-R190 IonicContact OD2-NH2 3.3Å; D145-R190 PolarHBondContact OD2-NH2 3.11Å |
| 146 | N | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 172.1 | 177.7 | 69.6 | 0 | 0 | 0 | 111.7 | A142 L143 L144 I148 H149 Q150 | A142-N146 WeakPolarHBondContact O-CB 3.49Å; A142-N146 PolarHBondContact O-N 2.74Å; L143-N146 PolarHBondContact O-N 2.85Å; L144-N146 VanDerWaalsContact C-N 3.3Å; L144-N146 PolarHBondContact O-N 3.3Å; N146-I148 VanDerWaalsContact C-N 3.3Å; N146-I148 PolarHBondContact O-N 3.23Å; N146-H149 PolarHBondContact O-N 3.13Å; N146-H149 VanDerWaalsContact O-N 3.15Å; N146-Q150 WeakPolarHBondContact O-CB 3.46Å; N146-Q150 VanDerWaalsContact O-CG 3.22Å; N146-Q150 WeakPolarHBondContact O-CG 3.4Å; N146-Q150 PolarHBondContact O-N 3.03Å; N146-Q150 WeakPolarHBondContact OD1-CG 3.39Å; N146-Q150 PolarHBondContact OD1-NE2 3.4Å |
| 147 | H | 98.7 | Very high | 98.5 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 176.5 | -175.1 | 82.6 | 0 | 0 | 0 | 112.1 | L143 L144 N152 L154 L238 | L143-H147 WeakPolarHBondContact O-CB 3.31Å; L143-H147 PolarHBondContact O-N 2.83Å; L144-H147 WeakPolarHBondContact O-CB 3.2Å; L144-H147 PolarHBondContact O-N 3.5Å; H147-N152 WeakPolarHBondContact O-CA 3.18Å; H147-N152 PolarHBondContact O-N 3.14Å; H147-L154 WeakPolarHBondContact NE2-CB 3.32Å; H147-L154 WeakPolarHBondContact NE2-CD1 3.49Å; H147-L154 VanDerWaalsContact NE2-CG 3.26Å; H147-L154 WeakPolarHBondContact NE2-CG 3.34Å; H147-L154 PolarHBondContact NE2-N 3.1Å; H147-L238 HydrophobicContact CB-CD2 3.88Å |
| 148 | I | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 175.2 | -63.3 | 169.9 | 0 | 0 | 0 | 110.4 | L144 D145 N146 N152 I156 V161 V188 | L144-I148 PolarHBondContact O-N 3.2Å; L144-I148 VanDerWaalsContact O-N 3.14Å; D145-I148 PolarHBondContact O-N 3.14Å; N146-I148 VanDerWaalsContact C-N 3.3Å; N146-I148 PolarHBondContact O-N 3.23Å; I148-N152 PolarHBondContact O-N 3.35Å; I148-I156 HydrophobicContact CD1-CB 4.42Å; I148-I156 HydrophobicContact CD1-CG2 3.97Å; I148-I156 HydrophobicContact CG1-CB 4.19Å; I148-I156 HydrophobicContact CG1-CD1 4.34Å; I148-I156 HydrophobicContact CG1-CG2 4.29Å; I148-V161 HydrophobicContact CD1-CG2 4.41Å; I148-V188 HydrophobicContact CG2-CB 4.15Å; I148-V188 HydrophobicContact CG2-CG1 4.43Å; I148-V188 HydrophobicContact CG2-CG2 3.94Å |
| 149 | H | 97.8 | Very high | 98.3 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.5 | 179.3 | 66.4 | 0 | 0 | 0 | 113.3 | D145 N146 G151 P184 | D145-H149 WeakPolarHBondContact O-CB 3.12Å; D145-H149 PolarHBondContact O-N 3.26Å; N146-H149 PolarHBondContact O-N 3.13Å; N146-H149 VanDerWaalsContact O-N 3.15Å; H149-G151 PolarHBondContact O-N 2.8Å; H149-G151 VanDerWaalsContact O-N 3.15Å; H149-P184 PolarHBondContact CE1-O 2.84Å; H149-P184 VanDerWaalsContact CE1-O 3.26Å |
| 150 | Q | 97.9 | Very high | 98.2 | Very high | 128 Ų | 128 | 56.1 Ų | 56.1 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 16.8 | -175 | -62.1 | -64.8 | -11.4 | 0 | 0 | 114.3 | N146 | N146-Q150 WeakPolarHBondContact O-CB 3.46Å; N146-Q150 VanDerWaalsContact O-CG 3.22Å; N146-Q150 WeakPolarHBondContact O-CG 3.4Å; N146-Q150 PolarHBondContact O-N 3.03Å; N146-Q150 WeakPolarHBondContact OD1-CG 3.39Å; N146-Q150 PolarHBondContact OD1-NE2 3.4Å |
| 151 | G | 97.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.6 | 1.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H149 Q153 | H149-G151 PolarHBondContact O-N 2.8Å; H149-G151 VanDerWaalsContact O-N 3.15Å; G151-Q153 PolarHBondContact O-N 2.75Å |
| 152 | N | 98.2 | Very high | 98 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | 49.4 | 50.5 | 168.9 | -165.7 | 14.5 | 0 | 0 | 0 | 114 | H147 I148 L154 N155 I156 | H147-N152 WeakPolarHBondContact O-CA 3.18Å; H147-N152 PolarHBondContact O-N 3.14Å; I148-N152 PolarHBondContact O-N 3.35Å; N152-L154 PolarHBondContact O-N 3.46Å; N152-N155 WeakPolarHBondContact O-CA 3.32Å; N152-N155 PolarHBondContact O-N 2.97Å; N152-I156 PolarHBondContact ND2-N 3.45Å; N152-I156 PolarHBondContact ND2-O 2.75Å; N152-I156 WeakPolarHBondContact OD1-CB 3.4Å; N152-I156 PolarHBondContact OD1-N 2.71Å | ||
| 153 | Q | 98.4 | Very high | 98 | Very high | 174 Ų | 174 | 58.9 Ų | 58.9 | 81% | 0.813 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.3 | -174 | -65.2 | -179.2 | -4 | 0 | 0 | 113.9 | G151 N155 | G151-Q153 PolarHBondContact O-N 2.75Å; Q153-N155 VanDerWaalsContact C-N 3.27Å |
| 154 | L | 98.5 | Very high | 98 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.3 | 176.4 | -68.4 | 170.8 | 0 | 0 | 0 | 112.4 | H147 N152 I156 T227 V233 D237 L238 | H147-L154 WeakPolarHBondContact NE2-CB 3.32Å; H147-L154 WeakPolarHBondContact NE2-CD1 3.49Å; H147-L154 VanDerWaalsContact NE2-CG 3.26Å; H147-L154 WeakPolarHBondContact NE2-CG 3.34Å; H147-L154 PolarHBondContact NE2-N 3.1Å; N152-L154 PolarHBondContact O-N 3.46Å; L154-I156 VanDerWaalsContact C-N 3.26Å; L154-I156 HydrophobicContact CB-CD1 4.25Å; L154-I156 HydrophobicContact CB-CG1 3.95Å; L154-I156 PolarHBondContact O-N 3.24Å; L154-T227 VanDerWaalsContact O-CG2 3.28Å; L154-T227 WeakPolarHBondContact O-CG2 3.49Å; L154-V233 HydrophobicContact CD1-CG1 3.84Å; L154-D237 HydrophobicContact CD1-CB 3.98Å; L154-D237 HydrophobicContact CD2-CB 4.22Å; L154-L238 HydrophobicContact CD1-CD2 3.73Å; L154-L238 HydrophobicContact CD1-CG 4.33Å |
| 155 | N | 98.5 | Very high | 98 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | trans | 54.1 | 42.1 | 178.4 | -160.2 | 36.4 | 0 | 0 | 0 | 112.8 | N152 Q153 T227 F228 | N152-N155 WeakPolarHBondContact O-CA 3.32Å; N152-N155 PolarHBondContact O-N 2.97Å; Q153-N155 VanDerWaalsContact C-N 3.27Å; N155-T227 CarbonylContact O-C 3.53Å; N155-T227 WeakPolarHBondContact O-CA 3.1Å; N155-T227 WeakPolarHBondContact O-CB 3.32Å; N155-F228 VanDerWaalsContact O-CD2 3.24Å; N155-F228 WeakPolarHBondContact O-CD2 3.34Å; N155-F228 PolarHBondContact O-N 3.38Å; N155-F228 VanDerWaalsContact O-N 3.1Å; N155-F228 WeakPolarHBondContact OD1-CD2 3.45Å | ||
| 156 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 129.3 | -178.5 | -61.2 | 174.5 | 0 | 0 | 0 | 109.3 | L144 I148 N152 L154 A158 V161 A225 F228 V233 | L144-I156 HydrophobicContact CD1-CD1 3.57Å; I148-I156 HydrophobicContact CD1-CB 4.42Å; I148-I156 HydrophobicContact CD1-CG2 3.97Å; I148-I156 HydrophobicContact CG1-CB 4.19Å; I148-I156 HydrophobicContact CG1-CD1 4.34Å; I148-I156 HydrophobicContact CG1-CG2 4.29Å; N152-I156 PolarHBondContact ND2-N 3.45Å; N152-I156 PolarHBondContact ND2-O 2.75Å; N152-I156 WeakPolarHBondContact OD1-CB 3.4Å; N152-I156 PolarHBondContact OD1-N 2.71Å; L154-I156 VanDerWaalsContact C-N 3.26Å; L154-I156 HydrophobicContact CB-CD1 4.25Å; L154-I156 HydrophobicContact CB-CG1 3.95Å; L154-I156 PolarHBondContact O-N 3.24Å; I156-A158 PolarHBondContact O-N 3.36Å; I156-V161 HydrophobicContact CG2-CG2 4.27Å; I156-A225 HydrophobicContact CG2-CB 3.63Å; I156-F228 WeakPolarHBondContact O-CE2 3.34Å; I156-V233 HydrophobicContact CD1-CG1 4.12Å; I156-V233 HydrophobicContact CG1-CG1 4.36Å; I156-V233 HydrophobicContact CG1-CG2 4.16Å |
| 157 | D | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 110.2 | 169.3 | -177.2 | -10.5 | 0 | 0 | 0 | 108.4 | R159 R160 Y226 F228 | D157-R159 PolarHBondContact O-N 3Å; D157-R159 WeakPolarHBondContact OD1-CB 3.27Å; D157-R159 IonicContact OD1-CZ 3.45Å; D157-R159 PolarHBondContact OD1-N 3.18Å; D157-R159 IonicContact OD1-NE 3.54Å; D157-R159 PolarHBondContact OD1-NE 3.33Å; D157-R159 IonicContact OD1-NH2 2.84Å; D157-R159 PolarHBondContact OD1-NH2 3.27Å; D157-R159 IonicContact OD2-CZ 2.75Å; D157-R159 IonicContact OD2-NE 3.28Å; D157-R159 PolarHBondContact OD2-NE 3Å; D157-R159 IonicContact OD2-NH2 3.41Å; D157-R159 PolarHBondContact OD2-NH2 3.38Å; D157-R160 HydrophobicContact CB-CB 4.14Å; D157-R160 HydrophobicContact CB-CG 4Å; D157-R160 CarbonylContact O-C 3.56Å; D157-R160 WeakPolarHBondContact O-CA 3.47Å; D157-R160 PolarHBondContact O-N 2.96Å; D157-R160 WeakPolarHBondContact OD2-CD 3.43Å; D157-R160 IonicContact OD2-NE 3.58Å; D157-R160 PolarHBondContact OD2-NE 3.41Å; D157-Y226 PolarHBondContact N-O 3.5Å; D157-F228 HydrophobicContact CB-CD1 3.97Å; D157-F228 HydrophobicContact CB-CD2 4.38Å; D157-F228 HydrophobicContact CB-CE1 4.04Å; D157-F228 HydrophobicContact CB-CE2 4.46Å; D157-F228 HydrophobicContact CB-CG 4.15Å; D157-F228 HydrophobicContact CB-CZ 4.3Å |
| 158 | A | 97.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -20.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I156 R160 R190 | I156-A158 PolarHBondContact O-N 3.36Å; A158-R160 VanDerWaalsContact C-N 3.29Å; A158-R190 HydrophobicContact CB-CB 4.19Å |
| 159 | R | 97.2 | Very high | 97.7 | Very high | 199 Ų | 199 | 59.5 Ų | 59.5 | 75% | 0.751 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -9 | 175.8 | -52.8 | 166.5 | -62.5 | 178.5 | 4.3 | 113 | D157 | D157-R159 PolarHBondContact O-N 3Å; D157-R159 WeakPolarHBondContact OD1-CB 3.27Å; D157-R159 IonicContact OD1-CZ 3.45Å; D157-R159 PolarHBondContact OD1-N 3.18Å; D157-R159 IonicContact OD1-NE 3.54Å; D157-R159 PolarHBondContact OD1-NE 3.33Å; D157-R159 IonicContact OD1-NH2 2.84Å; D157-R159 PolarHBondContact OD1-NH2 3.27Å; D157-R159 IonicContact OD2-CZ 2.75Å; D157-R159 IonicContact OD2-NE 3.28Å; D157-R159 PolarHBondContact OD2-NE 3Å; D157-R159 IonicContact OD2-NH2 3.41Å; D157-R159 PolarHBondContact OD2-NH2 3.38Å |
| 160 | R | 96.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 30% | 0.302 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 19.4 | -178.6 | -58.1 | 179.6 | 177.4 | -98.7 | -7.6 | 112 | D157 A158 I162 A225 Y226 | D157-R160 HydrophobicContact CB-CB 4.14Å; D157-R160 HydrophobicContact CB-CG 4Å; D157-R160 CarbonylContact O-C 3.56Å; D157-R160 WeakPolarHBondContact O-CA 3.47Å; D157-R160 PolarHBondContact O-N 2.96Å; D157-R160 WeakPolarHBondContact OD2-CD 3.43Å; D157-R160 IonicContact OD2-NE 3.58Å; D157-R160 PolarHBondContact OD2-NE 3.41Å; A158-R160 VanDerWaalsContact C-N 3.29Å; R160-I162 PolarHBondContact O-N 2.99Å; R160-A225 WeakPolarHBondContact O-CA 3.43Å; R160-Y226 HydrophobicContact CB-CD2 4.46Å; R160-Y226 PolarHBondContact O-N 3.14Å; R160-Y226 VanDerWaalsContact O-N 3.16Å |
| 161 | V | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.3 | 165 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | L144 I148 I156 W163 A225 | L144-V161 HydrophobicContact CD2-CG1 3.63Å; L144-V161 HydrophobicContact CD2-CG2 4.25Å; I148-V161 HydrophobicContact CD1-CG2 4.41Å; I156-V161 HydrophobicContact CG2-CG2 4.27Å; V161-W163 HydrophobicContact CG1-CB 4.43Å; V161-W163 WeakPolarHBondContact CG1-O 3.41Å; V161-A225 HydrophobicContact CB-CB 4.49Å; V161-A225 HydrophobicContact CG2-CB 4.06Å |
| 162 | I | 95.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | trans | -103.2 | -17.6 | 176.8 | 61.7 | 166.4 | 0 | 0 | 0 | 111.9 | R160 V223 V224 Y226 | R160-I162 PolarHBondContact O-N 2.99Å; I162-V223 HydrophobicContact CD1-CB 4.44Å; I162-V223 HydrophobicContact CD1-CG1 4.08Å; I162-V223 WeakPolarHBondContact CD1-O 3.38Å; I162-V224 WeakPolarHBondContact CG1-O 3.13Å; I162-V224 PolarHBondContact N-O 3.26Å; I162-Y226 HydrophobicContact CD1-CE2 4.12Å; I162-Y226 HydrophobicContact CG2-CD2 4.36Å; I162-Y226 HydrophobicContact CG2-CE2 3.97Å | ||
| 163 | W | 98 | Very high | 97.5 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | trans | -72.4 | 125.1 | 176 | -166.5 | -105.7 | 0 | 0 | 0 | 111.4 | N137 L140 S141 L144 V161 E201 I202 I222 V224 | N137-W163 HydrophobicContact CB-CZ2 4.35Å; N137-W163 PolarHBondContact O-NE1 3.08Å; N137-W163 WeakPolarHBondContact OD1-CZ2 3.46Å; L140-W163 HydrophobicContact CD2-CD2 4.05Å; L140-W163 HydrophobicContact CD2-CH2 4.22Å; L140-W163 HydrophobicContact CD2-CZ2 3.69Å; L140-W163 HydrophobicContact CG-CZ2 4.5Å; S141-W163 PolarHBondContact OG-NE1 2.96Å; L144-W163 HydrophobicContact CD2-CB 4.38Å; V161-W163 HydrophobicContact CG1-CB 4.43Å; V161-W163 WeakPolarHBondContact CG1-O 3.41Å; W163-E201 HydrophobicContact CH2-CB 4.09Å; W163-E201 HydrophobicContact CZ3-CB 3.92Å; W163-I202 HydrophobicContact CH2-CD1 4.36Å; W163-I202 HydrophobicContact CH2-CG1 4Å; W163-I202 HydrophobicContact CZ2-CD1 4.08Å; W163-I202 HydrophobicContact CZ2-CG1 4.21Å; W163-I222 HydrophobicContact CE3-CG2 3.73Å; W163-I222 HydrophobicContact CH2-CD1 4.16Å; W163-I222 HydrophobicContact CH2-CG2 4.17Å; W163-I222 HydrophobicContact CZ3-CD1 4.38Å; W163-I222 HydrophobicContact CZ3-CG2 3.41Å; W163-I222 VanDerWaalsContact CZ3-CG2 3.41Å; W163-V224 HydrophobicContact CB-CB 3.91Å; W163-V224 HydrophobicContact CB-CG1 4.16Å; W163-V224 HydrophobicContact CD2-CG1 4.25Å; W163-V224 HydrophobicContact CE3-CG1 4.31Å; W163-V224 HydrophobicContact CG-CB 4.44Å; W163-V224 HydrophobicContact CG-CG1 4.18Å; W163-V224 PolarHBondContact N-O 3.48Å | ||
| 164 | K | 97.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 33% | 0.326 | 26% | 0.259 | S | S | . | . | trans | -105.6 | 160.4 | 177.3 | -72.8 | -175.8 | -175.5 | 178.4 | 0 | 111.6 | N137 G193 D195 | N137-K164 PolarHBondContact ND2-O 2.76Å; K164-G193 WeakPolarHBondContact CB-O 3.44Å; K164-D195 WeakPolarHBondContact CD-OD2 3.43Å; K164-D195 IonicContact NZ-OD1 3.09Å; K164-D195 PolarHBondContact NZ-OD1 3.3Å | ||
| 165 | R | 98.8 | Very high | 97.5 | Very high | 46 Ų | 46 | 57 Ų | 57 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 167 | 168.5 | -69.9 | 172.4 | 164.5 | 80.1 | 5.1 | 110.3 | N138 D145 R190 D192 G193 F194 D195 | N138-R165 WeakPolarHBondContact OD1-CA 3.47Å; D145-R165 IonicContact OD2-CZ 3.75Å; D145-R165 IonicContact OD2-NH1 3.8Å; D145-R165 PolarHBondContact OD2-NH1 3.22Å; D145-R165 IonicContact OD2-NH2 3.89Å; D145-R165 PolarHBondContact OD2-NH2 3.42Å; R165-R190 VanDerWaalsContact NH1-NH2 3.1Å; R165-D192 IonicContact CZ-OD2 3.61Å; R165-D192 IonicContact NH1-OD2 2.84Å; R165-D192 PolarHBondContact NH1-OD2 2.83Å; R165-G193 PolarHBondContact N-O 3.04Å; R165-G193 VanDerWaalsContact N-O 3.13Å; R165-F194 HydrophobicContact CB-CD1 3.65Å; R165-F194 HydrophobicContact CB-CD2 3.98Å; R165-F194 HydrophobicContact CB-CE1 3.45Å; R165-F194 VanDerWaalsContact CB-CE1 3.45Å; R165-F194 HydrophobicContact CB-CE2 3.77Å; R165-F194 HydrophobicContact CB-CG 3.92Å; R165-F194 HydrophobicContact CB-CZ 3.51Å; R165-F194 HydrophobicContact CG-CE1 4.44Å; R165-F194 HydrophobicContact CG-CE2 4.4Å; R165-F194 HydrophobicContact CG-CZ 4.14Å; R165-F194 VanDerWaalsContact O-CA 3.24Å; R165-F194 WeakPolarHBondContact O-CA 3.46Å; R165-D195 PolarHBondContact O-N 2.89Å |
| 166 | V | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156 | 175.6 | -59 | 0 | 0 | 0 | 0 | 113.5 | T134 N137 N138 D195 | T134-V166 HydrophobicContact CG2-CG2 4.29Å; N137-V166 HydrophobicContact CB-CG2 3.54Å; N138-V166 PolarHBondContact ND2-O 3.11Å; N138-V166 PolarHBondContact OD1-N 2.72Å; N138-V166 PolarHBondContact OD1-O 2.7Å; V166-D195 WeakPolarHBondContact CA-O 3.29Å; V166-D195 WeakPolarHBondContact CB-O 3.47Å; V166-D195 HydrophobicContact CG1-CB 4.3Å |
| 167 | V | 98.5 | Very high | 97.4 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 141.4 | 170.2 | 62 | 0 | 0 | 0 | 0 | 109 | L169 L174 F194 D195 I196 T197 M533 | V167-L169 HydrophobicContact CG1-CB 4.48Å; V167-L169 HydrophobicContact CG2-CB 4.19Å; V167-L169 HydrophobicContact CG2-CD1 3.98Å; V167-L169 HydrophobicContact CG2-CG 4.08Å; V167-L169 PolarHBondContact O-N 3.36Å; V167-L174 HydrophobicContact CG1-CD1 4.11Å; V167-F194 HydrophobicContact CB-CD1 4.25Å; V167-F194 HydrophobicContact CG1-CD1 4.05Å; V167-D195 PolarHBondContact N-O 2.85Å; V167-I196 WeakPolarHBondContact O-CA 3.42Å; V167-T197 VanDerWaalsContact C-OG1 3.27Å; V167-T197 PolarHBondContact O-N 3.05Å; V167-M533 HydrophobicContact CG1-CE 3.75Å |
| 168 | D | 96.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 67.2 Ų | 67.2 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -85.7 | 55.6 | -179 | -158.6 | 27.6 | 0 | 0 | 0 | 112.3 | S97 L98 G99 T197 | S97-D168 WeakPolarHBondContact CB-OD1 3.39Å; S97-D168 PolarHBondContact OG-OD1 3.35Å; L98-D168 WeakPolarHBondContact CB-OD2 3.18Å; L98-D168 PolarHBondContact N-OD2 3.14Å; G99-D168 PolarHBondContact N-O 3.34Å; D168-T197 WeakPolarHBondContact CB-OG1 3.34Å; D168-T197 PolarHBondContact N-OG1 2.88Å; D168-T197 VanDerWaalsContact N-OG1 3.09Å |
| 169 | L | 95 | Very high | 97.5 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -140.6 | 154.2 | -179.2 | -69.4 | 174.3 | 0 | 0 | 0 | 110.2 | L98 M102 V167 D171 | L98-L169 HydrophobicContact CD2-CD2 3.84Å; M102-L169 HydrophobicContact SD-CD2 4.24Å; V167-L169 HydrophobicContact CG1-CB 4.48Å; V167-L169 HydrophobicContact CG2-CB 4.19Å; V167-L169 HydrophobicContact CG2-CD1 3.98Å; V167-L169 HydrophobicContact CG2-CG 4.08Å; V167-L169 PolarHBondContact O-N 3.36Å; L169-D171 PolarHBondContact O-N 2.99Å; L169-D171 VanDerWaalsContact O-N 3.13Å |
| 170 | N | 94.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | trans | -86.3 | 72.7 | 175.2 | -70.9 | -3.8 | 0 | 0 | 0 | 111.2 | G99 P534 L536 | G99-N170 PolarHBondContact O-ND2 2.89Å; N170-P534 CarbonylContact C-O 3.58Å; N170-P534 VanDerWaalsContact CA-O 3.27Å; N170-P534 WeakPolarHBondContact CA-O 3.28Å; N170-P534 HydrophobicContact CB-CB 4.33Å; N170-L536 HydrophobicContact CB-CD2 3.96Å; N170-L536 HydrophobicContact CB-CG 4.11Å; N170-L536 PolarHBondContact O-N 2.7Å | ||
| 171 | D | 97.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | trans | -110.7 | 100 | -175 | -165.5 | -14.6 | 0 | 0 | 0 | 113.2 | L169 E173 L174 M533 P534 | L169-D171 PolarHBondContact O-N 2.99Å; L169-D171 VanDerWaalsContact O-N 3.13Å; D171-E173 VanDerWaalsContact C-N 3.27Å; D171-E173 PolarHBondContact O-N 3.07Å; D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.7Å; D171-L174 HydrophobicContact CB-CD1 4.16Å; D171-L174 HydrophobicContact CB-CG 4.35Å; D171-M533 WeakPolarHBondContact O-CG 3.3Å; D171-P534 PolarHBondContact N-O 2.46Å | ||
| 172 | R | 96.7 | Very high | 97.5 | Very high | 121 Ų | 121 | 62.1 Ų | 62.1 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -68.2 | -23.9 | -179.7 | 70.6 | 170.2 | 62.9 | 95.2 | 4.2 | 113.9 | L174 R175 L536 | R172-L174 PolarHBondContact O-N 3.03Å; R172-R175 WeakPolarHBondContact O-CD 3.42Å; R172-R175 WeakPolarHBondContact O-CG 3.42Å; R172-R175 PolarHBondContact O-N 2.95Å; R172-L536 PolarHBondContact NH2-O 3.23Å |
| 173 | E | 98 | Very high | 97.5 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -72 | -23.2 | -174.7 | -65.3 | -60.2 | 129.9 | 0 | 0 | 111.2 | D171 | D171-E173 VanDerWaalsContact C-N 3.27Å; D171-E173 PolarHBondContact O-N 3.07Å; D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.7Å |
| 174 | L | 98.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -87.9 | 2.2 | -178.6 | -59.3 | 178.9 | 0 | 0 | 0 | 114.3 | V167 D171 R172 H176 I177 F194 | V167-L174 HydrophobicContact CG1-CD1 4.11Å; D171-L174 HydrophobicContact CB-CD1 4.16Å; D171-L174 HydrophobicContact CB-CG 4.35Å; R172-L174 PolarHBondContact O-N 3.03Å; L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 3.06Å; L174-I177 HydrophobicContact CD2-CG2 4.44Å; L174-F194 HydrophobicContact CB-CB 3.77Å; L174-F194 HydrophobicContact CB-CD2 3.9Å; L174-F194 HydrophobicContact CB-CG 3.97Å; L174-F194 HydrophobicContact CD1-CD1 4.34Å; L174-F194 HydrophobicContact CD1-CD2 4.37Å; L174-F194 HydrophobicContact CD1-CG 4.17Å; L174-F194 PolarHBondContact O-N 2.95Å |
| 175 | R | 97.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 68.9 Ų | 68.9 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -61 | -38.1 | -178.9 | -74.7 | 171.7 | -179.8 | 171.4 | -2.2 | 113.3 | R172 M531 M533 | R172-R175 WeakPolarHBondContact O-CD 3.42Å; R172-R175 WeakPolarHBondContact O-CG 3.42Å; R172-R175 PolarHBondContact O-N 2.95Å; R175-M531 PolarHBondContact NH2-SD 2.84Å; R175-M533 HydrophobicContact CG-CB 3.94Å; R175-M533 HydrophobicContact CG-CG 4.04Å; R175-M533 VanDerWaalsContact CZ-O 3.31Å; R175-M533 PolarHBondContact NE-O 3.5Å; R175-M533 PolarHBondContact NH2-O 2.73Å |
| 176 | H | 97.9 | Very high | 97.1 | Very high | 168 Ų | 168 | 71.2 Ų | 71.2 | 78% | 0.778 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -139.2 | 115.6 | -178.7 | -59 | -69.1 | 0 | 0 | 0 | 109.2 | L174 | L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 3.06Å |
| 177 | I | 98.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 72 Ų | 72 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 168.2 | -178.1 | 65.7 | 172.5 | 0 | 0 | 0 | 110.8 | L174 V179 E191 D192 F194 | L174-I177 HydrophobicContact CD2-CG2 4.44Å; I177-V179 HydrophobicContact CD1-CG1 3.56Å; I177-V179 HydrophobicContact CG1-CG1 4.07Å; I177-E191 WeakPolarHBondContact O-CA 3.42Å; I177-D192 HydrophobicContact CD1-CB 4.3Å; I177-D192 HydrophobicContact CG1-CB 3.9Å; I177-D192 PolarHBondContact N-O 2.75Å; I177-D192 PolarHBondContact O-N 2.64Å; I177-F194 HydrophobicContact CD1-CD2 3.92Å; I177-F194 HydrophobicContact CD1-CE2 3.6Å |
| 178 | T | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 73.5 Ų | 73.5 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.9 | 165.7 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | L181 R190 | T178-L181 HydrophobicContact CG2-CD1 4.26Å; T178-L181 HydrophobicContact CG2-CD2 3.86Å; T178-L181 HydrophobicContact CG2-CG 4.11Å; T178-R190 WeakPolarHBondContact CA-O 3.19Å |
| 179 | V | 98.1 | Very high | 97 | Very high | 26 Ų | 26 | 76.8 Ų | 76.8 | 16% | 0.158 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 170.2 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | I177 L181 P189 R190 D192 | I177-V179 HydrophobicContact CD1-CG1 3.56Å; I177-V179 HydrophobicContact CG1-CG1 4.07Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 2.91Å; V179-P189 VanDerWaalsContact O-CA 3.28Å; V179-P189 WeakPolarHBondContact O-CA 3.4Å; V179-R190 HydrophobicContact CG2-CG 3.63Å; V179-R190 PolarHBondContact N-O 3.3Å; V179-R190 PolarHBondContact O-N 2.96Å; V179-D192 HydrophobicContact CG1-CB 4.05Å; V179-D192 HydrophobicContact CG2-CB 4.09Å |
| 180 | G | 97.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 73.9 Ų | 73.9 | 21% | 0.206 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 71.5 | 22.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P189 | G180-P189 WeakPolarHBondContact O-CD 3.16Å; G180-P189 WeakPolarHBondContact O-CG 3.39Å |
| 181 | L | 97.9 | Very high | 97.3 | Very high | 107 Ų | 107 | 81 Ų | 81 | 56% | 0.56 | 45% | 0.45 | S | S | * | . | trans | -79 | 169.4 | 176.3 | -61.5 | -178.1 | 0 | 0 | 0 | 111.8 | T178 V179 N186 P189 | T178-L181 HydrophobicContact CG2-CD1 4.26Å; T178-L181 HydrophobicContact CG2-CD2 3.86Å; T178-L181 HydrophobicContact CG2-CG 4.11Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 2.91Å; L181-N186 WeakPolarHBondContact O-CB 3.17Å; L181-P189 HydrophobicContact CD2-CB 4.17Å; L181-P189 HydrophobicContact CD2-CG 4.32Å | ||
| 182 | G | 97.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 79.2 Ų | 79.2 | 65% | 0.649 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 95.2 | 11.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N186 | G182-N186 PolarHBondContact O-ND2 2.78Š|
| 183 | G | 95.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 96.4 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I185 N186 | G183-I185 VanDerWaalsContact C-N 3.26Å; G183-I185 PolarHBondContact O-N 3.06Å; G183-I185 VanDerWaalsContact O-N 3.07Å; G183-N186 PolarHBondContact O-N 3Å |
| 184 | P | 94.3 | Very high | 97.4 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -60 | -27.3 | -163.2 | -27.6 | 35.5 | 0 | 0 | 0 | 116 | H149 N186 | H149-P184 PolarHBondContact CE1-O 2.84Å; H149-P184 VanDerWaalsContact CE1-O 3.26Å; P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 PolarHBondContact O-N 2.95Å |
| 185 | I | 96.4 | Very high | 97.4 | Very high | 147 Ų | 147 | 66.9 Ų | 66.9 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -77.2 | -14.2 | 179.5 | 65.5 | 171.1 | 0 | 0 | 0 | 113.4 | G183 | G183-I185 VanDerWaalsContact C-N 3.26Å; G183-I185 PolarHBondContact O-N 3.06Å; G183-I185 VanDerWaalsContact O-N 3.07Å |
| 186 | N | 96.5 | Very high | 97.4 | Very high | 95 Ų | 95 | 63.4 Ų | 63.4 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -105.7 | 0.6 | -170.8 | -68 | -49.3 | 0 | 0 | 0 | 113.6 | L181 G182 G183 P184 | L181-N186 WeakPolarHBondContact O-CB 3.17Å; G182-N186 PolarHBondContact O-ND2 2.78Å; G183-N186 PolarHBondContact O-N 3Å; P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 PolarHBondContact O-N 2.95Å |
| 187 | G | 95.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | trans | 120 | -163.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 188 | V | 97.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | trans | -110.6 | 120.8 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | I148 R190 | I148-V188 HydrophobicContact CG2-CB 4.15Å; I148-V188 HydrophobicContact CG2-CG1 4.43Å; I148-V188 HydrophobicContact CG2-CG2 3.94Å; V188-R190 PolarHBondContact O-N 3.23Å | ||
| 189 | P | 98 | Very high | 97.2 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 53% | 0.532 | 31% | 0.306 | S | S | . | . | trans | -57.8 | 130.2 | 179 | -27.4 | 34.5 | 0 | 0 | 0 | 113.2 | V179 G180 L181 | V179-P189 VanDerWaalsContact O-CA 3.28Å; V179-P189 WeakPolarHBondContact O-CA 3.4Å; G180-P189 WeakPolarHBondContact O-CD 3.16Å; G180-P189 WeakPolarHBondContact O-CG 3.39Å; L181-P189 HydrophobicContact CD2-CB 4.17Å; L181-P189 HydrophobicContact CD2-CG 4.32Å | ||
| 190 | R | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 158.4 | 170.6 | 67.2 | 175 | -176.6 | 82.2 | 0.8 | 112.1 | D145 A158 R165 T178 V179 V188 D192 | D145-R190 IonicContact OD1-CZ 3.86Å; D145-R190 IonicContact OD1-NE 3.89Å; D145-R190 PolarHBondContact OD1-NE 2.85Å; D145-R190 IonicContact OD1-NH2 2.98Å; D145-R190 PolarHBondContact OD1-NH2 2.86Å; D145-R190 VanDerWaalsContact OD1-NH2 3.08Å; D145-R190 IonicContact OD2-CZ 3.76Å; D145-R190 IonicContact OD2-NE 3.48Å; D145-R190 IonicContact OD2-NH2 3.3Å; D145-R190 PolarHBondContact OD2-NH2 3.11Å; A158-R190 HydrophobicContact CB-CB 4.19Å; R165-R190 VanDerWaalsContact NH1-NH2 3.1Å; T178-R190 WeakPolarHBondContact CA-O 3.19Å; V179-R190 HydrophobicContact CG2-CG 3.63Å; V179-R190 PolarHBondContact N-O 3.3Å; V179-R190 PolarHBondContact O-N 2.96Å; V188-R190 PolarHBondContact O-N 3.23Å; R190-D192 IonicContact CZ-OD1 2.81Å; R190-D192 IonicContact CZ-OD2 3.25Å; R190-D192 VanDerWaalsContact NH1-CB 3.34Å; R190-D192 IonicContact NH1-OD1 2.97Å; R190-D192 PolarHBondContact NH1-OD1 2.85Å; R190-D192 VanDerWaalsContact NH1-OD1 3.09Å; R190-D192 IonicContact NH1-OD2 3.97Å; R190-D192 PolarHBondContact NH1-OD2 2.91Å; R190-D192 IonicContact NH2-OD1 3.12Å; R190-D192 IonicContact NH2-OD2 3.99Å; R190-D192 PolarHBondContact NH2-OD2 3.44Å |
| 191 | E | 98.4 | Very high | 97.3 | Very high | 170 Ų | 170 | 48.5 Ų | 48.5 | 79% | 0.794 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 143.6 | 166.7 | -66 | -175.2 | 161.8 | 0 | 0 | 110.2 | I177 | I177-E191 WeakPolarHBondContact O-CA 3.42Å |
| 192 | D | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | -178.8 | 178 | -158.3 | 15.7 | 0 | 0 | 0 | 110.8 | R165 I177 V179 R190 | R165-D192 IonicContact CZ-OD2 3.61Å; R165-D192 IonicContact NH1-OD2 2.84Å; R165-D192 PolarHBondContact NH1-OD2 2.83Å; I177-D192 HydrophobicContact CD1-CB 4.3Å; I177-D192 HydrophobicContact CG1-CB 3.9Å; I177-D192 PolarHBondContact N-O 2.75Å; I177-D192 PolarHBondContact O-N 2.64Å; V179-D192 HydrophobicContact CG1-CB 4.05Å; V179-D192 HydrophobicContact CG2-CB 4.09Å; R190-D192 IonicContact CZ-OD1 2.81Å; R190-D192 IonicContact CZ-OD2 3.25Å; R190-D192 VanDerWaalsContact NH1-CB 3.34Å; R190-D192 IonicContact NH1-OD1 2.97Å; R190-D192 PolarHBondContact NH1-OD1 2.85Å; R190-D192 VanDerWaalsContact NH1-OD1 3.09Å; R190-D192 IonicContact NH1-OD2 3.97Å; R190-D192 PolarHBondContact NH1-OD2 2.91Å; R190-D192 IonicContact NH2-OD1 3.12Å; R190-D192 IonicContact NH2-OD2 3.99Å; R190-D192 PolarHBondContact NH2-OD2 3.44Å |
| 193 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -162.3 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K164 R165 | K164-G193 WeakPolarHBondContact CB-O 3.44Å; R165-G193 PolarHBondContact N-O 3.04Å; R165-G193 VanDerWaalsContact N-O 3.13Å | ||
| 194 | F | 98.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.1 | 171.7 | -75 | -113.1 | 0 | 0 | 0 | 111 | R165 V167 L174 I177 M533 | R165-F194 HydrophobicContact CB-CD1 3.65Å; R165-F194 HydrophobicContact CB-CD2 3.98Å; R165-F194 HydrophobicContact CB-CE1 3.45Å; R165-F194 VanDerWaalsContact CB-CE1 3.45Å; R165-F194 HydrophobicContact CB-CE2 3.77Å; R165-F194 HydrophobicContact CB-CG 3.92Å; R165-F194 HydrophobicContact CB-CZ 3.51Å; R165-F194 HydrophobicContact CG-CE1 4.44Å; R165-F194 HydrophobicContact CG-CE2 4.4Å; R165-F194 HydrophobicContact CG-CZ 4.14Å; R165-F194 VanDerWaalsContact O-CA 3.24Å; R165-F194 WeakPolarHBondContact O-CA 3.46Å; V167-F194 HydrophobicContact CB-CD1 4.25Å; V167-F194 HydrophobicContact CG1-CD1 4.05Å; L174-F194 HydrophobicContact CB-CB 3.77Å; L174-F194 HydrophobicContact CB-CD2 3.9Å; L174-F194 HydrophobicContact CB-CG 3.97Å; L174-F194 HydrophobicContact CD1-CD1 4.34Å; L174-F194 HydrophobicContact CD1-CD2 4.37Å; L174-F194 HydrophobicContact CD1-CG 4.17Å; L174-F194 PolarHBondContact O-N 2.95Å; I177-F194 HydrophobicContact CD1-CD2 3.92Å; I177-F194 HydrophobicContact CD1-CE2 3.6Å; F194-M533 HydrophobicContact CB-CE 3.76Å; F194-M533 WeakPolarHBondContact O-CB 3.46Å |
| 195 | D | 97.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 162.2 | 162.5 | -61.9 | -33.7 | 0 | 0 | 0 | 109.7 | K164 R165 V166 V167 A199 T532 M533 | K164-D195 WeakPolarHBondContact CD-OD2 3.43Å; K164-D195 IonicContact NZ-OD1 3.09Å; K164-D195 PolarHBondContact NZ-OD1 3.3Å; R165-D195 PolarHBondContact O-N 2.89Å; V166-D195 WeakPolarHBondContact CA-O 3.29Å; V166-D195 WeakPolarHBondContact CB-O 3.47Å; V166-D195 HydrophobicContact CG1-CB 4.3Å; V167-D195 PolarHBondContact N-O 2.85Å; D195-A199 HydrophobicContact CB-CB 4.09Å; D195-T532 VanDerWaalsContact OD1-CB 3.24Å; D195-T532 WeakPolarHBondContact OD1-CB 3.36Å; D195-T532 PolarHBondContact OD1-OG1 2.88Å; D195-M533 VanDerWaalsContact O-CE 3.29Å; D195-M533 WeakPolarHBondContact O-CE 3.3Å |
| 196 | I | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 146.3 | 171.9 | -162.1 | 169.5 | 0 | 0 | 0 | 109.6 | S97 V167 V198 A199 F272 T532 M533 P534 | S97-I196 WeakPolarHBondContact OG-CD1 3.45Å; V167-I196 WeakPolarHBondContact O-CA 3.42Å; I196-V198 VanDerWaalsContact C-N 3.26Å; I196-V198 HydrophobicContact CG1-CG2 4.4Å; I196-V198 HydrophobicContact CG2-CG2 3.64Å; I196-V198 PolarHBondContact O-N 2.78Å; I196-V198 VanDerWaalsContact O-N 3.11Å; I196-A199 HydrophobicContact CG2-CB 3.95Å; I196-A199 WeakPolarHBondContact O-CA 3.18Å; I196-A199 VanDerWaalsContact O-CB 3.25Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 2.85Å; I196-F272 HydrophobicContact CG2-CE1 4.01Å; I196-F272 HydrophobicContact CG2-CE2 4.34Å; I196-F272 HydrophobicContact CG2-CZ 3.67Å; I196-T532 WeakPolarHBondContact CG2-O 3.32Å; I196-T532 PolarHBondContact N-O 2.84Å; I196-M533 HydrophobicContact CB-SD 4.43Å; I196-P534 HydrophobicContact CD1-CG 4.33Å |
| 197 | T | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -51.2 | -41.7 | -173.7 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | M130 I133 T134 V167 D168 A199 S200 | M130-T197 HydrophobicContact SD-CG2 4.41Å; I133-T197 HydrophobicContact CB-CG2 4.06Å; I133-T197 HydrophobicContact CG2-CG2 3.74Å; T134-T197 VanDerWaalsContact OG1-CG2 3.27Å; T134-T197 WeakPolarHBondContact OG1-CG2 3.39Å; T134-T197 PolarHBondContact OG1-OG1 3.34Å; V167-T197 VanDerWaalsContact C-OG1 3.27Å; V167-T197 PolarHBondContact O-N 3.05Å; D168-T197 WeakPolarHBondContact CB-OG1 3.34Å; D168-T197 PolarHBondContact N-OG1 2.88Å; D168-T197 VanDerWaalsContact N-OG1 3.09Å; T197-A199 PolarHBondContact O-N 2.78Å; T197-S200 WeakPolarHBondContact O-CB 3.27Å; T197-S200 PolarHBondContact O-N 2.96Å |
| 198 | V | 95.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -67.7 | -11.6 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 114.9 | M130 I196 M203 G270 F272 | M130-V198 HydrophobicContact CE-CG1 3.7Å; M130-V198 HydrophobicContact SD-CG1 3.6Å; I196-V198 VanDerWaalsContact C-N 3.26Å; I196-V198 HydrophobicContact CG1-CG2 4.4Å; I196-V198 HydrophobicContact CG2-CG2 3.64Å; I196-V198 PolarHBondContact O-N 2.78Å; I196-V198 VanDerWaalsContact O-N 3.11Å; V198-M203 HydrophobicContact CG1-CE 4.13Å; V198-G270 VanDerWaalsContact CB-O 3.28Å; V198-G270 WeakPolarHBondContact CB-O 3.37Å; V198-G270 VanDerWaalsContact CG1-O 3.27Å; V198-G270 WeakPolarHBondContact CG1-O 3.45Å; V198-F272 HydrophobicContact CB-CD1 4.22Å; V198-F272 HydrophobicContact CB-CE1 4.42Å; V198-F272 HydrophobicContact CG2-CD1 3.58Å; V198-F272 HydrophobicContact CG2-CE1 3.32Å; V198-F272 HydrophobicContact CG2-CZ 4.27Å; V198-F272 PolarHBondContact O-N 2.96Å |
| 199 | A | 96.9 | Very high | 98.2 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -87.7 | -8.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D195 I196 T197 F272 I275 | D195-A199 HydrophobicContact CB-CB 4.09Å; I196-A199 HydrophobicContact CG2-CB 3.95Å; I196-A199 WeakPolarHBondContact O-CA 3.18Å; I196-A199 VanDerWaalsContact O-CB 3.25Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 2.85Å; T197-A199 PolarHBondContact O-N 2.78Å; A199-F272 HydrophobicContact CB-CD2 4.3Å; A199-F272 HydrophobicContact CB-CE2 4.41Å; A199-I275 HydrophobicContact CB-CD1 3.7Å |
| 200 | S | 97.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 5% | 0.049 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -60.3 | 144.9 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | N137 T197 I202 M203 A204 | N137-S200 WeakPolarHBondContact OD1-CB 3.1Å; N137-S200 PolarHBondContact OD1-OG 3.35Å; T197-S200 WeakPolarHBondContact O-CB 3.27Å; T197-S200 PolarHBondContact O-N 2.96Å; S200-I202 PolarHBondContact O-N 2.92Å; S200-I202 WeakPolarHBondContact OG-CB 3.22Å; S200-I202 PolarHBondContact OG-N 2.95Å; S200-M203 WeakPolarHBondContact O-CB 3.4Å; S200-M203 PolarHBondContact O-N 2.85Å; S200-A204 PolarHBondContact O-N 2.87Å |
| 201 | E | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 2% | 0.023 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -29.2 | 168 | -170.8 | 171.7 | 173.7 | 0 | 0 | 111.8 | W163 M203 A204 I205 K517 I518 G519 A520 | W163-E201 HydrophobicContact CH2-CB 4.09Å; W163-E201 HydrophobicContact CZ3-CB 3.92Å; E201-M203 VanDerWaalsContact C-N 3.26Å; E201-M203 PolarHBondContact O-N 3.19Å; E201-A204 WeakPolarHBondContact O-CB 3.31Å; E201-A204 PolarHBondContact O-N 2.89Å; E201-A204 VanDerWaalsContact O-N 3.1Å; E201-I205 HydrophobicContact CG-CD1 3.93Å; E201-I205 HydrophobicContact CG-CG1 4.31Å; E201-I205 WeakPolarHBondContact O-CG1 3.27Å; E201-I205 PolarHBondContact O-N 3.36Å; E201-K517 HydrophobicContact CB-CD 3.9Å; E201-K517 HydrophobicContact CG-CB 4.27Å; E201-K517 HydrophobicContact CG-CD 3.82Å; E201-K517 VanDerWaalsContact OE1-CA 3.26Å; E201-K517 WeakPolarHBondContact OE1-CA 3.4Å; E201-K517 WeakPolarHBondContact OE2-CD 3.29Å; E201-I518 PolarHBondContact OE1-N 3.39Å; E201-I518 VanDerWaalsContact OE1-N 3.1Å; E201-G519 WeakPolarHBondContact OE1-CA 3.32Å; E201-G519 PolarHBondContact OE1-N 3.5Å; E201-A520 HydrophobicContact CG-CB 4.12Å; E201-A520 PolarHBondContact OE1-N 2.85Å |
| 202 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 175.9 | -65.5 | -179.6 | 0 | 0 | 0 | 110.8 | I133 A136 N137 W163 S200 I205 L206 L219 I222 L248 | I133-I202 HydrophobicContact CG1-CG2 4.47Å; I133-I202 HydrophobicContact CG2-CB 4.26Å; I133-I202 HydrophobicContact CG2-CG2 4.02Å; A136-I202 HydrophobicContact CB-CD1 3.96Å; A136-I202 HydrophobicContact CB-CG2 4.49Å; N137-I202 HydrophobicContact CB-CD1 3.99Å; W163-I202 HydrophobicContact CH2-CD1 4.36Å; W163-I202 HydrophobicContact CH2-CG1 4Å; W163-I202 HydrophobicContact CZ2-CD1 4.08Å; W163-I202 HydrophobicContact CZ2-CG1 4.21Å; S200-I202 PolarHBondContact O-N 2.92Å; S200-I202 WeakPolarHBondContact OG-CB 3.22Å; S200-I202 PolarHBondContact OG-N 2.95Å; I202-I205 PolarHBondContact O-N 2.86Å; I202-L206 WeakPolarHBondContact O-CB 3.5Å; I202-L206 PolarHBondContact O-N 2.96Å; I202-L219 HydrophobicContact CD1-CD2 4.39Å; I202-L219 HydrophobicContact CG1-CD2 3.99Å; I202-L219 HydrophobicContact CG2-CD2 4.47Å; I202-I222 HydrophobicContact CG1-CD1 4.23Å; I202-L248 HydrophobicContact CG2-CD1 3.63Å; I202-L248 HydrophobicContact CG2-CD2 4.19Å |
| 203 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 173.5 | 174.8 | 54.8 | 81.1 | 0 | 0 | 111.3 | M130 I133 V198 S200 E201 I205 L206 C207 G270 P271 | M130-M203 HydrophobicContact CE-CE 3.38Å; M130-M203 HydrophobicContact SD-CE 3.23Å; M130-M203 WeakPolarHBondContact SD-CE 3.46Å; I133-M203 HydrophobicContact CD1-CE 3.21Å; I133-M203 HydrophobicContact CD1-SD 3.78Å; I133-M203 HydrophobicContact CG2-CB 4.33Å; V198-M203 HydrophobicContact CG1-CE 4.13Å; S200-M203 WeakPolarHBondContact O-CB 3.4Å; S200-M203 PolarHBondContact O-N 2.85Å; E201-M203 VanDerWaalsContact C-N 3.26Å; E201-M203 PolarHBondContact O-N 3.19Å; M203-I205 VanDerWaalsContact C-N 3.35Å; M203-I205 PolarHBondContact O-N 3.01Å; M203-L206 PolarHBondContact O-N 2.85Å; M203-C207 PolarHBondContact O-N 2.83Å; M203-C207 VanDerWaalsContact O-N 3.09Å; M203-C207 PolarHBondContact O-SG 2.81Å; M203-G270 PolarHBondContact SD-N 3.07Å; M203-P271 HydrophobicContact CG-CB 3.91Å |
| 204 | A | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.017 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S200 E201 C207 L208 A276 A520 F522 | S200-A204 PolarHBondContact O-N 2.87Å; E201-A204 WeakPolarHBondContact O-CB 3.31Å; E201-A204 PolarHBondContact O-N 2.89Å; E201-A204 VanDerWaalsContact O-N 3.1Å; A204-C207 PolarHBondContact O-N 3.24Å; A204-L208 WeakPolarHBondContact O-CB 3.44Å; A204-L208 WeakPolarHBondContact O-CG 3.38Å; A204-L208 PolarHBondContact O-N 2.9Å; A204-A276 HydrophobicContact CB-CB 4.17Å; A204-A520 HydrophobicContact CB-CB 3.8Å; A204-F522 HydrophobicContact CB-CE1 4.31Å; A204-F522 HydrophobicContact CB-CZ 4.1Å |
| 205 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 176.4 | -73 | 166.3 | 0 | 0 | 0 | 111.2 | E201 I202 M203 C207 L208 A209 L215 R218 L219 I222 G519 A520 | E201-I205 HydrophobicContact CG-CD1 3.93Å; E201-I205 HydrophobicContact CG-CG1 4.31Å; E201-I205 WeakPolarHBondContact O-CG1 3.27Å; E201-I205 PolarHBondContact O-N 3.36Å; I202-I205 PolarHBondContact O-N 2.86Å; M203-I205 VanDerWaalsContact C-N 3.35Å; M203-I205 PolarHBondContact O-N 3.01Å; I205-C207 PolarHBondContact O-N 2.79Å; I205-L208 CarbonylContact O-C 3.53Å; I205-L208 PolarHBondContact O-N 3.13Å; I205-A209 WeakPolarHBondContact O-CB 3.23Å; I205-A209 PolarHBondContact O-N 2.97Å; I205-L215 HydrophobicContact CG2-CD1 3.68Å; I205-L215 HydrophobicContact CG2-CG 4.48Å; I205-R218 HydrophobicContact CB-CB 4.47Å; I205-R218 HydrophobicContact CD1-CB 4.47Å; I205-R218 HydrophobicContact CG1-CB 4.18Å; I205-R218 HydrophobicContact CG2-CB 3.57Å; I205-L219 HydrophobicContact CD1-CD2 4.31Å; I205-L219 HydrophobicContact CG2-CD2 4.31Å; I205-L219 HydrophobicContact CG2-CG 4.28Å; I205-I222 HydrophobicContact CD1-CD1 3.49Å; I205-I222 VanDerWaalsContact CD1-CD1 3.49Å; I205-I222 HydrophobicContact CD1-CG1 3.49Å; I205-I222 VanDerWaalsContact CD1-CG1 3.49Å; I205-G519 VanDerWaalsContact CG1-C 3.44Å; I205-A520 HydrophobicContact CG1-CB 4.14Å |
| 206 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -37.6 | 176.4 | -179.5 | 144.9 | 0 | 0 | 0 | 111.4 | I133 I202 M203 L215 L248 A251 | I133-L206 HydrophobicContact CD1-CD1 4.03Å; I133-L206 HydrophobicContact CG1-CD1 4.13Å; I202-L206 WeakPolarHBondContact O-CB 3.5Å; I202-L206 PolarHBondContact O-N 2.96Å; M203-L206 PolarHBondContact O-N 2.85Å; L206-L215 HydrophobicContact CB-CD1 4.38Å; L206-L248 HydrophobicContact CD1-CD2 4.42Å; L206-A251 HydrophobicContact CD1-CB 4.31Å |
| 207 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75.1 | -23.6 | 178.8 | -65.9 | 0 | 0 | 0 | 0 | 113.9 | M203 A204 I205 G269 P271 S281 I282 | M203-C207 PolarHBondContact O-N 2.83Å; M203-C207 VanDerWaalsContact O-N 3.09Å; M203-C207 PolarHBondContact O-SG 2.81Å; A204-C207 PolarHBondContact O-N 3.24Å; I205-C207 PolarHBondContact O-N 2.79Å; C207-G269 VanDerWaalsContact SG-CA 3.55Å; C207-P271 HydrophobicContact CB-CG 4.26Å; C207-P271 VanDerWaalsContact SG-CD 3.57Å; C207-S281 CarbonylContact O-C 3.55Å; C207-S281 VanDerWaalsContact O-CA 3.29Å; C207-S281 WeakPolarHBondContact O-CA 3.28Å; C207-I282 WeakPolarHBondContact O-CG1 3.46Å; C207-I282 PolarHBondContact O-N 3.25Å |
| 208 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -104.5 | -5 | -178.7 | -67.4 | 173.2 | 0 | 0 | 0 | 114 | A204 I205 R218 I282 I313 A520 F522 | A204-L208 WeakPolarHBondContact O-CB 3.44Å; A204-L208 WeakPolarHBondContact O-CG 3.38Å; A204-L208 PolarHBondContact O-N 2.9Å; I205-L208 CarbonylContact O-C 3.53Å; I205-L208 PolarHBondContact O-N 3.13Å; L208-R218 PolarHBondContact O-NE 3.24Å; L208-R218 PolarHBondContact O-NH2 2.96Å; L208-R218 VanDerWaalsContact O-NH2 3.09Å; L208-I282 HydrophobicContact CB-CD1 4.48Å; L208-I282 HydrophobicContact CD2-CD1 4.16Å; L208-I282 WeakPolarHBondContact O-CD1 3.32Å; L208-I313 HydrophobicContact CD1-CG2 4.15Å; L208-I313 HydrophobicContact CD2-CG2 4.45Å; L208-A520 HydrophobicContact CD1-CB 4.46Å; L208-A520 VanDerWaalsContact CD1-O 3.28Å; L208-A520 WeakPolarHBondContact CD1-O 3.5Å; L208-F522 HydrophobicContact CD1-CD1 4.11Å; L208-F522 HydrophobicContact CD1-CE1 3.83Å |
| 209 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -70.3 | 138.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | I205 D214 L215 I252 | I205-A209 WeakPolarHBondContact O-CB 3.23Å; I205-A209 PolarHBondContact O-N 2.97Å; A209-D214 VanDerWaalsContact CA-OD2 3.28Å; A209-D214 WeakPolarHBondContact CA-OD2 3.33Å; A209-L215 HydrophobicContact CB-CB 3.85Å; A209-L215 HydrophobicContact CB-CD1 3.89Å; A209-I252 HydrophobicContact CB-CD1 4.4Å | ||
| 210 | T | 97.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 24.5 Ų | 24.5 | 16% | 0.16 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -88 | -21.2 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | D214 I282 L283 R286 | T210-D214 PolarHBondContact N-OD2 2.73Å; T210-D214 VanDerWaalsContact OG1-CB 3.3Å; T210-D214 WeakPolarHBondContact OG1-CB 3.38Å; T210-D214 PolarHBondContact OG1-OD2 3.03Å; T210-I282 HydrophobicContact CG2-CG2 4.49Å; T210-L283 WeakPolarHBondContact O-CD2 3.22Å; T210-R286 VanDerWaalsContact CB-NH1 3.34Å; T210-R286 VanDerWaalsContact CG2-NH1 3.34Å |
| 211 | D | 97.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -170.7 | -178.4 | -178.9 | 53.1 | 68.3 | 0 | 0 | 0 | 109.1 | E213 D214 L215 | D211-E213 VanDerWaalsContact C-N 3.31Å; D211-E213 PolarHBondContact O-N 2.79Å; D211-E213 WeakPolarHBondContact OD1-CA 3.48Å; D211-E213 WeakPolarHBondContact OD1-CB 3.44Å; D211-E213 PolarHBondContact OD1-N 3.24Å; D211-D214 PolarHBondContact OD1-N 3.29Å; D211-L215 WeakPolarHBondContact O-CB 3.46Å; D211-L215 PolarHBondContact O-N 3.29Å |
| 212 | I | 97.2 | Very high | 98.4 | Very high | 59 Ų | 59 | 27 Ų | 27 | 30% | 0.303 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.2 | -28 | -178.1 | -164.3 | 67.7 | 0 | 0 | 0 | 113.2 | L215 K216 I252 | I212-L215 HydrophobicContact CD1-CD2 3.82Å; I212-K216 WeakPolarHBondContact O-CB 3.47Å; I212-K216 PolarHBondContact O-N 2.68Å; I212-I252 HydrophobicContact CD1-CD1 4.21Å; I212-I252 HydrophobicContact CD1-CG2 4.25Å |
| 213 | E | 97.7 | Very high | 98.4 | Very high | 105 Ų | 105 | 27.2 Ų | 27.2 | 49% | 0.491 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -76.3 | -44 | 179.7 | -167.8 | 61.2 | -153 | 0 | 0 | 110.1 | D211 L215 K216 Q217 | D211-E213 VanDerWaalsContact C-N 3.31Å; D211-E213 PolarHBondContact O-N 2.79Å; D211-E213 WeakPolarHBondContact OD1-CA 3.48Å; D211-E213 WeakPolarHBondContact OD1-CB 3.44Å; D211-E213 PolarHBondContact OD1-N 3.24Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.77Å; E213-K216 PolarHBondContact O-N 3.3Å; E213-K216 WeakPolarHBondContact OE1-CE 3.34Å; E213-K216 IonicContact OE1-NZ 3.28Å; E213-K216 PolarHBondContact OE1-NZ 3.34Å; E213-K216 IonicContact OE2-NZ 2.64Å; E213-K216 PolarHBondContact OE2-NZ 3.02Å; E213-Q217 PolarHBondContact O-N 2.85Å |
| 214 | D | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 27.2 Ų | 27.2 | 20% | 0.203 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 171 | -175.1 | 40.5 | 0 | 0 | 0 | 111.2 | A209 T210 D211 K216 Q217 R218 | A209-D214 VanDerWaalsContact CA-OD2 3.28Å; A209-D214 WeakPolarHBondContact CA-OD2 3.33Å; T210-D214 PolarHBondContact N-OD2 2.73Å; T210-D214 VanDerWaalsContact OG1-CB 3.3Å; T210-D214 WeakPolarHBondContact OG1-CB 3.38Å; T210-D214 PolarHBondContact OG1-OD2 3.03Å; D211-D214 PolarHBondContact OD1-N 3.29Å; D214-K216 PolarHBondContact O-N 3.2Å; D214-Q217 PolarHBondContact O-N 3.15Å; D214-R218 VanDerWaalsContact CG-NE 3.27Å; D214-R218 WeakPolarHBondContact O-CB 3.1Å; D214-R218 WeakPolarHBondContact O-CG 3.27Å; D214-R218 PolarHBondContact O-N 3.16Å; D214-R218 IonicContact OD1-CZ 3.6Å; D214-R218 IonicContact OD1-NE 3.42Å; D214-R218 PolarHBondContact OD1-NE 2.89Å; D214-R218 VanDerWaalsContact OD1-NE 3.12Å; D214-R218 IonicContact OD1-NH2 2.78Å; D214-R218 IonicContact OD2-CZ 3.73Å; D214-R218 IonicContact OD2-NE 3.9Å; D214-R218 PolarHBondContact OD2-NE 2.84Å; D214-R218 IonicContact OD2-NH2 3.05Å; D214-R218 PolarHBondContact OD2-NH2 2.99Å |
| 215 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | 172.3 | -176.5 | 83.2 | 0 | 0 | 0 | 110.9 | I205 L206 A209 D211 I212 E213 Q217 R218 L219 L248 I252 | I205-L215 HydrophobicContact CG2-CD1 3.68Å; I205-L215 HydrophobicContact CG2-CG 4.48Å; L206-L215 HydrophobicContact CB-CD1 4.38Å; A209-L215 HydrophobicContact CB-CB 3.85Å; A209-L215 HydrophobicContact CB-CD1 3.89Å; D211-L215 WeakPolarHBondContact O-CB 3.46Å; D211-L215 PolarHBondContact O-N 3.29Å; I212-L215 HydrophobicContact CD1-CD2 3.82Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.77Å; L215-Q217 PolarHBondContact O-N 3.33Å; L215-R218 PolarHBondContact O-N 3.25Å; L215-L219 HydrophobicContact CD2-CD1 4.2Å; L215-L219 HydrophobicContact CG-CD1 3.97Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 VanDerWaalsContact O-CG 3.22Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 2.83Å; L215-L248 HydrophobicContact CD2-CB 3.87Å; L215-L248 HydrophobicContact CD2-CD1 4.1Å; L215-I252 HydrophobicContact CB-CD1 3.89Å; L215-I252 HydrophobicContact CD1-CD1 4.34Å; L215-I252 HydrophobicContact CD2-CD1 4.03Å; L215-I252 HydrophobicContact CD2-CG1 4.48Å; L215-I252 HydrophobicContact CG-CD1 4.3Å |
| 216 | K | 98.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 27% | 0.274 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -178 | -170.6 | -178.3 | 72.6 | -156.7 | 0 | 111.8 | I212 E213 D214 L219 S220 E241 A245 | I212-K216 WeakPolarHBondContact O-CB 3.47Å; I212-K216 PolarHBondContact O-N 2.68Å; E213-K216 PolarHBondContact O-N 3.3Å; E213-K216 WeakPolarHBondContact OE1-CE 3.34Å; E213-K216 IonicContact OE1-NZ 3.28Å; E213-K216 PolarHBondContact OE1-NZ 3.34Å; E213-K216 IonicContact OE2-NZ 2.64Å; E213-K216 PolarHBondContact OE2-NZ 3.02Å; D214-K216 PolarHBondContact O-N 3.2Å; K216-L219 PolarHBondContact O-N 2.87Å; K216-S220 PolarHBondContact O-N 3.41Å; K216-E241 HydrophobicContact CG-CB 4.3Å; K216-E241 HydrophobicContact CG-CG 3.94Å; K216-A245 HydrophobicContact CB-CB 4.04Å; K216-A245 HydrophobicContact CD-CB 4.5Å; K216-A245 HydrophobicContact CG-CB 4.07Å |
| 217 | Q | 98.7 | Very high | 98.3 | Very high | 102 Ų | 102 | 29.9 Ų | 29.9 | 48% | 0.477 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.5 | -176.2 | 57.7 | 69.5 | 0 | 0 | 112 | E213 D214 L215 S220 N221 | E213-Q217 PolarHBondContact O-N 2.85Å; D214-Q217 PolarHBondContact O-N 3.15Å; L215-Q217 PolarHBondContact O-N 3.33Å; Q217-S220 WeakPolarHBondContact O-CB 3.32Å; Q217-S220 PolarHBondContact O-N 3.03Å; Q217-N221 PolarHBondContact NE2-OD1 2.88Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.49Å; Q217-N221 PolarHBondContact O-ND2 3.14Å |
| 218 | R | 98.7 | Very high | 98.3 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.3 | -73.8 | 173.2 | -176.8 | -88.4 | 5.6 | 112 | I205 L208 D214 L215 S220 N221 S317 G519 A520 | I205-R218 HydrophobicContact CB-CB 4.47Å; I205-R218 HydrophobicContact CD1-CB 4.47Å; I205-R218 HydrophobicContact CG1-CB 4.18Å; I205-R218 HydrophobicContact CG2-CB 3.57Å; L208-R218 PolarHBondContact O-NE 3.24Å; L208-R218 PolarHBondContact O-NH2 2.96Å; L208-R218 VanDerWaalsContact O-NH2 3.09Å; D214-R218 VanDerWaalsContact CG-NE 3.27Å; D214-R218 WeakPolarHBondContact O-CB 3.1Å; D214-R218 WeakPolarHBondContact O-CG 3.27Å; D214-R218 PolarHBondContact O-N 3.16Å; D214-R218 IonicContact OD1-CZ 3.6Å; D214-R218 IonicContact OD1-NE 3.42Å; D214-R218 PolarHBondContact OD1-NE 2.89Å; D214-R218 VanDerWaalsContact OD1-NE 3.12Å; D214-R218 IonicContact OD1-NH2 2.78Å; D214-R218 IonicContact OD2-CZ 3.73Å; D214-R218 IonicContact OD2-NE 3.9Å; D214-R218 PolarHBondContact OD2-NE 2.84Å; D214-R218 IonicContact OD2-NH2 3.05Å; D214-R218 PolarHBondContact OD2-NH2 2.99Å; L215-R218 PolarHBondContact O-N 3.25Å; R218-S220 VanDerWaalsContact C-N 3.32Å; R218-S220 PolarHBondContact O-N 2.96Å; R218-N221 PolarHBondContact O-N 3.03Å; R218-N221 VanDerWaalsContact O-N 3.13Å; R218-S317 PolarHBondContact NH2-OG 2.85Å; R218-G519 VanDerWaalsContact CB-O 3.24Å; R218-G519 WeakPolarHBondContact CB-O 3.32Å; R218-G519 WeakPolarHBondContact CG-O 3.38Å; R218-G519 WeakPolarHBondContact O-CA 3.41Å; R218-A520 PolarHBondContact NH1-O 3.11Å |
| 219 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 174.6 | -71.5 | 168.1 | 0 | 0 | 0 | 111 | I202 I205 L215 K216 N221 I222 V235 E241 L244 A245 L248 | I202-L219 HydrophobicContact CD1-CD2 4.39Å; I202-L219 HydrophobicContact CG1-CD2 3.99Å; I202-L219 HydrophobicContact CG2-CD2 4.47Å; I205-L219 HydrophobicContact CD1-CD2 4.31Å; I205-L219 HydrophobicContact CG2-CD2 4.31Å; I205-L219 HydrophobicContact CG2-CG 4.28Å; L215-L219 HydrophobicContact CD2-CD1 4.2Å; L215-L219 HydrophobicContact CG-CD1 3.97Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 VanDerWaalsContact O-CG 3.22Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 2.83Å; K216-L219 PolarHBondContact O-N 2.87Å; L219-N221 PolarHBondContact O-N 3.2Å; L219-I222 HydrophobicContact CD2-CD1 3.96Å; L219-I222 WeakPolarHBondContact O-CB 3.4Å; L219-I222 WeakPolarHBondContact O-CG1 2.99Å; L219-I222 PolarHBondContact O-N 2.92Å; L219-V235 WeakPolarHBondContact O-CB 3.33Å; L219-V235 WeakPolarHBondContact O-CG2 3.4Å; L219-E241 HydrophobicContact CB-CB 4.35Å; L219-L244 HydrophobicContact CD1-CB 3.96Å; L219-A245 HydrophobicContact CD1-CB 4.21Å; L219-L248 HydrophobicContact CD1-CD1 4.05Å; L219-L248 HydrophobicContact CD2-CD1 4.33Å |
| 220 | S | 98.8 | Very high | 98 | Very high | 20 Ų | 20 | 48 Ų | 48 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.1 | -32.4 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | K216 Q217 R218 T234 G236 | K216-S220 PolarHBondContact O-N 3.41Å; Q217-S220 WeakPolarHBondContact O-CB 3.32Å; Q217-S220 PolarHBondContact O-N 3.03Å; R218-S220 VanDerWaalsContact C-N 3.32Å; R218-S220 PolarHBondContact O-N 2.96Å; S220-T234 WeakPolarHBondContact O-CB 3.15Å; S220-G236 PolarHBondContact O-N 3.47Å; S220-G236 VanDerWaalsContact OG-CA 3.28Å; S220-G236 WeakPolarHBondContact OG-CA 3.28Å |
| 221 | N | 98.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 35% | 0.348 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.7 | -175 | -67.7 | -15.8 | 0 | 0 | 0 | 114 | Q217 R218 L219 V223 I518 | Q217-N221 PolarHBondContact NE2-OD1 2.88Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.49Å; Q217-N221 PolarHBondContact O-ND2 3.14Å; R218-N221 PolarHBondContact O-N 3.03Å; R218-N221 VanDerWaalsContact O-N 3.13Å; L219-N221 PolarHBondContact O-N 3.2Å; N221-V223 PolarHBondContact O-N 3.09Å; N221-I518 HydrophobicContact CB-CG2 4.42Å |
| 222 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -59.9 | 127.1 | 177.8 | -64.6 | 170.6 | 0 | 0 | 0 | 109.3 | W163 I202 I205 L219 V224 T234 V235 | W163-I222 HydrophobicContact CE3-CG2 3.73Å; W163-I222 HydrophobicContact CH2-CD1 4.16Å; W163-I222 HydrophobicContact CH2-CG2 4.17Å; W163-I222 HydrophobicContact CZ3-CD1 4.38Å; W163-I222 HydrophobicContact CZ3-CG2 3.41Å; W163-I222 VanDerWaalsContact CZ3-CG2 3.41Å; I202-I222 HydrophobicContact CG1-CD1 4.23Å; I205-I222 HydrophobicContact CD1-CD1 3.49Å; I205-I222 VanDerWaalsContact CD1-CD1 3.49Å; I205-I222 HydrophobicContact CD1-CG1 3.49Å; I205-I222 VanDerWaalsContact CD1-CG1 3.49Å; L219-I222 HydrophobicContact CD2-CD1 3.96Å; L219-I222 WeakPolarHBondContact O-CB 3.4Å; L219-I222 WeakPolarHBondContact O-CG1 2.99Å; L219-I222 PolarHBondContact O-N 2.92Å; I222-V224 HydrophobicContact CG2-CG1 3.88Å; I222-T234 CarbonylContact O-C 3.57Å; I222-T234 WeakPolarHBondContact O-CA 3.26Å; I222-T234 WeakPolarHBondContact O-CB 3.21Å; I222-V235 HydrophobicContact CB-CG2 3.71Å; I222-V235 HydrophobicContact CD1-CG2 4.38Å; I222-V235 HydrophobicContact CG2-CG2 4.14Å; I222-V235 PolarHBondContact O-N 3.31Å | ||
| 223 | V | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.7 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | I162 N221 P232 T234 W480 I518 | I162-V223 HydrophobicContact CD1-CB 4.44Å; I162-V223 HydrophobicContact CD1-CG1 4.08Å; I162-V223 WeakPolarHBondContact CD1-O 3.38Å; N221-V223 PolarHBondContact O-N 3.09Å; V223-P232 HydrophobicContact CG1-CB 3.87Å; V223-P232 HydrophobicContact CG2-CB 4.34Å; V223-T234 HydrophobicContact CG2-CG2 4.26Å; V223-W480 HydrophobicContact CG2-CH2 3.79Å; V223-W480 HydrophobicContact CG2-CZ2 3.86Å; V223-I518 HydrophobicContact CG2-CB 4.29Å; V223-I518 HydrophobicContact CG2-CG1 3.89Å |
| 224 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -28.3 | -175.2 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | L140 L144 I162 W163 I222 V233 V235 L238 | L140-V224 HydrophobicContact CD1-CG1 4.21Å; L140-V224 HydrophobicContact CD2-CG1 3.84Å; L140-V224 HydrophobicContact CG-CG1 4.2Å; L144-V224 HydrophobicContact CD1-CG2 4.1Å; L144-V224 HydrophobicContact CD2-CB 4.3Å; L144-V224 HydrophobicContact CD2-CG2 4.47Å; I162-V224 WeakPolarHBondContact CG1-O 3.13Å; I162-V224 PolarHBondContact N-O 3.26Å; W163-V224 HydrophobicContact CB-CB 3.91Å; W163-V224 HydrophobicContact CB-CG1 4.16Å; W163-V224 HydrophobicContact CD2-CG1 4.25Å; W163-V224 HydrophobicContact CE3-CG1 4.31Å; W163-V224 HydrophobicContact CG-CB 4.44Å; W163-V224 HydrophobicContact CG-CG1 4.18Å; W163-V224 PolarHBondContact N-O 3.48Å; I222-V224 HydrophobicContact CG2-CG1 3.88Å; V224-V233 HydrophobicContact CG2-CG1 4.37Å; V224-V233 WeakPolarHBondContact CG2-O 3.45Å; V224-V233 PolarHBondContact N-O 3.32Å; V224-V235 HydrophobicContact CG1-CG2 3.88Å; V224-L238 HydrophobicContact CG2-CD1 4.06Å |
| 225 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I156 R160 V161 V233 | I156-A225 HydrophobicContact CG2-CB 3.63Å; R160-A225 WeakPolarHBondContact O-CA 3.43Å; V161-A225 HydrophobicContact CB-CB 4.49Å; V161-A225 HydrophobicContact CG2-CB 4.06Å; A225-V233 PolarHBondContact N-O 2.86Å; A225-V233 PolarHBondContact O-N 3.42Å |
| 226 | Y | 97.8 | Very high | 98 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.7 | 168.1 | -61.2 | -97.4 | 0 | 0 | 0 | 110.6 | D157 R160 I162 E231 P232 | D157-Y226 PolarHBondContact N-O 3.5Å; R160-Y226 HydrophobicContact CB-CD2 4.46Å; R160-Y226 PolarHBondContact O-N 3.14Å; R160-Y226 VanDerWaalsContact O-N 3.16Å; I162-Y226 HydrophobicContact CD1-CE2 4.12Å; I162-Y226 HydrophobicContact CG2-CD2 4.36Å; I162-Y226 HydrophobicContact CG2-CE2 3.97Å; Y226-E231 CarbonylContact C-O 3.48Å; Y226-E231 VanDerWaalsContact CA-O 3.23Å; Y226-E231 WeakPolarHBondContact CA-O 3.47Å; Y226-P232 HydrophobicContact CD1-CB 4.24Å; Y226-P232 HydrophobicContact CE1-CB 4.02Å |
| 227 | T | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 43 Ų | 43 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 171.9 | 173.6 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | L154 N155 D229 R230 E231 V233 | L154-T227 VanDerWaalsContact O-CG2 3.28Å; L154-T227 WeakPolarHBondContact O-CG2 3.49Å; N155-T227 CarbonylContact O-C 3.53Å; N155-T227 WeakPolarHBondContact O-CA 3.1Å; N155-T227 WeakPolarHBondContact O-CB 3.32Å; T227-D229 PolarHBondContact O-N 3.37Å; T227-D229 PolarHBondContact OG1-N 3.19Å; T227-R230 WeakPolarHBondContact O-CA 3.4Å; T227-R230 PolarHBondContact O-N 2.92Å; T227-R230 PolarHBondContact OG1-N 3.37Å; T227-E231 HydrophobicContact CG2-CB 4.42Å; T227-E231 PolarHBondContact N-O 3.01Å; T227-E231 PolarHBondContact OG1-N 2.84Å; T227-E231 VanDerWaalsContact OG1-N 3.12Å; T227-V233 HydrophobicContact CG2-CG2 3.56Å |
| 228 | F | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 39.3 Ų | 39.3 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.4 | 170 | -72 | -83.4 | 0 | 0 | 0 | 113 | N155 I156 D157 R230 | N155-F228 VanDerWaalsContact O-CD2 3.24Å; N155-F228 WeakPolarHBondContact O-CD2 3.34Å; N155-F228 PolarHBondContact O-N 3.38Å; N155-F228 VanDerWaalsContact O-N 3.1Å; N155-F228 WeakPolarHBondContact OD1-CD2 3.45Å; I156-F228 WeakPolarHBondContact O-CE2 3.34Å; D157-F228 HydrophobicContact CB-CD1 3.97Å; D157-F228 HydrophobicContact CB-CD2 4.38Å; D157-F228 HydrophobicContact CB-CE1 4.04Å; D157-F228 HydrophobicContact CB-CE2 4.46Å; D157-F228 HydrophobicContact CB-CG 4.15Å; D157-F228 HydrophobicContact CB-CZ 4.3Å; F228-R230 PolarHBondContact O-N 3.45Å |
| 229 | D | 96.9 | Very high | 98 | Very high | 123 Ų | 123 | 46.1 Ų | 46.1 | 66% | 0.658 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.3 | 175.7 | -57.6 | -50.7 | 0 | 0 | 0 | 113.1 | T227 E231 | T227-D229 PolarHBondContact O-N 3.37Å; T227-D229 PolarHBondContact OG1-N 3.19Å; D229-E231 VanDerWaalsContact C-N 3.35Å |
| 230 | R | 94.3 | Very high | 98 | Very high | 159 Ų | 159 | 47.2 Ų | 47.2 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | trans | 68.4 | 26.7 | 178.8 | -45.8 | -178.7 | 176.8 | -163.2 | 0.4 | 114.8 | T227 F228 | T227-R230 WeakPolarHBondContact O-CA 3.4Å; T227-R230 PolarHBondContact O-N 2.92Å; T227-R230 PolarHBondContact OG1-N 3.37Å; F228-R230 PolarHBondContact O-N 3.45Å | ||
| 231 | E | 96.7 | Very high | 98 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | -85.3 | 141.1 | 168.5 | -61.2 | -57.9 | 139.2 | 0 | 0 | 109.8 | Y226 T227 D229 K477 Y478 | Y226-E231 CarbonylContact C-O 3.48Å; Y226-E231 VanDerWaalsContact CA-O 3.23Å; Y226-E231 WeakPolarHBondContact CA-O 3.47Å; T227-E231 HydrophobicContact CG2-CB 4.42Å; T227-E231 PolarHBondContact N-O 3.01Å; T227-E231 PolarHBondContact OG1-N 2.84Å; T227-E231 VanDerWaalsContact OG1-N 3.12Å; D229-E231 VanDerWaalsContact C-N 3.35Å; E231-K477 IonicContact OE1-NZ 3.49Å; E231-K477 PolarHBondContact OE1-NZ 3.25Å; E231-K477 IonicContact OE2-NZ 2.69Å; E231-K477 PolarHBondContact OE2-NZ 2.95Å; E231-Y478 PolarHBondContact OE2-OH 3.11Å | ||
| 232 | P | 97.2 | Very high | 98 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 143 | 179 | 28.5 | -34.4 | 0 | 0 | 0 | 110.9 | V223 Y226 Y478 W480 | V223-P232 HydrophobicContact CG1-CB 3.87Å; V223-P232 HydrophobicContact CG2-CB 4.34Å; Y226-P232 HydrophobicContact CD1-CB 4.24Å; Y226-P232 HydrophobicContact CE1-CB 4.02Å; P232-Y478 WeakPolarHBondContact CD-OH 3.49Å; P232-Y478 HydrophobicContact CG-CD1 4.33Å; P232-Y478 HydrophobicContact CG-CE1 3.91Å; P232-Y478 HydrophobicContact CG-CE2 4.45Å; P232-W480 HydrophobicContact CB-CH2 4.02Å; P232-W480 HydrophobicContact CB-CZ2 4.4Å; P232-W480 HydrophobicContact CG-CH2 4.26Å; P232-W480 HydrophobicContact CG-CZ2 4.34Å |
| 233 | V | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.7 | 171.9 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | L154 I156 V224 A225 T227 D237 | L154-V233 HydrophobicContact CD1-CG1 3.84Å; I156-V233 HydrophobicContact CD1-CG1 4.12Å; I156-V233 HydrophobicContact CG1-CG1 4.36Å; I156-V233 HydrophobicContact CG1-CG2 4.16Å; V224-V233 HydrophobicContact CG2-CG1 4.37Å; V224-V233 WeakPolarHBondContact CG2-O 3.45Å; V224-V233 PolarHBondContact N-O 3.32Å; A225-V233 PolarHBondContact N-O 2.86Å; A225-V233 PolarHBondContact O-N 3.42Å; T227-V233 HydrophobicContact CG2-CG2 3.56Å; V233-D237 HydrophobicContact CG1-CB 4.16Å |
| 234 | T | 98.6 | Very high | 98 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 168.8 | -176.7 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | S220 I222 V223 G236 D237 L238 | S220-T234 WeakPolarHBondContact O-CB 3.15Å; I222-T234 CarbonylContact O-C 3.57Å; I222-T234 WeakPolarHBondContact O-CA 3.26Å; I222-T234 WeakPolarHBondContact O-CB 3.21Å; V223-T234 HydrophobicContact CG2-CG2 4.26Å; T234-G236 VanDerWaalsContact C-N 3.27Å; T234-G236 PolarHBondContact OG1-N 2.9Å; T234-D237 WeakPolarHBondContact CB-OD2 3.32Å; T234-D237 PolarHBondContact N-OD2 3.37Å; T234-D237 WeakPolarHBondContact O-CB 3.4Å; T234-D237 PolarHBondContact O-N 3.34Å; T234-D237 PolarHBondContact OG1-N 2.96Å; T234-D237 PolarHBondContact OG1-OD2 2.61Å; T234-L238 PolarHBondContact O-N 3.2Å |
| 235 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 168.9 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L140 L219 I222 V224 D237 L238 K239 V240 E241 L244 | L140-V235 HydrophobicContact CD1-CG2 3.77Å; L140-V235 HydrophobicContact CD2-CG2 3.5Å; L140-V235 HydrophobicContact CG-CG2 4.3Å; L219-V235 WeakPolarHBondContact O-CB 3.33Å; L219-V235 WeakPolarHBondContact O-CG2 3.4Å; I222-V235 HydrophobicContact CB-CG2 3.71Å; I222-V235 HydrophobicContact CD1-CG2 4.38Å; I222-V235 HydrophobicContact CG2-CG2 4.14Å; I222-V235 PolarHBondContact O-N 3.31Å; V224-V235 HydrophobicContact CG1-CG2 3.88Å; V235-D237 VanDerWaalsContact C-N 3.27Å; V235-D237 PolarHBondContact O-N 2.89Å; V235-L238 CarbonylContact O-C 3.12Å; V235-L238 WeakPolarHBondContact O-CA 3.48Å; V235-L238 WeakPolarHBondContact O-CB 3.48Å; V235-L238 PolarHBondContact O-N 3.42Å; V235-L238 VanDerWaalsContact O-N 3.08Å; V235-K239 PolarHBondContact O-N 3.48Å; V235-V240 HydrophobicContact CG1-CG2 3.9Å; V235-E241 HydrophobicContact CG1-CB 3.94Å; V235-L244 HydrophobicContact CG1-CD1 3.91Å |
| 236 | G | 98.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 56 Ų | 56 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S220 T234 L238 K239 | S220-G236 PolarHBondContact O-N 3.47Å; S220-G236 VanDerWaalsContact OG-CA 3.28Å; S220-G236 WeakPolarHBondContact OG-CA 3.28Å; T234-G236 VanDerWaalsContact C-N 3.27Å; T234-G236 PolarHBondContact OG1-N 2.9Å; G236-L238 VanDerWaalsContact C-N 3.29Å; G236-L238 PolarHBondContact O-N 2.87Å; G236-K239 WeakPolarHBondContact O-CG 3.23Å; G236-K239 PolarHBondContact O-N 2.84Å; G236-K239 VanDerWaalsContact O-N 3.12Å |
| 237 | D | 98.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -33.5 | 173.6 | -60.3 | -50.7 | 0 | 0 | 0 | 111.9 | L154 V233 T234 V235 K239 | L154-D237 HydrophobicContact CD1-CB 3.98Å; L154-D237 HydrophobicContact CD2-CB 4.22Å; V233-D237 HydrophobicContact CG1-CB 4.16Å; T234-D237 WeakPolarHBondContact CB-OD2 3.32Å; T234-D237 PolarHBondContact N-OD2 3.37Å; T234-D237 WeakPolarHBondContact O-CB 3.4Å; T234-D237 PolarHBondContact O-N 3.34Å; T234-D237 PolarHBondContact OG1-N 2.96Å; T234-D237 PolarHBondContact OG1-OD2 2.61Å; V235-D237 VanDerWaalsContact C-N 3.27Å; V235-D237 PolarHBondContact O-N 2.89Å; D237-K239 VanDerWaalsContact C-N 3.33Å |
| 238 | L | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.3 | -19.3 | 172.9 | -65.3 | 172.3 | 0 | 0 | 0 | 112.8 | L140 L144 H147 L154 V224 T234 V235 G236 V240 | L140-L238 HydrophobicContact CD1-CD1 4.07Å; L144-L238 HydrophobicContact CB-CD1 4.41Å; L144-L238 HydrophobicContact CD1-CD1 4.3Å; H147-L238 HydrophobicContact CB-CD2 3.88Å; L154-L238 HydrophobicContact CD1-CD2 3.73Å; L154-L238 HydrophobicContact CD1-CG 4.33Å; V224-L238 HydrophobicContact CG2-CD1 4.06Å; T234-L238 PolarHBondContact O-N 3.2Å; V235-L238 CarbonylContact O-C 3.12Å; V235-L238 WeakPolarHBondContact O-CA 3.48Å; V235-L238 WeakPolarHBondContact O-CB 3.48Å; V235-L238 PolarHBondContact O-N 3.42Å; V235-L238 VanDerWaalsContact O-N 3.08Å; G236-L238 VanDerWaalsContact C-N 3.29Å; G236-L238 PolarHBondContact O-N 2.87Å; L238-V240 HydrophobicContact CB-CG1 4.46Å; L238-V240 HydrophobicContact CB-CG2 3.98Å |
| 239 | K | 98.4 | Very high | 98.1 | Very high | 175 Ų | 175 | 55.1 Ų | 55.1 | 76% | 0.761 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 42.4 | -180 | -52.8 | 178.1 | -177.9 | 179.8 | 0 | 113.6 | V235 G236 D237 E241 | V235-K239 PolarHBondContact O-N 3.48Å; G236-K239 WeakPolarHBondContact O-CG 3.23Å; G236-K239 PolarHBondContact O-N 2.84Å; G236-K239 VanDerWaalsContact O-N 3.12Å; D237-K239 VanDerWaalsContact C-N 3.33Å; K239-E241 WeakPolarHBondContact CA-OE2 3.13Å |
| 240 | V | 98.5 | Very high | 98.2 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | trans | -121.8 | 2.1 | -175.8 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | L140 L143 V235 L238 G242 A243 L244 | L140-V240 HydrophobicContact CD1-CG2 4.14Å; L143-V240 HydrophobicContact CB-CG1 4.49Å; L143-V240 HydrophobicContact CD1-CB 3.88Å; L143-V240 HydrophobicContact CD1-CG1 3.95Å; L143-V240 HydrophobicContact CD1-CG2 4.07Å; L143-V240 HydrophobicContact CD2-CG1 4.29Å; L143-V240 HydrophobicContact CG-CG1 4.47Å; V235-V240 HydrophobicContact CG1-CG2 3.9Å; L238-V240 HydrophobicContact CB-CG1 4.46Å; L238-V240 HydrophobicContact CB-CG2 3.98Å; V240-G242 PolarHBondContact O-N 3.04Å; V240-A243 WeakPolarHBondContact O-CB 3.43Å; V240-A243 PolarHBondContact O-N 3.21Å; V240-L244 PolarHBondContact O-N 2.84Å; V240-L244 VanDerWaalsContact O-N 3.15Å | ||
| 241 | E | 98.5 | Very high | 98.4 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.8 | -36.2 | 179.8 | 66.3 | -75.7 | 176.7 | 0 | 0 | 112.8 | K216 L219 V235 K239 A243 L244 A245 | K216-E241 HydrophobicContact CG-CB 4.3Å; K216-E241 HydrophobicContact CG-CG 3.94Å; L219-E241 HydrophobicContact CB-CB 4.35Å; V235-E241 HydrophobicContact CG1-CB 3.94Å; K239-E241 WeakPolarHBondContact CA-OE2 3.13Å; E241-A243 PolarHBondContact O-N 3.22Å; E241-L244 PolarHBondContact O-N 2.87Å; E241-A245 WeakPolarHBondContact O-CB 3.44Å; E241-A245 PolarHBondContact O-N 3.05Å |
| 242 | G | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 41 Ų | 41 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V240 L246 | V240-G242 PolarHBondContact O-N 3.04Å; G242-L246 WeakPolarHBondContact O-CB 3.47Å; G242-L246 PolarHBondContact O-N 2.96Å |
| 243 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 40 Ų | 40 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V240 E241 L246 V247 | V240-A243 WeakPolarHBondContact O-CB 3.43Å; V240-A243 PolarHBondContact O-N 3.21Å; E241-A243 PolarHBondContact O-N 3.22Å; A243-L246 PolarHBondContact O-N 3.31Å; A243-V247 WeakPolarHBondContact O-CG2 3.47Å; A243-V247 PolarHBondContact O-N 3.38Å; A243-V247 VanDerWaalsContact O-N 3.14Å |
| 244 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 176.1 | -58.9 | -177.1 | 0 | 0 | 0 | 111.7 | A136 A139 L140 L219 V235 V240 E241 L246 V247 L248 | A136-L244 WeakPolarHBondContact O-CD2 3.42Å; A139-L244 HydrophobicContact CB-CD2 4.23Å; L140-L244 HydrophobicContact CB-CD1 4.09Å; L140-L244 HydrophobicContact CB-CD2 4.12Å; L140-L244 HydrophobicContact CD1-CD1 4.34Å; L140-L244 HydrophobicContact CD2-CD1 4.09Å; L140-L244 HydrophobicContact CG-CD1 4.41Å; L219-L244 HydrophobicContact CD1-CB 3.96Å; V235-L244 HydrophobicContact CG1-CD1 3.91Å; V240-L244 PolarHBondContact O-N 2.84Å; V240-L244 VanDerWaalsContact O-N 3.15Å; E241-L244 PolarHBondContact O-N 2.87Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 2.98Å; L244-V247 PolarHBondContact O-N 3.46Å; L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.16Å |
| 245 | A | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K216 L219 E241 L248 K249 | K216-A245 HydrophobicContact CB-CB 4.04Å; K216-A245 HydrophobicContact CD-CB 4.5Å; K216-A245 HydrophobicContact CG-CB 4.07Å; L219-A245 HydrophobicContact CD1-CB 4.21Å; E241-A245 WeakPolarHBondContact O-CB 3.44Å; E241-A245 PolarHBondContact O-N 3.05Å; A245-L248 CarbonylContact O-C 3.59Å; A245-L248 PolarHBondContact O-N 3.06Å; A245-K249 PolarHBondContact O-N 2.9Å |
| 246 | L | 98.5 | Very high | 98.6 | Very high | 123 Ų | 123 | 38.2 Ų | 38.2 | 64% | 0.644 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.7 | -42 | 176.2 | -179.2 | 61.9 | 0 | 0 | 0 | 112.4 | G242 A243 L244 L248 K249 | G242-L246 WeakPolarHBondContact O-CB 3.47Å; G242-L246 PolarHBondContact O-N 2.96Å; A243-L246 PolarHBondContact O-N 3.31Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 2.98Å; L246-L248 PolarHBondContact O-N 3.37Å; L246-K249 VanDerWaalsContact O-CB 3.27Å; L246-K249 WeakPolarHBondContact O-CB 3.48Å; L246-K249 PolarHBondContact O-N 3Å |
| 247 | V | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | T135 A136 A243 L244 | T135-V247 HydrophobicContact CG2-CG1 3.88Å; A136-V247 HydrophobicContact CB-CB 4.38Å; A136-V247 HydrophobicContact CB-CG1 4.01Å; A243-V247 WeakPolarHBondContact O-CG2 3.47Å; A243-V247 PolarHBondContact O-N 3.38Å; A243-V247 VanDerWaalsContact O-N 3.14Å; L244-V247 PolarHBondContact O-N 3.46Å |
| 248 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1 | -179.5 | -64.3 | 169.1 | 0 | 0 | 0 | 113.8 | A132 I133 A136 I202 L206 L215 L219 L244 A245 L246 D250 A251 I252 | A132-L248 HydrophobicContact CB-CD2 4.3Å; I133-L248 HydrophobicContact CG1-CD2 3.92Å; A136-L248 HydrophobicContact CB-CD1 4.09Å; A136-L248 HydrophobicContact CB-CD2 3.95Å; A136-L248 HydrophobicContact CB-CG 3.89Å; I202-L248 HydrophobicContact CG2-CD1 3.63Å; I202-L248 HydrophobicContact CG2-CD2 4.19Å; L206-L248 HydrophobicContact CD1-CD2 4.42Å; L215-L248 HydrophobicContact CD2-CB 3.87Å; L215-L248 HydrophobicContact CD2-CD1 4.1Å; L219-L248 HydrophobicContact CD1-CD1 4.05Å; L219-L248 HydrophobicContact CD2-CD1 4.33Å; L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.16Å; A245-L248 CarbonylContact O-C 3.59Å; A245-L248 PolarHBondContact O-N 3.06Å; L246-L248 PolarHBondContact O-N 3.37Å; L248-D250 VanDerWaalsContact C-N 3.32Å; L248-D250 PolarHBondContact O-N 2.68Å; L248-A251 HydrophobicContact CD2-CB 4.48Å; L248-A251 PolarHBondContact O-N 3.37Å; L248-A251 VanDerWaalsContact O-N 3.14Å; L248-I252 PolarHBondContact O-N 3.09Å |
| 249 | K | 98.4 | Very high | 98.6 | Very high | 82 Ų | 82 | 32.7 Ų | 32.7 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -46.8 | -171.5 | -175.3 | -171.2 | 108.2 | -80.5 | 0 | 112.8 | F42 A245 L246 I252 | F42-K249 HydrophobicContact CE2-CG 4.27Å; F42-K249 VanDerWaalsContact CZ-O 3.31Å; F42-K249 WeakPolarHBondContact CZ-O 3.3Å; A245-K249 PolarHBondContact O-N 2.9Å; L246-K249 VanDerWaalsContact O-CB 3.27Å; L246-K249 WeakPolarHBondContact O-CB 3.48Å; L246-K249 PolarHBondContact O-N 3Å; K249-I252 WeakPolarHBondContact O-CG2 3.27Å |
| 250 | D | 98.3 | Very high | 98.6 | Very high | 61 Ų | 61 | 25.5 Ų | 25.5 | 33% | 0.326 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -30.3 | -178.1 | -56.6 | -45.9 | 0 | 0 | 0 | 111.3 | K39 L248 I252 K253 | K39-D250 WeakPolarHBondContact CD-O 3.33Å; K39-D250 WeakPolarHBondContact CE-O 3.33Å; K39-D250 PolarHBondContact NZ-O 2.81Å; L248-D250 VanDerWaalsContact C-N 3.32Å; L248-D250 PolarHBondContact O-N 2.68Å; D250-I252 PolarHBondContact O-N 3.12Å; D250-K253 WeakPolarHBondContact O-CB 3.33Å; D250-K253 PolarHBondContact O-N 3.49Å; D250-K253 VanDerWaalsContact O-N 3.15Å; D250-K253 IonicContact OD1-NZ 3.23Å |
| 251 | A | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D129 A132 L206 L248 K253 H268 | D129-A251 HydrophobicContact CB-CB 4.34Å; D129-A251 WeakPolarHBondContact OD1-CA 3.33Å; A132-A251 HydrophobicContact CB-CB 3.53Å; L206-A251 HydrophobicContact CD1-CB 4.31Å; L248-A251 HydrophobicContact CD2-CB 4.48Å; L248-A251 PolarHBondContact O-N 3.37Å; L248-A251 VanDerWaalsContact O-N 3.14Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-H268 PolarHBondContact O-NE2 3.26Å |
| 252 | I | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -17.1 | 176.1 | -150 | -168.2 | 0 | 0 | 0 | 112.7 | F42 A209 I212 L215 L248 K249 D250 H268 L283 | F42-I252 HydrophobicContact CE1-CG2 3.66Å; F42-I252 HydrophobicContact CZ-CG2 3.66Å; A209-I252 HydrophobicContact CB-CD1 4.4Å; I212-I252 HydrophobicContact CD1-CD1 4.21Å; I212-I252 HydrophobicContact CD1-CG2 4.25Å; L215-I252 HydrophobicContact CB-CD1 3.89Å; L215-I252 HydrophobicContact CD1-CD1 4.34Å; L215-I252 HydrophobicContact CD2-CD1 4.03Å; L215-I252 HydrophobicContact CD2-CG1 4.48Å; L215-I252 HydrophobicContact CG-CD1 4.3Å; L248-I252 PolarHBondContact O-N 3.09Å; K249-I252 WeakPolarHBondContact O-CG2 3.27Å; D250-I252 PolarHBondContact O-N 3.12Å; I252-H268 PolarHBondContact O-CE1 3.38Å; I252-L283 HydrophobicContact CD1-CD1 3.79Å; I252-L283 HydrophobicContact CG1-CD1 3.61Å; I252-L283 VanDerWaalsContact O-CD1 3.3Å; I252-L283 WeakPolarHBondContact O-CD1 3.47Å |
| 253 | K | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -76 | 126.1 | -179.8 | -59.7 | -178.6 | -170.7 | -178.5 | 0 | 110.1 | E31 K39 I40 E41 F42 D250 A251 H268 | E31-K253 IonicContact OE2-NZ 3.35Å; E31-K253 PolarHBondContact OE2-NZ 3.3Å; K39-K253 HydrophobicContact CB-CB 4.02Å; K39-K253 HydrophobicContact CB-CD 4.26Å; K39-K253 HydrophobicContact CD-CB 4.13Å; K39-K253 HydrophobicContact CG-CB 4.2Å; K39-K253 PolarHBondContact NZ-O 3.27Å; I40-K253 WeakPolarHBondContact O-CB 3.5Å; I40-K253 WeakPolarHBondContact O-CD 3.45Å; E41-K253 IonicContact OE1-NZ 2.87Å; E41-K253 PolarHBondContact OE1-NZ 3.12Å; E41-K253 IonicContact OE2-NZ 3.86Å; E41-K253 PolarHBondContact OE2-NZ 3.16Å; F42-K253 HydrophobicContact CE1-CG 4.32Å; F42-K253 HydrophobicContact CE2-CD 4.47Å; F42-K253 HydrophobicContact CE2-CG 4.3Å; F42-K253 HydrophobicContact CZ-CG 4.08Å; D250-K253 WeakPolarHBondContact O-CB 3.33Å; D250-K253 PolarHBondContact O-N 3.49Å; D250-K253 VanDerWaalsContact O-N 3.15Å; D250-K253 IonicContact OD1-NZ 3.23Å; A251-K253 VanDerWaalsContact C-N 3.3Å; K253-H268 PolarHBondContact O-NE2 2.94Å |
| 254 | P | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 142.5 | 177.1 | -25.3 | 35.5 | 0 | 0 | 0 | 113.3 | K39 I40 L45 F266 H268 L283 A284 | K39-P254 WeakPolarHBondContact CA-O 3.22Å; I40-P254 PolarHBondContact N-O 3.46Å; I40-P254 VanDerWaalsContact N-O 3.09Å; L45-P254 HydrophobicContact CD2-CG 4.26Å; P254-F266 HydrophobicContact CB-CD1 3.82Å; P254-F266 HydrophobicContact CB-CE1 4.21Å; P254-F266 HydrophobicContact CB-CG 4.42Å; P254-H268 HydrophobicContact CB-CB 4.45Å; P254-L283 HydrophobicContact CG-CB 3.94Å; P254-A284 HydrophobicContact CB-CB 4.04Å; P254-A284 HydrophobicContact CG-CB 4.28Å |
| 255 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.8 | 177.4 | -44.9 | -70.9 | 0 | 0 | 0 | 111 | A38 K39 F126 T127 D129 F266 V267 | A38-N255 CarbonylContact O-C 3.47Å; A38-N255 WeakPolarHBondContact O-CA 3.43Å; K39-N255 WeakPolarHBondContact CE-OD1 3.32Å; K39-N255 VanDerWaalsContact CG-OD1 3.24Å; K39-N255 WeakPolarHBondContact CG-OD1 3.47Å; K39-N255 PolarHBondContact NZ-OD1 3.1Å; F126-N255 HydrophobicContact CE1-CB 3.43Å; F126-N255 VanDerWaalsContact CE1-CB 3.43Å; F126-N255 VanDerWaalsContact CE1-ND2 3.32Å; F126-N255 WeakPolarHBondContact CE1-ND2 3.48Å; F126-N255 HydrophobicContact CZ-CB 3.41Å; F126-N255 VanDerWaalsContact CZ-CB 3.41Å; T127-N255 WeakPolarHBondContact CB-OD1 3.26Å; T127-N255 HydrophobicContact CG2-CB 4.27Å; T127-N255 WeakPolarHBondContact CG2-OD1 3.47Å; T127-N255 PolarHBondContact OG1-ND2 2.91Å; T127-N255 PolarHBondContact OG1-OD1 3.37Å; D129-N255 PolarHBondContact OD2-ND2 2.96Å; N255-F266 CarbonylContact O-C 3.58Å; N255-F266 VanDerWaalsContact O-CA 3.26Å; N255-F266 WeakPolarHBondContact O-CA 3.32Å; N255-V267 WeakPolarHBondContact CB-O 3.47Å; N255-V267 PolarHBondContact ND2-O 3.25Å; N255-V267 PolarHBondContact O-N 3.19Å |
| 256 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129 | 172.6 | -174.7 | 64.6 | 0 | 0 | 0 | 110.7 | I16 A20 I23 L30 K37 A38 I40 P264 F266 | I16-L256 HydrophobicContact CD1-CD2 4.42Å; I16-L256 HydrophobicContact CD1-CG 4.03Å; I16-L256 HydrophobicContact CG1-CD2 4.36Å; I16-L256 HydrophobicContact CG1-CG 4.33Å; A20-L256 HydrophobicContact CB-CD2 3.69Å; I23-L256 HydrophobicContact CD1-CD1 3.97Å; I23-L256 HydrophobicContact CD1-CD2 4.28Å; L30-L256 HydrophobicContact CD2-CD2 4.36Å; K37-L256 WeakPolarHBondContact CA-O 3.49Å; A38-L256 PolarHBondContact N-O 2.99Å; A38-L256 VanDerWaalsContact N-O 3.08Å; A38-L256 PolarHBondContact O-N 2.95Å; I40-L256 HydrophobicContact CD1-CB 3.96Å; I40-L256 HydrophobicContact CD1-CD2 4.3Å; L256-P264 HydrophobicContact CD1-CB 4.17Å; L256-F266 HydrophobicContact CB-CD1 4.28Å; L256-F266 HydrophobicContact CB-CE1 3.95Å; L256-F266 HydrophobicContact CD1-CD1 4.25Å; L256-F266 HydrophobicContact CD1-CE1 3.9Å; L256-F266 HydrophobicContact CD1-CZ 4.22Å; L256-F266 HydrophobicContact CG-CE1 4.47Å |
| 257 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | -166.5 | 173.5 | -69.5 | 0 | 0 | 0 | 0 | 109 | K37 V116 I122 F126 A265 V267 | K37-V257 HydrophobicContact CB-CG1 4.37Å; K37-V257 HydrophobicContact CG-CG1 4.03Å; V116-V257 HydrophobicContact CG1-CB 4.23Å; V116-V257 HydrophobicContact CG1-CG2 3.35Å; I122-V257 HydrophobicContact CD1-CG2 4.46Å; F126-V257 HydrophobicContact CE2-CG1 3.71Å; F126-V257 HydrophobicContact CZ-CG1 3.82Å; V257-A265 HydrophobicContact CG2-CB 4.17Å; V257-A265 VanDerWaalsContact CG2-O 3.23Å; V257-A265 WeakPolarHBondContact CG2-O 3.18Å; V257-A265 PolarHBondContact N-O 3.12Å; V257-A265 PolarHBondContact O-N 3.05Å; V257-V267 HydrophobicContact CG2-CB 4.32Å; V257-V267 HydrophobicContact CG2-CG2 3.54Å |
| 258 | Q | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 158.4 | -176.4 | 72.9 | -167.7 | -82.1 | 0 | 0 | 112.7 | L13 A14 V19 L117 T263 | L13-Q258 HydrophobicContact CD2-CG 4.22Å; A14-Q258 VanDerWaalsContact N-OE1 3.14Å; A14-Q258 PolarHBondContact O-NE2 3.12Å; V19-Q258 HydrophobicContact CG1-CB 4.07Å; V19-Q258 HydrophobicContact CG2-CB 3.93Å; V19-Q258 HydrophobicContact CG2-CG 4.48Å; L117-Q258 PolarHBondContact N-O 3.21Å; Q258-T263 CarbonylContact C-O 3.57Å; Q258-T263 VanDerWaalsContact CA-O 3.32Å; Q258-T263 WeakPolarHBondContact CA-O 3.47Å |
| 259 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 172.6 | 166.5 | 70 | 0 | 0 | 0 | 0 | 111.8 | I76 D80 I91 Q115 V116 Y261 Q262 T263 | I76-T259 HydrophobicContact CG2-CG2 3.73Å; D80-T259 VanDerWaalsContact OD1-CB 3.3Å; D80-T259 WeakPolarHBondContact OD1-CB 3.46Å; D80-T259 WeakPolarHBondContact OD1-CG2 3.41Å; D80-T259 PolarHBondContact OD1-OG1 2.92Å; I91-T259 HydrophobicContact CD1-CG2 3.55Å; Q115-T259 CarbonylContact O-C 3.06Å; Q115-T259 WeakPolarHBondContact O-CA 3.24Å; Q115-T259 WeakPolarHBondContact O-CB 3.26Å; V116-T259 HydrophobicContact CG2-CG2 4.08Å; T259-Y261 PolarHBondContact O-N 3.12Å; T259-Y261 VanDerWaalsContact O-N 3.16Å; T259-Y261 PolarHBondContact OG1-N 3.45Å; T259-Q262 PolarHBondContact O-N 3.06Å; T259-Q262 PolarHBondContact OG1-N 2.93Å; T259-T263 HydrophobicContact CG2-CG2 4.26Å; T259-T263 PolarHBondContact N-O 3.48Å; T259-T263 VanDerWaalsContact OG1-CB 3.32Å; T259-T263 WeakPolarHBondContact OG1-CB 3.49Å; T259-T263 PolarHBondContact OG1-N 3.18Å |
| 260 | I | 97.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 13.5 Ų | 13.5 | 12% | 0.123 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -36.3 | 168.1 | -70.4 | 167.1 | 0 | 0 | 0 | 111.6 | I7 T11 Y113 Q115 L117 Q262 | I7-I260 HydrophobicContact CG2-CD1 3.77Å; T11-I260 HydrophobicContact CG2-CG1 4.41Å; T11-I260 HydrophobicContact CG2-CG2 4.18Å; Y113-I260 WeakPolarHBondContact O-CD1 3.34Å; Q115-I260 HydrophobicContact CB-CD1 3.74Å; Q115-I260 HydrophobicContact CB-CG1 4.17Å; Q115-I260 HydrophobicContact CG-CD1 3.89Å; Q115-I260 PolarHBondContact O-N 3.33Å; Q115-I260 VanDerWaalsContact O-N 3.11Å; L117-I260 HydrophobicContact CD1-CG1 3.71Å; L117-I260 HydrophobicContact CG-CG1 4.27Å; I260-Q262 VanDerWaalsContact C-N 3.3Å |
| 261 | Y | 98 | Very high | 98.3 | Very high | 93 Ų | 93 | 10.8 Ų | 10.8 | 37% | 0.365 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 18.8 | -179 | -57.8 | -80.2 | 0 | 0 | 0 | 113.1 | D80 Y113 T259 T263 P413 | D80-Y261 HydrophobicContact CB-CD2 4.29Å; D80-Y261 WeakPolarHBondContact OD2-CD2 3.4Å; Y113-Y261 WeakPolarHBondContact O-CE2 3.4Å; T259-Y261 PolarHBondContact O-N 3.12Å; T259-Y261 VanDerWaalsContact O-N 3.16Å; T259-Y261 PolarHBondContact OG1-N 3.45Å; Y261-T263 PolarHBondContact O-N 2.97Å; Y261-P413 HydrophobicContact CD1-CG 4.04Å; Y261-P413 HydrophobicContact CD2-CG 4.24Å; Y261-P413 HydrophobicContact CE1-CG 4.05Å; Y261-P413 HydrophobicContact CE2-CG 4.25Å; Y261-P413 HydrophobicContact CG-CG 4.13Å |
| 262 | Q | 98 | Very high | 98 | Very high | 73 Ų | 73 | 12.7 Ų | 12.7 | 34% | 0.341 | 6% | 0.059 | S | C | . | . | trans | 59.8 | 27.7 | 175.5 | -47.3 | 169.5 | 5.2 | 0 | 0 | 113.9 | A14 K22 T259 I260 | A14-Q262 HydrophobicContact CB-CG 4.19Å; K22-Q262 PolarHBondContact NZ-O 3.38Å; T259-Q262 PolarHBondContact O-N 3.06Å; T259-Q262 PolarHBondContact OG1-N 2.93Å; I260-Q262 VanDerWaalsContact C-N 3.3Å | ||
| 263 | T | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.025 | 6% | 0.061 | C | C | . | . | trans | -69.5 | 129.3 | 166.2 | -67.3 | 0 | 0 | 0 | 0 | 108.2 | D80 N83 I91 Q258 T259 Y261 A265 | D80-T263 WeakPolarHBondContact OD1-CB 3.34Å; D80-T263 PolarHBondContact OD1-OG1 2.98Å; N83-T263 WeakPolarHBondContact ND2-CG2 3.5Å; N83-T263 PolarHBondContact ND2-OG1 2.72Å; N83-T263 VanDerWaalsContact ND2-OG1 3.14Å; I91-T263 HydrophobicContact CD1-CG2 3.67Å; I91-T263 HydrophobicContact CG1-CG2 3.98Å; Q258-T263 CarbonylContact C-O 3.57Å; Q258-T263 VanDerWaalsContact CA-O 3.32Å; Q258-T263 WeakPolarHBondContact CA-O 3.47Å; T259-T263 HydrophobicContact CG2-CG2 4.26Å; T259-T263 PolarHBondContact N-O 3.48Å; T259-T263 VanDerWaalsContact OG1-CB 3.32Å; T259-T263 WeakPolarHBondContact OG1-CB 3.49Å; T259-T263 PolarHBondContact OG1-N 3.18Å; Y261-T263 PolarHBondContact O-N 2.97Å; T263-A265 PolarHBondContact O-N 3.37Å | ||
| 264 | P | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 131.6 | 175.1 | -22.3 | 33.7 | 0 | 0 | 0 | 111.4 | V19 K22 I23 V90 I91 L256 | V19-P264 HydrophobicContact CG1-CB 3.98Å; V19-P264 HydrophobicContact CG1-CG 3.9Å; K22-P264 HydrophobicContact CB-CG 4.34Å; I23-P264 HydrophobicContact CD1-CB 4.15Å; I23-P264 HydrophobicContact CG2-CB 4.07Å; I23-P264 HydrophobicContact CG2-CG 3.77Å; V90-P264 WeakPolarHBondContact CA-O 3.29Å; V90-P264 HydrophobicContact CG1-CB 4.37Å; V90-P264 HydrophobicContact CG2-CB 4.46Å; I91-P264 PolarHBondContact N-O 3.45Å; L256-P264 HydrophobicContact CD1-CB 4.17Å |
| 265 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I91 V116 V257 T263 | I91-A265 HydrophobicContact CB-CB 4.07Å; I91-A265 CarbonylContact O-C 3.38Å; I91-A265 WeakPolarHBondContact O-CA 3.38Å; V116-A265 HydrophobicContact CG1-CB 4.17Å; V116-A265 HydrophobicContact CG2-CB 3.95Å; V257-A265 HydrophobicContact CG2-CB 4.17Å; V257-A265 VanDerWaalsContact CG2-O 3.23Å; V257-A265 WeakPolarHBondContact CG2-O 3.18Å; V257-A265 PolarHBondContact N-O 3.12Å; V257-A265 PolarHBondContact O-N 3.05Å; T263-A265 PolarHBondContact O-N 3.37Å |
| 266 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.4 | 167.5 | -70.4 | -63 | 0 | 0 | 0 | 110.3 | I23 I40 V90 I91 A92 L93 P254 N255 L256 A284 A287 A288 | I23-F266 HydrophobicContact CD1-CZ 4.28Å; I40-F266 HydrophobicContact CD1-CE1 3.96Å; I40-F266 HydrophobicContact CD1-CZ 4.48Å; I40-F266 HydrophobicContact CG1-CE1 3.52Å; I40-F266 HydrophobicContact CG1-CZ 4.08Å; V90-F266 HydrophobicContact CG1-CD2 3.84Å; V90-F266 HydrophobicContact CG1-CE2 3.93Å; I91-F266 PolarHBondContact O-N 3.2Å; A92-F266 CarbonylContact C-O 3.47Å; A92-F266 WeakPolarHBondContact CA-O 3.4Å; L93-F266 PolarHBondContact N-O 3.41Å; P254-F266 HydrophobicContact CB-CD1 3.82Å; P254-F266 HydrophobicContact CB-CE1 4.21Å; P254-F266 HydrophobicContact CB-CG 4.42Å; N255-F266 CarbonylContact O-C 3.58Å; N255-F266 VanDerWaalsContact O-CA 3.26Å; N255-F266 WeakPolarHBondContact O-CA 3.32Å; L256-F266 HydrophobicContact CB-CD1 4.28Å; L256-F266 HydrophobicContact CB-CE1 3.95Å; L256-F266 HydrophobicContact CD1-CD1 4.25Å; L256-F266 HydrophobicContact CD1-CE1 3.9Å; L256-F266 HydrophobicContact CD1-CZ 4.22Å; L256-F266 HydrophobicContact CG-CE1 4.47Å; F266-A284 HydrophobicContact CB-CB 3.87Å; F266-A284 HydrophobicContact CG-CB 4.45Å; F266-A287 HydrophobicContact CD2-CB 4.38Å; F266-A287 HydrophobicContact CE2-CB 3.76Å; F266-A287 HydrophobicContact CZ-CB 3.92Å; F266-A288 HydrophobicContact CD2-CB 4.01Å; F266-A288 HydrophobicContact CE2-CB 4.32Å |
| 267 | V | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.2 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | L93 E95 V116 I122 F126 N255 V257 | L93-V267 HydrophobicContact CB-CG2 4.34Å; L93-V267 WeakPolarHBondContact O-CA 3.07Å; E95-V267 HydrophobicContact CB-CG1 3.99Å; V116-V267 HydrophobicContact CG1-CG2 3.99Å; I122-V267 HydrophobicContact CG2-CG1 4.19Å; F126-V267 HydrophobicContact CE1-CB 3.98Å; F126-V267 HydrophobicContact CE1-CG1 3.95Å; F126-V267 HydrophobicContact CZ-CB 4.04Å; F126-V267 HydrophobicContact CZ-CG1 4.37Å; N255-V267 WeakPolarHBondContact CB-O 3.47Å; N255-V267 PolarHBondContact ND2-O 3.25Å; N255-V267 PolarHBondContact O-N 3.19Å; V257-V267 HydrophobicContact CG2-CB 4.32Å; V257-V267 HydrophobicContact CG2-CG2 3.54Å |
| 268 | H | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -156.1 | 123.7 | -171.9 | -167.5 | -126.4 | 0 | 0 | 0 | 113.4 | L93 D129 A251 I252 K253 P254 N280 S281 A284 | L93-H268 PolarHBondContact O-N 3.07Å; D129-H268 IonicContact OD2-CD2 3.85Å; D129-H268 PolarHBondContact OD2-CD2 3.03Å; D129-H268 IonicContact OD2-NE2 2.92Å; A251-H268 PolarHBondContact O-NE2 3.26Å; I252-H268 PolarHBondContact O-CE1 3.38Å; K253-H268 PolarHBondContact O-NE2 2.94Å; P254-H268 HydrophobicContact CB-CB 4.45Å; H268-N280 WeakPolarHBondContact O-CA 3.34Å; H268-N280 WeakPolarHBondContact O-CB 3.36Å; H268-S281 VanDerWaalsContact ND1-CB 3.25Å; H268-S281 WeakPolarHBondContact ND1-CB 3.3Å; H268-S281 PolarHBondContact ND1-OG 2.92Å; H268-S281 PolarHBondContact O-N 2.66Å; H268-A284 HydrophobicContact CB-CB 3.76Å | ||
| 269 | G | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | trans | 70.1 | 157.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R94 E95 C207 | R94-G269 CarbonylContact C-O 3.54Å; R94-G269 WeakPolarHBondContact CA-O 3.49Å; R94-G269 WeakPolarHBondContact CB-O 3.18Å; E95-G269 PolarHBondContact N-O 3.39Å; C207-G269 VanDerWaalsContact SG-CA 3.55Å | ||
| 270 | G | 96.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 7% | 0.072 | 7% | 0.072 | C | C | . | . | trans | -164 | 60.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V198 M203 | V198-G270 VanDerWaalsContact CB-O 3.28Å; V198-G270 WeakPolarHBondContact CB-O 3.37Å; V198-G270 VanDerWaalsContact CG1-O 3.27Å; V198-G270 WeakPolarHBondContact CG1-O 3.45Å; M203-G270 PolarHBondContact SD-N 3.07Å | ||
| 271 | P | 96.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.019 | 7% | 0.066 | C | C | . | . | trans | -70.7 | 153.6 | -179.2 | 30.9 | -29.3 | 0 | 0 | 0 | 110.4 | M203 C207 A276 C279 | M203-P271 HydrophobicContact CG-CB 3.91Å; C207-P271 HydrophobicContact CB-CG 4.26Å; C207-P271 VanDerWaalsContact SG-CD 3.57Å; P271-A276 HydrophobicContact CB-CB 3.9Å; P271-C279 WeakPolarHBondContact CD-O 3.27Å; P271-C279 VanDerWaalsContact CG-O 3.26Å; P271-C279 WeakPolarHBondContact CG-O 3.15Å | ||
| 272 | F | 91.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 9.1 Ų | 9.1 | 20% | 0.197 | 5% | 0.048 | C | C | . | . | trans | -55.2 | 145.4 | 166.6 | -94.7 | 22 | 0 | 0 | 0 | 111.9 | I196 V198 A199 N274 I275 A276 G278 | I196-F272 HydrophobicContact CG2-CE1 4.01Å; I196-F272 HydrophobicContact CG2-CE2 4.34Å; I196-F272 HydrophobicContact CG2-CZ 3.67Å; V198-F272 HydrophobicContact CB-CD1 4.22Å; V198-F272 HydrophobicContact CB-CE1 4.42Å; V198-F272 HydrophobicContact CG2-CD1 3.58Å; V198-F272 HydrophobicContact CG2-CE1 3.32Å; V198-F272 HydrophobicContact CG2-CZ 4.27Å; V198-F272 PolarHBondContact O-N 2.96Å; A199-F272 HydrophobicContact CB-CD2 4.3Å; A199-F272 HydrophobicContact CB-CE2 4.41Å; F272-N274 WeakPolarHBondContact CB-OD1 3.33Å; F272-N274 WeakPolarHBondContact CD2-OD1 3.46Å; F272-I275 HydrophobicContact CB-CG1 3.87Å; F272-I275 HydrophobicContact CD2-CD1 4.22Å; F272-I275 HydrophobicContact CD2-CG1 4.03Å; F272-I275 HydrophobicContact CG-CG1 4.43Å; F272-A276 CarbonylContact O-C 3.48Å; F272-A276 WeakPolarHBondContact O-CA 3.45Å; F272-A276 VanDerWaalsContact O-CB 3.26Å; F272-A276 WeakPolarHBondContact O-CB 3.06Å; F272-A276 PolarHBondContact O-N 3.45Å; F272-A276 VanDerWaalsContact O-O 3.06Å; F272-G278 PolarHBondContact O-N 3.07Å; F272-G278 VanDerWaalsContact O-N 3.17Å | ||
| 273 | A | 91 | Very high | 96.8 | Very high | 5 Ų | 5 | 6.4 Ų | 6.4 | 4% | 0.041 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -94 | 1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | A276 F301 K309 | A273-A276 CarbonylContact C-O 3.53Å; A273-F301 VanDerWaalsContact C-CE2 3.42Å; A273-F301 HydrophobicContact CB-CD2 3.29Å; A273-F301 HydrophobicContact CB-CE2 3.51Å; A273-F301 HydrophobicContact CB-CG 3.89Å; A273-F301 HydrophobicContact CB-CZ 4.24Å; A273-K309 PolarHBondContact O-NZ 2.69Å |
| 274 | N | 89.5 | Confident | 96.8 | Very high | 20 Ų | 20 | 6.2 Ų | 6.2 | 11% | 0.107 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -98.6 | -65.5 | 173.2 | 49.2 | 12.5 | 0 | 0 | 0 | 110.8 | F272 A276 F301 K309 C486 A488 V530 | F272-N274 WeakPolarHBondContact CB-OD1 3.33Å; F272-N274 WeakPolarHBondContact CD2-OD1 3.46Å; N274-A276 VanDerWaalsContact C-N 3.27Å; N274-A276 PolarHBondContact O-N 3.19Å; N274-F301 HydrophobicContact CB-CE2 3.98Å; N274-K309 PolarHBondContact O-NZ 3.08Å; N274-C486 PolarHBondContact O-SG 3.42Å; N274-A488 WeakPolarHBondContact O-CB 3.33Å; N274-V530 HydrophobicContact CB-CG1 4.46Å; N274-V530 WeakPolarHBondContact ND2-CG1 3.17Å |
| 275 | I | 94.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 6 Ų | 6 | 9% | 0.087 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -87 | 5 | -178.3 | 59.2 | 162.8 | 0 | 0 | 0 | 113.7 | A199 F272 A488 V524 L526 V530 T532 | A199-I275 HydrophobicContact CB-CD1 3.7Å; F272-I275 HydrophobicContact CB-CG1 3.87Å; F272-I275 HydrophobicContact CD2-CD1 4.22Å; F272-I275 HydrophobicContact CD2-CG1 4.03Å; F272-I275 HydrophobicContact CG-CG1 4.43Å; I275-A488 HydrophobicContact CG2-CB 4.18Å; I275-V524 HydrophobicContact CB-CG1 4.35Å; I275-V524 HydrophobicContact CG2-CG1 4.26Å; I275-V524 WeakPolarHBondContact O-CG2 3.33Å; I275-L526 HydrophobicContact CG2-CD2 4.2Å; I275-V530 HydrophobicContact CG2-CB 4.26Å; I275-V530 HydrophobicContact CG2-CG1 3.75Å; I275-T532 HydrophobicContact CD1-CG2 3.88Å |
| 276 | A | 97.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 9 Ų | 9 | 6% | 0.058 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -149.9 | -174.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A204 P271 F272 A273 N274 G278 K309 C486 F522 | A204-A276 HydrophobicContact CB-CB 4.17Å; P271-A276 HydrophobicContact CB-CB 3.9Å; F272-A276 CarbonylContact O-C 3.48Å; F272-A276 WeakPolarHBondContact O-CA 3.45Å; F272-A276 VanDerWaalsContact O-CB 3.26Å; F272-A276 WeakPolarHBondContact O-CB 3.06Å; F272-A276 PolarHBondContact O-N 3.45Å; F272-A276 VanDerWaalsContact O-O 3.06Å; A273-A276 CarbonylContact C-O 3.53Å; N274-A276 VanDerWaalsContact C-N 3.27Å; N274-A276 PolarHBondContact O-N 3.19Å; A276-G278 PolarHBondContact O-N 2.93Å; A276-K309 WeakPolarHBondContact O-CD 3.17Å; A276-K309 PolarHBondContact O-NZ 3.22Å; A276-C486 PolarHBondContact O-SG 3.25Å; A276-C486 VanDerWaalsContact O-SG 3.41Å; A276-F522 HydrophobicContact CB-CZ 4.02Å |
| 277 | H | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -81.8 | -6.9 | -169.5 | 65.3 | -78 | 0 | 0 | 0 | 114.7 | C279 K309 I313 | H277-C279 VanDerWaalsContact C-N 3.31Å; H277-C279 PolarHBondContact O-N 2.87Å; H277-C279 PolarHBondContact O-SG 3.49Å; H277-K309 HydrophobicContact CB-CB 4.05Å; H277-I313 HydrophobicContact CB-CB 4.13Å; H277-I313 HydrophobicContact CB-CD1 4.19Å; H277-I313 HydrophobicContact CB-CG2 4.06Å | ||
| 278 | G | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | 64.9 | 23.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | R94 F272 A276 G300 | R94-G278 VanDerWaalsContact CD-O 3.32Å; R94-G278 WeakPolarHBondContact CD-O 3.43Å; R94-G278 PolarHBondContact NE-O 2.88Å; F272-G278 PolarHBondContact O-N 3.07Å; F272-G278 VanDerWaalsContact O-N 3.17Å; A276-G278 PolarHBondContact O-N 2.93Å; G278-G300 PolarHBondContact O-N 3.26Å | ||
| 279 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | B | Isolated β-bridge | trans | -115.5 | 159.7 | -179 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | P271 H277 F310 K314 | P271-C279 WeakPolarHBondContact CD-O 3.27Å; P271-C279 VanDerWaalsContact CG-O 3.26Å; P271-C279 WeakPolarHBondContact CG-O 3.15Å; H277-C279 VanDerWaalsContact C-N 3.31Å; H277-C279 PolarHBondContact O-N 2.87Å; H277-C279 PolarHBondContact O-SG 3.49Å; C279-F310 HydrophobicContact CB-CD2 4.35Å; C279-F310 VanDerWaalsContact SG-CD2 3.56Å; C279-K314 HydrophobicContact CB-CD 3.55Å |
| 280 | N | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | trans | -65.9 | 168.3 | 166.3 | 77.2 | -62.4 | 0 | 0 | 0 | 110.4 | L93 R94 H268 T285 T297 K314 | L93-N280 WeakPolarHBondContact O-CB 3.27Å; R94-N280 HydrophobicContact CG-CB 3.95Å; R94-N280 VanDerWaalsContact CG-N 3.32Å; H268-N280 WeakPolarHBondContact O-CA 3.34Å; H268-N280 WeakPolarHBondContact O-CB 3.36Å; N280-T285 PolarHBondContact ND2-OG1 3.18Å; N280-T285 PolarHBondContact OD1-OG1 3.16Å; N280-T297 PolarHBondContact OD1-OG1 3.47Å; N280-K314 PolarHBondContact O-NZ 3.23Å; N280-K314 PolarHBondContact OD1-NZ 3.15Å | ||
| 281 | S | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -59.9 | 153.7 | -177.5 | 71.4 | 0 | 0 | 0 | 0 | 115.2 | C207 H268 A284 T285 | C207-S281 CarbonylContact O-C 3.55Å; C207-S281 VanDerWaalsContact O-CA 3.29Å; C207-S281 WeakPolarHBondContact O-CA 3.28Å; H268-S281 VanDerWaalsContact ND1-CB 3.25Å; H268-S281 WeakPolarHBondContact ND1-CB 3.3Å; H268-S281 PolarHBondContact ND1-OG 2.92Å; H268-S281 PolarHBondContact O-N 2.66Å; S281-A284 WeakPolarHBondContact OG-CB 3.48Å; S281-A284 PolarHBondContact OG-N 2.98Å; S281-T285 PolarHBondContact O-N 2.98Å; S281-T285 PolarHBondContact O-OG1 2.69Å | ||
| 282 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 169.4 | -72.1 | 174.4 | 0 | 0 | 0 | 111.3 | C207 L208 T210 A284 T285 R286 K314 L318 | C207-I282 WeakPolarHBondContact O-CG1 3.46Å; C207-I282 PolarHBondContact O-N 3.25Å; L208-I282 HydrophobicContact CB-CD1 4.48Å; L208-I282 HydrophobicContact CD2-CD1 4.16Å; L208-I282 WeakPolarHBondContact O-CD1 3.32Å; T210-I282 HydrophobicContact CG2-CG2 4.49Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.2Å; I282-T285 PolarHBondContact O-N 3.06Å; I282-R286 HydrophobicContact CG2-CG 4.14Å; I282-R286 WeakPolarHBondContact O-CB 3.44Å; I282-R286 PolarHBondContact O-N 3.21Å; I282-K314 HydrophobicContact CG1-CG 4.26Å; I282-L318 HydrophobicContact CG1-CB 4.46Å; I282-L318 HydrophobicContact CG2-CD1 4.15Å |
| 283 | L | 98.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 12.6 Ų | 12.6 | 9% | 0.089 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 179.7 | -74.3 | 171.5 | 0 | 0 | 0 | 112.6 | T210 I252 P254 R286 A287 | T210-L283 WeakPolarHBondContact O-CD2 3.22Å; I252-L283 HydrophobicContact CD1-CD1 3.79Å; I252-L283 HydrophobicContact CG1-CD1 3.61Å; I252-L283 VanDerWaalsContact O-CD1 3.3Å; I252-L283 WeakPolarHBondContact O-CD1 3.47Å; P254-L283 HydrophobicContact CG-CB 3.94Å; L283-R286 PolarHBondContact O-N 3.09Å; L283-A287 VanDerWaalsContact O-CB 3.27Å; L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.34Å |
| 284 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P254 F266 H268 S281 I282 A288 | P254-A284 HydrophobicContact CB-CB 4.04Å; P254-A284 HydrophobicContact CG-CB 4.28Å; F266-A284 HydrophobicContact CB-CB 3.87Å; F266-A284 HydrophobicContact CG-CB 4.45Å; H268-A284 HydrophobicContact CB-CB 3.76Å; S281-A284 WeakPolarHBondContact OG-CB 3.48Å; S281-A284 PolarHBondContact OG-N 2.98Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.2Å; A284-A288 WeakPolarHBondContact O-CB 3.44Å; A284-A288 PolarHBondContact O-N 2.81Å |
| 285 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | L56 N280 S281 I282 A288 L289 K314 L318 | L56-T285 HydrophobicContact CD1-CG2 4.01Å; N280-T285 PolarHBondContact ND2-OG1 3.18Å; N280-T285 PolarHBondContact OD1-OG1 3.16Å; S281-T285 PolarHBondContact O-N 2.98Å; S281-T285 PolarHBondContact O-OG1 2.69Å; I282-T285 PolarHBondContact O-N 3.06Å; T285-A288 PolarHBondContact O-N 3.43Å; T285-L289 HydrophobicContact CG2-CD1 4.14Å; T285-L289 WeakPolarHBondContact O-CB 3.49Å; T285-L289 VanDerWaalsContact O-CG 3.24Å; T285-L289 WeakPolarHBondContact O-CG 3.33Å; T285-L289 PolarHBondContact O-N 3.4Å; T285-K314 PolarHBondContact OG1-NZ 3.37Å; T285-L318 HydrophobicContact CG2-CD1 3.96Å; T285-L318 HydrophobicContact CG2-CD2 3.84Å |
| 286 | R | 98 | Very high | 98.1 | Very high | 62 Ų | 62 | 11.8 Ų | 11.8 | 23% | 0.234 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.4 | -45.8 | 175 | -76.9 | -171.9 | 173.3 | 162.1 | -0.4 | 112.3 | T210 I282 L283 A288 L289 H290 S317 L318 | T210-R286 VanDerWaalsContact CB-NH1 3.34Å; T210-R286 VanDerWaalsContact CG2-NH1 3.34Å; I282-R286 HydrophobicContact CG2-CG 4.14Å; I282-R286 WeakPolarHBondContact O-CB 3.44Å; I282-R286 PolarHBondContact O-N 3.21Å; L283-R286 PolarHBondContact O-N 3.09Å; R286-A288 VanDerWaalsContact C-N 3.26Å; R286-A288 PolarHBondContact O-N 3.4Å; R286-L289 WeakPolarHBondContact O-CB 3.26Å; R286-L289 PolarHBondContact O-N 3.33Å; R286-H290 PolarHBondContact O-CD2 3.33Å; R286-H290 PolarHBondContact O-N 3.32Å; R286-S317 PolarHBondContact NH2-O 2.85Å; R286-L318 HydrophobicContact CG-CD1 3.67Å; R286-L318 PolarHBondContact NE-O 3.14Å; R286-L318 VanDerWaalsContact NE-O 3.11Å; R286-L318 PolarHBondContact NH2-O 3.32Å |
| 287 | A | 97.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 3% | 0.033 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -56.4 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | L45 M48 F266 L283 L289 H290 C291 | L45-A287 HydrophobicContact CD2-CB 3.88Å; M48-A287 HydrophobicContact SD-CB 3.95Å; F266-A287 HydrophobicContact CD2-CB 4.38Å; F266-A287 HydrophobicContact CE2-CB 3.76Å; F266-A287 HydrophobicContact CZ-CB 3.92Å; L283-A287 VanDerWaalsContact O-CB 3.27Å; L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.34Å; A287-L289 PolarHBondContact O-N 3.47Å; A287-H290 PolarHBondContact O-N 3.16Å; A287-C291 WeakPolarHBondContact O-CB 3.12Å; A287-C291 PolarHBondContact O-N 2.96Å; A287-C291 PolarHBondContact O-SG 2.75Å |
| 288 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V90 F266 A284 T285 R286 H290 C291 G292 V295 | V90-A288 HydrophobicContact CB-CB 4.01Å; V90-A288 HydrophobicContact CG1-CB 3.72Å; F266-A288 HydrophobicContact CD2-CB 4.01Å; F266-A288 HydrophobicContact CE2-CB 4.32Å; A284-A288 WeakPolarHBondContact O-CB 3.44Å; A284-A288 PolarHBondContact O-N 2.81Å; T285-A288 PolarHBondContact O-N 3.43Å; R286-A288 VanDerWaalsContact C-N 3.26Å; R286-A288 PolarHBondContact O-N 3.4Å; A288-H290 VanDerWaalsContact C-N 3.32Å; A288-H290 PolarHBondContact O-N 3.47Å; A288-C291 PolarHBondContact O-N 2.99Å; A288-C291 VanDerWaalsContact O-N 3.14Å; A288-G292 PolarHBondContact O-N 2.87Å; A288-V295 HydrophobicContact CB-CB 4.31Å; A288-V295 HydrophobicContact CB-CG1 3.63Å; A288-V295 HydrophobicContact CB-CG2 3.68Å; A288-V295 WeakPolarHBondContact O-CG2 3.38Å |
| 289 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -178.5 | -78.8 | 165.9 | 0 | 0 | 0 | 112.6 | E53 G54 L56 T285 R286 A287 C291 V295 L318 K320 | E53-L289 WeakPolarHBondContact CA-O 3.44Å; E53-L289 HydrophobicContact CB-CB 4.4Å; E53-L289 HydrophobicContact CG-CB 4.47Å; G54-L289 PolarHBondContact N-O 3.41Å; L56-L289 HydrophobicContact CB-CD2 4.1Å; L56-L289 HydrophobicContact CD1-CD2 4.46Å; T285-L289 HydrophobicContact CG2-CD1 4.14Å; T285-L289 WeakPolarHBondContact O-CB 3.49Å; T285-L289 VanDerWaalsContact O-CG 3.24Å; T285-L289 WeakPolarHBondContact O-CG 3.33Å; T285-L289 PolarHBondContact O-N 3.4Å; R286-L289 WeakPolarHBondContact O-CB 3.26Å; R286-L289 PolarHBondContact O-N 3.33Å; A287-L289 PolarHBondContact O-N 3.47Å; L289-C291 VanDerWaalsContact C-N 3.29Å; L289-V295 HydrophobicContact CB-CG2 4.33Å; L289-V295 HydrophobicContact CD2-CB 4.27Å; L289-V295 HydrophobicContact CD2-CG2 3.8Å; L289-V295 HydrophobicContact CG-CG2 3.95Å; L289-L318 HydrophobicContact CD1-CD1 4.29Å; L289-K320 HydrophobicContact CD1-CB 4.49Å; L289-K320 HydrophobicContact CD1-CD 3.6Å; L289-K320 HydrophobicContact CD2-CD 3.56Å; L289-K320 HydrophobicContact CG-CD 4.23Å |
| 290 | H | 97.9 | Very high | 98.1 | Very high | 25 Ų | 25 | 11.7 Ų | 11.7 | 12% | 0.116 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.4 | 179.2 | -71.2 | -61.9 | 0 | 0 | 0 | 113.8 | M48 N51 R286 A287 A288 | M48-H290 HydrophobicContact CB-CB 3.86Å; M48-H290 WeakPolarHBondContact O-CB 3.25Å; M48-H290 VanDerWaalsContact O-CG 3.29Å; M48-H290 PolarHBondContact O-ND1 3.13Å; N51-H290 HydrophobicContact CB-CB 4.32Å; N51-H290 VanDerWaalsContact CB-O 3.23Å; N51-H290 WeakPolarHBondContact CB-O 3.48Å; N51-H290 PolarHBondContact ND2-O 3.37Å; N51-H290 PolarHBondContact O-CE1 2.93Å; N51-H290 PolarHBondContact O-ND1 3.08Å; R286-H290 PolarHBondContact O-CD2 3.33Å; R286-H290 PolarHBondContact O-N 3.32Å; A287-H290 PolarHBondContact O-N 3.16Å; A288-H290 VanDerWaalsContact C-N 3.32Å; A288-H290 PolarHBondContact O-N 3.47Å |
| 291 | C | 96.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 5% | 0.054 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -31.9 | -176.2 | -77.1 | 0 | 0 | 0 | 0 | 113.9 | I23 M48 K88 V90 A287 A288 L289 | I23-C291 HydrophobicContact CB-CB 3.96Å; I23-C291 HydrophobicContact CG2-CB 4.22Å; M48-C291 VanDerWaalsContact CE-SG 3.58Å; M48-C291 VanDerWaalsContact SD-SG 3.61Å; K88-C291 WeakPolarHBondContact CE-O 3.28Å; K88-C291 PolarHBondContact NZ-O 3.45Å; V90-C291 HydrophobicContact CG2-CB 4.36Å; A287-C291 WeakPolarHBondContact O-CB 3.12Å; A287-C291 PolarHBondContact O-N 2.96Å; A287-C291 PolarHBondContact O-SG 2.75Å; A288-C291 PolarHBondContact O-N 2.99Å; A288-C291 VanDerWaalsContact O-N 3.14Å; L289-C291 VanDerWaalsContact C-N 3.29Å |
| 292 | G | 96.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 5% | 0.052 | 7% | 0.067 | C | C | . | . | trans | -113.2 | 151 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G54 K88 A288 Y294 | G54-G292 WeakPolarHBondContact CA-O 3.44Å; K88-G292 CarbonylContact O-C 3.44Å; A288-G292 PolarHBondContact O-N 2.87Å; G292-Y294 PolarHBondContact O-N 2.53Å | ||
| 293 | D | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 13.9 Ų | 13.9 | 50% | 0.497 | 7% | 0.067 | S | C | . | . | S | Bend | trans | -68.4 | -28.8 | 169 | -60 | -30.7 | 0 | 0 | 0 | 110.9 | G54 K55 K88 | G54-D293 CarbonylContact C-O 3.46Å; G54-D293 WeakPolarHBondContact CA-O 3.27Å; K55-D293 PolarHBondContact N-O 3.03Å; K88-D293 HydrophobicContact CB-CB 4.32Å; K88-D293 WeakPolarHBondContact CB-OD2 3.25Å; K88-D293 PolarHBondContact O-N 3.02Å |
| 294 | Y | 98.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 13 Ų | 13 | 10% | 0.102 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.8 | 174.6 | -66.9 | -101.7 | 0 | 0 | 0 | 110.5 | K55 I57 K87 K88 T89 V90 G292 V424 I427 | K55-Y294 HydrophobicContact CB-CD1 3.66Å; K55-Y294 HydrophobicContact CB-CE1 3.85Å; K55-Y294 HydrophobicContact CB-CG 4.22Å; K55-Y294 HydrophobicContact CG-CD1 4.33Å; K55-Y294 HydrophobicContact CG-CE1 4.07Å; K55-Y294 CarbonylContact O-C 3.46Å; K55-Y294 WeakPolarHBondContact O-CA 3.45Å; I57-Y294 HydrophobicContact CD1-CD1 3.93Å; K87-Y294 HydrophobicContact CB-CD2 3.76Å; K87-Y294 HydrophobicContact CB-CE2 3.94Å; K87-Y294 HydrophobicContact CD-CE2 3.84Å; K87-Y294 HydrophobicContact CG-CD2 4.24Å; K87-Y294 HydrophobicContact CG-CE2 3.93Å; K88-Y294 PolarHBondContact O-N 3.37Å; K88-Y294 VanDerWaalsContact O-N 3.12Å; T89-Y294 VanDerWaalsContact CA-O 3.27Å; T89-Y294 WeakPolarHBondContact CA-O 3.36Å; V90-Y294 PolarHBondContact N-O 2.93Å; G292-Y294 PolarHBondContact O-N 2.53Å; Y294-V424 HydrophobicContact CE1-CG2 4.04Å; Y294-I427 HydrophobicContact CD1-CD1 4.18Å; Y294-I427 HydrophobicContact CE1-CD1 3.87Å |
| 295 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.3 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | K55 L56 I57 V90 A288 L289 | K55-V295 PolarHBondContact O-N 2.99Å; L56-V295 HydrophobicContact CD1-CB 4.05Å; L56-V295 HydrophobicContact CD1-CG1 3.91Å; I57-V295 WeakPolarHBondContact CB-O 3.47Å; I57-V295 PolarHBondContact N-O 3.18Å; V90-V295 VanDerWaalsContact O-CA 3.26Å; V90-V295 WeakPolarHBondContact O-CA 3.46Å; A288-V295 HydrophobicContact CB-CB 4.31Å; A288-V295 HydrophobicContact CB-CG1 3.63Å; A288-V295 HydrophobicContact CB-CG2 3.68Å; A288-V295 WeakPolarHBondContact O-CG2 3.38Å; L289-V295 HydrophobicContact CB-CG2 4.33Å; L289-V295 HydrophobicContact CD2-CB 4.27Å; L289-V295 HydrophobicContact CD2-CG2 3.8Å; L289-V295 HydrophobicContact CG-CG2 3.95Å |
| 296 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.2 | 172.6 | -167.5 | 0 | 0 | 0 | 0 | 108.4 | I57 V59 T75 L78 L82 T89 V90 I91 A92 | I57-V296 HydrophobicContact CD1-CG2 4.12Å; I57-V296 HydrophobicContact CG2-CG1 4.5Å; V59-V296 HydrophobicContact CG2-CG1 3.53Å; T75-V296 HydrophobicContact CG2-CG1 3.79Å; L78-V296 HydrophobicContact CD2-CG1 4.05Å; L78-V296 HydrophobicContact CD2-CG2 4.46Å; L78-V296 HydrophobicContact CG-CG1 4.41Å; L78-V296 HydrophobicContact CG-CG2 4.29Å; L82-V296 HydrophobicContact CD1-CG2 3.63Å; T89-V296 HydrophobicContact CG2-CG2 3.81Å; V90-V296 PolarHBondContact O-N 3.33Å; V90-V296 VanDerWaalsContact O-N 3.08Å; I91-V296 CarbonylContact C-O 3.45Å; I91-V296 WeakPolarHBondContact CA-O 3.37Å; A92-V296 PolarHBondContact N-O 3.39Å |
| 297 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 167.1 | 178.8 | -169.2 | 0 | 0 | 0 | 0 | 110 | L56 I57 L58 V59 A92 N280 F310 | L56-T297 HydrophobicContact CD1-CG2 3.8Å; I57-T297 PolarHBondContact O-N 3.11Å; L58-T297 HydrophobicContact CD1-CG2 4.45Å; V59-T297 PolarHBondContact N-O 3.06Å; A92-T297 WeakPolarHBondContact O-CA 3.36Å; A92-T297 PolarHBondContact O-OG1 3.25Å; N280-T297 PolarHBondContact OD1-OG1 3.47Å; T297-F310 HydrophobicContact CG2-CE2 3.64Å; T297-F310 HydrophobicContact CG2-CZ 3.86Å |
| 298 | E | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 1% | 0.014 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 167.5 | 176.1 | 61.2 | 167.2 | -119.7 | 0 | 0 | 113.6 | V59 S72 T75 L93 R94 | V59-E298 HydrophobicContact CB-CB 4.32Å; V59-E298 VanDerWaalsContact O-CA 3.23Å; V59-E298 WeakPolarHBondContact O-CA 3.3Å; V59-E298 WeakPolarHBondContact O-CB 3.4Å; S72-E298 WeakPolarHBondContact CA-OE2 3.17Å; S72-E298 WeakPolarHBondContact CB-OE2 3.34Å; S72-E298 PolarHBondContact OG-OE1 2.96Å; S72-E298 VanDerWaalsContact OG-OE1 3.11Å; S72-E298 PolarHBondContact OG-OE2 3.5Å; T75-E298 HydrophobicContact CG2-CB 4.19Å; T75-E298 HydrophobicContact CG2-CG 4.37Å; T75-E298 PolarHBondContact OG1-OE2 3.37Å; L93-E298 HydrophobicContact CD2-CG 3.94Å; R94-E298 IonicContact CZ-OE1 3.87Å; R94-E298 IonicContact NE-OE1 2.74Å; R94-E298 IonicContact NH2-OE1 3.84Å; R94-E298 PolarHBondContact NH2-OE1 3.14Å |
| 299 | A | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 146.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L58 V59 K71 G306 F310 | L58-A299 HydrophobicContact CD1-CB 4.23Å; V59-A299 PolarHBondContact O-N 2.83Å; K71-A299 WeakPolarHBondContact CE-O 3.06Å; K71-A299 PolarHBondContact NZ-O 3.04Å; A299-G306 WeakPolarHBondContact CB-O 3.28Å; A299-F310 HydrophobicContact CB-CB 4.17Å; A299-F310 HydrophobicContact CB-CD2 4.46Å |
| 300 | G | 94.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -67.7 | 155.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G278 G306 | G278-G300 PolarHBondContact O-N 3.26Å; G300-G306 WeakPolarHBondContact O-CA 3.01Å; G300-G306 PolarHBondContact O-N 2.83Å |
| 301 | F | 94.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 8.7 Ų | 8.7 | 20% | 0.202 | 5% | 0.045 | C | C | . | . | S | Bend | trans | 58.9 | -158 | -173.4 | -54.8 | -38.3 | 0 | 0 | 0 | 114.5 | S61 P64 K71 A273 N274 L305 Q491 | S61-F301 PolarHBondContact OG-O 3.35Å; P64-F301 HydrophobicContact CG-CB 4.42Å; P64-F301 HydrophobicContact CG-CD1 4.38Å; K71-F301 PolarHBondContact NZ-O 2.99Å; A273-F301 VanDerWaalsContact C-CE2 3.42Å; A273-F301 HydrophobicContact CB-CD2 3.29Å; A273-F301 HydrophobicContact CB-CE2 3.51Å; A273-F301 HydrophobicContact CB-CG 3.89Å; A273-F301 HydrophobicContact CB-CZ 4.24Å; N274-F301 HydrophobicContact CB-CE2 3.98Å; F301-L305 HydrophobicContact CB-CB 4.2Å; F301-L305 HydrophobicContact CB-CD1 4.32Å; F301-L305 HydrophobicContact CD2-CB 4.32Å; F301-L305 HydrophobicContact CD2-CD1 3.74Å; F301-L305 HydrophobicContact CE2-CD1 4.48Å; F301-L305 HydrophobicContact CG-CD1 4.38Å; F301-Q491 HydrophobicContact CB-CB 3.92Å; F301-Q491 HydrophobicContact CD1-CB 3.53Å; F301-Q491 HydrophobicContact CD1-CG 3.67Å; F301-Q491 HydrophobicContact CD2-CB 3.89Å; F301-Q491 HydrophobicContact CE1-CB 3.93Å; F301-Q491 HydrophobicContact CE1-CG 3.74Å; F301-Q491 HydrophobicContact CE2-CB 4.24Å; F301-Q491 HydrophobicContact CG-CB 3.53Å; F301-Q491 HydrophobicContact CG-CG 4.21Å; F301-Q491 HydrophobicContact CZ-CB 4.27Å; F301-Q491 HydrophobicContact CZ-CG 4.31Å |
| 302 | G | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -83.3 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S61 I62 D304 L305 G306 | S61-G302 CarbonylContact O-C 3.56Å; S61-G302 WeakPolarHBondContact O-CA 3.38Å; I62-G302 WeakPolarHBondContact O-CA 3.48Å; G302-D304 WeakPolarHBondContact CA-OD1 3.37Å; G302-D304 PolarHBondContact O-N 2.77Å; G302-L305 PolarHBondContact O-N 3.1Å; G302-L305 VanDerWaalsContact O-N 3.12Å; G302-G306 PolarHBondContact O-N 3.17Å | ||
| 303 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | I | π-helix | trans | -65.5 | -20.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T60 S61 L305 G307 E308 H363 M367 | T60-A303 HydrophobicContact CG2-CB 3.6Å; T60-A303 WeakPolarHBondContact OG1-CA 3.41Å; T60-A303 WeakPolarHBondContact OG1-CB 3.45Å; T60-A303 PolarHBondContact OG1-N 3.47Å; S61-A303 PolarHBondContact O-N 3.37Å; A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 3.23Å; A303-G307 WeakPolarHBondContact O-CA 3.21Å; A303-E308 PolarHBondContact O-N 3.41Å; A303-H363 HydrophobicContact CB-CB 4.24Å; A303-M367 HydrophobicContact CB-CE 3.9Å; A303-M367 HydrophobicContact CB-CG 4.14Å; A303-M367 HydrophobicContact CB-SD 3.97Å; A303-M367 WeakPolarHBondContact O-CE 3.04Å |
| 304 | D | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.018 | C | C | . | . | I | π-helix | trans | -68 | -26.3 | 173.2 | 64 | -46.1 | 0 | 0 | 0 | 113.6 | N63 G302 H363 I456 Y457 K489 L494 | N63-D304 PolarHBondContact ND2-OD1 3.35Å; N63-D304 PolarHBondContact ND2-OD2 3.38Å; N63-D304 VanDerWaalsContact ND2-OD2 3.07Å; G302-D304 WeakPolarHBondContact CA-OD1 3.37Å; G302-D304 PolarHBondContact O-N 2.77Å; D304-H363 IonicContact OD1-CE1 3.05Å; D304-I456 HydrophobicContact CB-CG2 4.15Å; D304-Y457 HydrophobicContact CB-CD1 4.24Å; D304-Y457 HydrophobicContact CB-CE1 4.1Å; D304-Y457 WeakPolarHBondContact O-CE1 3.24Å; D304-K489 IonicContact OD2-NZ 2.72Å; D304-K489 PolarHBondContact OD2-NZ 2.85Å; D304-L494 HydrophobicContact CB-CD2 3.72Å |
| 305 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -116.1 | -64.5 | 178.5 | -70.9 | 173.5 | 0 | 0 | 0 | 111.3 | F301 G302 A303 K309 M487 K489 Q491 | F301-L305 HydrophobicContact CB-CB 4.2Å; F301-L305 HydrophobicContact CB-CD1 4.32Å; F301-L305 HydrophobicContact CD2-CB 4.32Å; F301-L305 HydrophobicContact CD2-CD1 3.74Å; F301-L305 HydrophobicContact CE2-CD1 4.48Å; F301-L305 HydrophobicContact CG-CD1 4.38Å; G302-L305 PolarHBondContact O-N 3.1Å; G302-L305 VanDerWaalsContact O-N 3.12Å; A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 3.23Å; L305-K309 VanDerWaalsContact O-CB 3.24Å; L305-K309 WeakPolarHBondContact O-CB 3.43Å; L305-K309 WeakPolarHBondContact O-CD 3.35Å; L305-K309 WeakPolarHBondContact O-CG 3.38Å; L305-K309 PolarHBondContact O-N 2.67Å; L305-M487 HydrophobicContact CD2-CB 4.45Å; L305-M487 WeakPolarHBondContact CD2-O 3.28Å; L305-K489 HydrophobicContact CD1-CG 4.44Å; L305-K489 HydrophobicContact CD2-CG 4.01Å; L305-Q491 HydrophobicContact CD1-CB 4.14Å |
| 306 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | I | π-helix | trans | -66.1 | -45.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A299 G300 G302 F310 | A299-G306 WeakPolarHBondContact CB-O 3.28Å; G300-G306 WeakPolarHBondContact O-CA 3.01Å; G300-G306 PolarHBondContact O-N 2.83Å; G302-G306 PolarHBondContact O-N 3.17Å; G306-F310 VanDerWaalsContact O-CB 3.32Å; G306-F310 WeakPolarHBondContact O-CB 3.26Å; G306-F310 PolarHBondContact O-N 3.32Å |
| 307 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -59.7 | -56.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A303 K309 F310 L311 | A303-G307 WeakPolarHBondContact O-CA 3.21Å; G307-K309 PolarHBondContact O-N 2.81Å; G307-F310 WeakPolarHBondContact O-CB 3.26Å; G307-F310 PolarHBondContact O-N 2.85Å; G307-L311 VanDerWaalsContact O-CG 3.29Å; G307-L311 WeakPolarHBondContact O-CG 3.49Å; G307-L311 PolarHBondContact O-N 2.91Å; G307-L311 VanDerWaalsContact O-N 3.12Å |
| 308 | E | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -50.6 | -54.7 | 174.3 | -180 | -85.5 | 119.7 | 0 | 0 | 112 | A303 F310 L311 D312 Y370 | A303-E308 PolarHBondContact O-N 3.41Å; E308-F310 VanDerWaalsContact C-N 3.32Å; E308-F310 PolarHBondContact O-N 3.37Å; E308-L311 CarbonylContact O-C 3.56Å; E308-L311 WeakPolarHBondContact O-CA 3.35Å; E308-L311 PolarHBondContact O-N 3.45Å; E308-D312 PolarHBondContact O-N 2.64Å; E308-Y370 WeakPolarHBondContact CG-OH 3.44Å |
| 309 | K | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.9 | -30.7 | -177.2 | -66.2 | 171.1 | -167.1 | -173.8 | 0 | 113.7 | A273 N274 A276 H277 L305 G307 L311 I313 K314 C486 M487 | A273-K309 PolarHBondContact O-NZ 2.69Å; N274-K309 PolarHBondContact O-NZ 3.08Å; A276-K309 WeakPolarHBondContact O-CD 3.17Å; A276-K309 PolarHBondContact O-NZ 3.22Å; H277-K309 HydrophobicContact CB-CB 4.05Å; L305-K309 VanDerWaalsContact O-CB 3.24Å; L305-K309 WeakPolarHBondContact O-CB 3.43Å; L305-K309 WeakPolarHBondContact O-CD 3.35Å; L305-K309 WeakPolarHBondContact O-CG 3.38Å; L305-K309 PolarHBondContact O-N 2.67Å; G307-K309 PolarHBondContact O-N 2.81Å; K309-L311 VanDerWaalsContact C-N 3.31Å; K309-I313 HydrophobicContact CB-CD1 4.12Å; K309-I313 HydrophobicContact CG-CD1 4Å; K309-I313 WeakPolarHBondContact O-CA 3.29Å; K309-I313 VanDerWaalsContact O-CB 3.26Å; K309-I313 WeakPolarHBondContact O-CB 3.42Å; K309-I313 PolarHBondContact O-N 3.44Å; K309-K314 PolarHBondContact O-N 3.34Å; K309-K314 VanDerWaalsContact O-N 3.16Å; K309-C486 PolarHBondContact NZ-SG 2.87Å; K309-M487 VanDerWaalsContact CE-O 3.29Å; K309-M487 WeakPolarHBondContact CE-O 3.46Å; K309-M487 PolarHBondContact NZ-O 3.01Å |
| 310 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -59.4 | -49.8 | 170.7 | -174 | -75 | 0 | 0 | 0 | 109.3 | L56 L58 C279 T297 A299 G306 G307 E308 K314 V315 L318 P322 | L56-F310 HydrophobicContact CD2-CE1 4.37Å; L56-F310 HydrophobicContact CD2-CZ 4.14Å; L58-F310 HydrophobicContact CD1-CB 4.3Å; L58-F310 HydrophobicContact CD1-CD1 4.27Å; L58-F310 HydrophobicContact CD1-CD2 3.62Å; L58-F310 HydrophobicContact CD1-CE2 3.96Å; L58-F310 HydrophobicContact CD1-CG 3.8Å; L58-F310 HydrophobicContact CD1-CZ 4.44Å; L58-F310 HydrophobicContact CD2-CB 4.05Å; L58-F310 HydrophobicContact CD2-CD1 3.84Å; L58-F310 HydrophobicContact CD2-CE1 4.48Å; L58-F310 HydrophobicContact CD2-CG 3.9Å; L58-F310 HydrophobicContact CG-CG 4.46Å; C279-F310 HydrophobicContact CB-CD2 4.35Å; C279-F310 VanDerWaalsContact SG-CD2 3.56Å; T297-F310 HydrophobicContact CG2-CE2 3.64Å; T297-F310 HydrophobicContact CG2-CZ 3.86Å; A299-F310 HydrophobicContact CB-CB 4.17Å; A299-F310 HydrophobicContact CB-CD2 4.46Å; G306-F310 VanDerWaalsContact O-CB 3.32Å; G306-F310 WeakPolarHBondContact O-CB 3.26Å; G306-F310 PolarHBondContact O-N 3.32Å; G307-F310 WeakPolarHBondContact O-CB 3.26Å; G307-F310 PolarHBondContact O-N 2.85Å; E308-F310 VanDerWaalsContact C-N 3.32Å; E308-F310 PolarHBondContact O-N 3.37Å; F310-K314 HydrophobicContact CD2-CD 3.9Å; F310-K314 HydrophobicContact CE2-CD 3.75Å; F310-K314 HydrophobicContact CZ-CD 4.32Å; F310-K314 WeakPolarHBondContact O-CA 3.44Å; F310-K314 WeakPolarHBondContact O-CB 3.36Å; F310-K314 PolarHBondContact O-N 3.2Å; F310-V315 HydrophobicContact CD1-CG2 4.05Å; F310-V315 HydrophobicContact CE1-CG2 3.98Å; F310-V315 WeakPolarHBondContact O-CG2 3.41Å; F310-V315 PolarHBondContact O-N 3.46Å; F310-L318 HydrophobicContact CZ-CD2 4.34Å; F310-P322 HydrophobicContact CD1-CG 4.16Å; F310-P322 HydrophobicContact CE1-CG 3.69Å |
| 311 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -71.2 | -38.1 | -174.8 | -62.2 | 174.9 | 0 | 0 | 0 | 112.7 | L58 G307 E308 K309 V315 P322 M367 Y370 L372 F434 R440 | L58-L311 HydrophobicContact CD2-CD2 4.35Å; L58-L311 HydrophobicContact CD2-CG 4.48Å; G307-L311 VanDerWaalsContact O-CG 3.29Å; G307-L311 WeakPolarHBondContact O-CG 3.49Å; G307-L311 PolarHBondContact O-N 2.91Å; G307-L311 VanDerWaalsContact O-N 3.12Å; E308-L311 CarbonylContact O-C 3.56Å; E308-L311 WeakPolarHBondContact O-CA 3.35Å; E308-L311 PolarHBondContact O-N 3.45Å; K309-L311 VanDerWaalsContact C-N 3.31Å; L311-V315 HydrophobicContact CD2-CG2 4.37Å; L311-V315 WeakPolarHBondContact O-CB 3.5Å; L311-P322 HydrophobicContact CD2-CG 3.85Å; L311-M367 HydrophobicContact CD1-CE 4.46Å; L311-M367 HydrophobicContact CD1-SD 4.13Å; L311-Y370 HydrophobicContact CB-CD1 3.92Å; L311-Y370 HydrophobicContact CB-CE1 3.78Å; L311-Y370 HydrophobicContact CD1-CD1 3.76Å; L311-Y370 HydrophobicContact CD1-CD2 3.5Å; L311-Y370 VanDerWaalsContact CD1-CD2 3.5Å; L311-Y370 HydrophobicContact CD1-CE1 4.05Å; L311-Y370 HydrophobicContact CD1-CE2 3.8Å; L311-Y370 HydrophobicContact CD1-CG 3.49Å; L311-Y370 VanDerWaalsContact CD1-CG 3.49Å; L311-Y370 HydrophobicContact CG-CD1 4.43Å; L311-L372 HydrophobicContact CD1-CD1 3.86Å; L311-L372 HydrophobicContact CD2-CD1 3.56Å; L311-L372 HydrophobicContact CG-CD1 4.39Å; L311-F434 HydrophobicContact CB-CE2 4.07Å; L311-F434 HydrophobicContact CB-CZ 4.39Å; L311-F434 HydrophobicContact CD2-CD2 4.45Å; L311-F434 HydrophobicContact CD2-CE2 3.84Å; L311-F434 HydrophobicContact CG-CE2 4.4Å; L311-R440 PolarHBondContact O-NH2 3.19Å |
| 312 | D | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -101.4 | -18.9 | -172.8 | -75.9 | -26.2 | 0 | 0 | 0 | 115.7 | E308 P316 Y370 S436 F438 R440 | E308-D312 PolarHBondContact O-N 2.64Å; D312-P316 WeakPolarHBondContact O-CG 3.16Å; D312-Y370 WeakPolarHBondContact OD2-CE1 3.24Å; D312-Y370 PolarHBondContact OD2-OH 3.29Å; D312-S436 PolarHBondContact OD1-OG 3.13Å; D312-S436 VanDerWaalsContact OD1-OG 3.14Å; D312-F438 HydrophobicContact CB-CE1 4.4Å; D312-F438 HydrophobicContact CB-CZ 3.83Å; D312-F438 WeakPolarHBondContact OD2-CE1 3.49Å; D312-R440 IonicContact OD1-CZ 2.77Å; D312-R440 IonicContact OD1-NE 3.65Å; D312-R440 IonicContact OD1-NH2 2.73Å; D312-R440 PolarHBondContact OD1-NH2 2.58Å |
| 313 | I | 97.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 11.7 Ų | 11.7 | 4% | 0.036 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -112 | -46.9 | 177 | -53 | 177.9 | 0 | 0 | 0 | 111.6 | L208 H277 K309 P316 P484 C486 F522 | L208-I313 HydrophobicContact CD1-CG2 4.15Å; L208-I313 HydrophobicContact CD2-CG2 4.45Å; H277-I313 HydrophobicContact CB-CB 4.13Å; H277-I313 HydrophobicContact CB-CD1 4.19Å; H277-I313 HydrophobicContact CB-CG2 4.06Å; K309-I313 HydrophobicContact CB-CD1 4.12Å; K309-I313 HydrophobicContact CG-CD1 4Å; K309-I313 WeakPolarHBondContact O-CA 3.29Å; K309-I313 VanDerWaalsContact O-CB 3.26Å; K309-I313 WeakPolarHBondContact O-CB 3.42Å; K309-I313 PolarHBondContact O-N 3.44Å; I313-P316 WeakPolarHBondContact O-CD 3.09Å; I313-P484 HydrophobicContact CG1-CB 4.26Å; I313-C486 HydrophobicContact CD1-CB 3.82Å; I313-F522 HydrophobicContact CG2-CD1 3.84Å; I313-F522 HydrophobicContact CG2-CE1 4.41Å |
| 314 | K | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -78.2 | -46.1 | -175.5 | 178.5 | 169.5 | 171.8 | 171.3 | 0 | 112.8 | C279 N280 I282 T285 K309 F310 S317 L318 | C279-K314 HydrophobicContact CB-CD 3.55Å; N280-K314 PolarHBondContact O-NZ 3.23Å; N280-K314 PolarHBondContact OD1-NZ 3.15Å; I282-K314 HydrophobicContact CG1-CG 4.26Å; T285-K314 PolarHBondContact OG1-NZ 3.37Å; K309-K314 PolarHBondContact O-N 3.34Å; K309-K314 VanDerWaalsContact O-N 3.16Å; F310-K314 HydrophobicContact CD2-CD 3.9Å; F310-K314 HydrophobicContact CE2-CD 3.75Å; F310-K314 HydrophobicContact CZ-CD 4.32Å; F310-K314 WeakPolarHBondContact O-CA 3.44Å; F310-K314 WeakPolarHBondContact O-CB 3.36Å; F310-K314 PolarHBondContact O-N 3.2Å; K314-S317 PolarHBondContact O-N 3.38Å; K314-S317 VanDerWaalsContact O-N 3.12Å; K314-L318 HydrophobicContact CG-CB 4.4Å; K314-L318 WeakPolarHBondContact O-CB 3.23Å; K314-L318 PolarHBondContact O-N 3.19Å |
| 315 | V | 97.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 5% | 0.048 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -53.3 | -44.7 | -178.7 | 170.9 | 0 | 0 | 0 | 0 | 113.5 | F310 L311 S317 L318 G319 A321 F434 | F310-V315 HydrophobicContact CD1-CG2 4.05Å; F310-V315 HydrophobicContact CE1-CG2 3.98Å; F310-V315 WeakPolarHBondContact O-CG2 3.41Å; F310-V315 PolarHBondContact O-N 3.46Å; L311-V315 HydrophobicContact CD2-CG2 4.37Å; L311-V315 WeakPolarHBondContact O-CB 3.5Å; V315-S317 VanDerWaalsContact C-N 3.27Å; V315-S317 PolarHBondContact O-N 3.23Å; V315-L318 PolarHBondContact O-N 3.24Å; V315-G319 PolarHBondContact O-N 3.12Å; V315-A321 HydrophobicContact CG1-CB 4.18Å; V315-F434 HydrophobicContact CB-CZ 4.45Å; V315-F434 HydrophobicContact CG1-CD1 4.49Å; V315-F434 HydrophobicContact CG1-CE1 3.73Å; V315-F434 HydrophobicContact CG1-CZ 4.09Å; V315-F434 HydrophobicContact CG2-CZ 4.5Å |
| 316 | P | 95.6 | Very high | 97.8 | Very high | 63 Ų | 63 | 11.7 Ų | 11.7 | 41% | 0.409 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -51.8 | -43.1 | 176.3 | -24.6 | 26.5 | 0 | 0 | 0 | 114.3 | D312 I313 | D312-P316 WeakPolarHBondContact O-CG 3.16Å; I313-P316 WeakPolarHBondContact O-CD 3.09Å |
| 317 | S | 96 | Very high | 97.9 | Very high | 28 Ų | 28 | 11.7 Ų | 11.7 | 20% | 0.196 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -84.6 | -30.1 | -179.6 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | R218 R286 K314 V315 | R218-S317 PolarHBondContact NH2-OG 2.85Å; R286-S317 PolarHBondContact NH2-O 2.85Å; K314-S317 PolarHBondContact O-N 3.38Å; K314-S317 VanDerWaalsContact O-N 3.12Å; V315-S317 VanDerWaalsContact C-N 3.27Å; V315-S317 PolarHBondContact O-N 3.23Å |
| 318 | L | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.7 | 178.3 | 58.4 | 0 | 0 | 0 | 111.4 | L56 I282 T285 R286 L289 F310 K314 V315 K320 | L56-L318 HydrophobicContact CD2-CD2 3.91Å; I282-L318 HydrophobicContact CG1-CB 4.46Å; I282-L318 HydrophobicContact CG2-CD1 4.15Å; T285-L318 HydrophobicContact CG2-CD1 3.96Å; T285-L318 HydrophobicContact CG2-CD2 3.84Å; R286-L318 HydrophobicContact CG-CD1 3.67Å; R286-L318 PolarHBondContact NE-O 3.14Å; R286-L318 VanDerWaalsContact NE-O 3.11Å; R286-L318 PolarHBondContact NH2-O 3.32Å; L289-L318 HydrophobicContact CD1-CD1 4.29Å; F310-L318 HydrophobicContact CZ-CD2 4.34Å; K314-L318 HydrophobicContact CG-CB 4.4Å; K314-L318 WeakPolarHBondContact O-CB 3.23Å; K314-L318 PolarHBondContact O-N 3.19Å; V315-L318 PolarHBondContact O-N 3.24Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 WeakPolarHBondContact CD2-O 3.41Å; L318-K320 HydrophobicContact CG-CB 4.32Å |
| 319 | G | 96 | Very high | 97.9 | Very high | 63 Ų | 63 | 11.7 Ų | 11.7 | 65% | 0.649 | 8% | 0.084 | S | C | * | . | S | Bend | trans | 84 | 2.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V315 | V315-G319 PolarHBondContact O-N 3.12Š|
| 320 | K | 96.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 12 Ų | 12 | 14% | 0.143 | 9% | 0.086 | C | C | . | . | trans | -140.3 | 131.6 | -178 | -164.9 | -162.5 | -173.4 | 80.3 | 0 | 111 | E53 G54 L56 L289 L318 | E53-K320 VanDerWaalsContact OE2-CD 3.26Å; E53-K320 WeakPolarHBondContact OE2-CD 3.39Å; E53-K320 WeakPolarHBondContact OE2-CG 3.47Å; E53-K320 IonicContact OE2-NZ 2.71Å; E53-K320 PolarHBondContact OE2-NZ 3.24Å; G54-K320 WeakPolarHBondContact O-CE 3.46Å; G54-K320 PolarHBondContact O-NZ 3.16Å; L56-K320 HydrophobicContact CB-CD 4.1Å; L56-K320 HydrophobicContact CD2-CD 4.28Å; L289-K320 HydrophobicContact CD1-CB 4.49Å; L289-K320 HydrophobicContact CD1-CD 3.6Å; L289-K320 HydrophobicContact CD2-CD 3.56Å; L289-K320 HydrophobicContact CG-CD 4.23Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 WeakPolarHBondContact CD2-O 3.41Å; L318-K320 HydrophobicContact CG-CB 4.32Å | ||
| 321 | A | 97.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 12 Ų | 12 | 16% | 0.157 | 9% | 0.086 | C | C | . | . | trans | -88.4 | 158.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V315 F434 | V315-A321 HydrophobicContact CG1-CB 4.18Å; A321-F434 HydrophobicContact CB-CB 3.65Å; A321-F434 HydrophobicContact CB-CD1 3.41Å; A321-F434 VanDerWaalsContact CB-CD1 3.41Å; A321-F434 HydrophobicContact CB-CD2 3.83Å; A321-F434 HydrophobicContact CB-CE1 4Å; A321-F434 HydrophobicContact CB-CE2 4.37Å; A321-F434 HydrophobicContact CB-CG 3.3Å; A321-F434 HydrophobicContact CB-CZ 4.44Å | ||
| 322 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -59 | 141.7 | 173.4 | -22.6 | 34.8 | 0 | 0 | 0 | 112.1 | L56 L58 F310 L311 V325 L372 N432 | L56-P322 HydrophobicContact CD2-CG 4.47Å; L56-P322 HydrophobicContact CG-CB 4.47Å; L56-P322 CarbonylContact O-C 3.52Å; L56-P322 WeakPolarHBondContact O-CA 3.19Å; L58-P322 HydrophobicContact CB-CB 3.95Å; L58-P322 HydrophobicContact CB-CG 3.69Å; L58-P322 HydrophobicContact CD2-CG 4.18Å; F310-P322 HydrophobicContact CD1-CG 4.16Å; F310-P322 HydrophobicContact CE1-CG 3.69Å; L311-P322 HydrophobicContact CD2-CG 3.85Å; P322-V325 HydrophobicContact CB-CG2 4.5Å; P322-L372 WeakPolarHBondContact O-CD2 3.47Å; P322-N432 PolarHBondContact O-ND2 3.27Å | ||
| 323 | D | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 14 Ų | 14 | 11% | 0.112 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -76.7 | -26.6 | 167.4 | -67.1 | -98 | 0 | 0 | 0 | 111.9 | K55 L56 I427 N432 | K55-D323 VanDerWaalsContact CA-OD2 3.27Å; K55-D323 WeakPolarHBondContact CA-OD2 3.39Å; K55-D323 HydrophobicContact CB-CB 4.43Å; K55-D323 HydrophobicContact CD-CB 4.19Å; K55-D323 VanDerWaalsContact CD-CG 3.44Å; K55-D323 WeakPolarHBondContact CD-OD1 3.27Å; K55-D323 IonicContact NZ-OD1 2.76Å; K55-D323 PolarHBondContact NZ-OD1 2.83Å; L56-D323 PolarHBondContact N-OD2 3.2Å; L56-D323 PolarHBondContact O-N 3.11Å; D323-I427 HydrophobicContact CB-CD1 4.24Å; D323-I427 HydrophobicContact CB-CG1 4.09Å; D323-I427 HydrophobicContact CB-CG2 4.11Å; D323-N432 WeakPolarHBondContact CA-ND2 3.42Å |
| 324 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L56 I57 L58 T426 I427 | L56-A324 PolarHBondContact O-N 2.77Å; I57-A324 WeakPolarHBondContact CA-O 3.28Å; L58-A324 PolarHBondContact N-O 3.41Å; A324-T426 HydrophobicContact CB-CG2 4.49Å; A324-I427 HydrophobicContact CB-CD1 4Å; A324-I427 HydrophobicContact CB-CG1 3.64Å |
| 325 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.8 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | L58 T60 P322 I327 M367 L372 P373 V374 V375 | L58-V325 HydrophobicContact CB-CG2 4.41Å; L58-V325 HydrophobicContact CD2-CG2 4.45Å; L58-V325 CarbonylContact O-C 3.34Å; L58-V325 WeakPolarHBondContact O-CA 3.35Å; T60-V325 HydrophobicContact CG2-CG1 3.78Å; P322-V325 HydrophobicContact CB-CG2 4.5Å; V325-I327 HydrophobicContact CG1-CG1 4.23Å; V325-M367 HydrophobicContact CG1-CB 4.42Å; V325-M367 HydrophobicContact CG1-CG 4.02Å; V325-M367 HydrophobicContact CG1-SD 4.22Å; V325-L372 HydrophobicContact CG2-CB 4.16Å; V325-L372 HydrophobicContact CG2-CD1 3.72Å; V325-P373 PolarHBondContact N-O 3.29Å; V325-V374 WeakPolarHBondContact O-CA 3.2Å; V325-V375 PolarHBondContact O-N 3.41Å |
| 326 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.5 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 109 | I57 L58 V59 T60 L78 V375 A377 L419 V423 | I57-V326 HydrophobicContact CG2-CG2 3.86Å; L58-V326 PolarHBondContact O-N 3.13Å; V59-V326 WeakPolarHBondContact CA-O 3.42Å; V59-V326 HydrophobicContact CG2-CB 4.3Å; T60-V326 PolarHBondContact N-O 2.93Å; L78-V326 HydrophobicContact CD2-CG2 4Å; V326-V375 CarbonylContact C-O 3.55Å; V326-V375 VanDerWaalsContact CA-O 3.27Å; V326-V375 WeakPolarHBondContact CA-O 3.11Å; V326-A377 HydrophobicContact CG1-CB 3.69Å; V326-L419 HydrophobicContact CG1-CD1 4.48Å; V326-V423 HydrophobicContact CG2-CG2 3.73Å |
| 327 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112 | 176.1 | -53.8 | 178.2 | 0 | 0 | 0 | 108.9 | T60 I62 V325 L360 H363 I364 M367 V374 V375 V376 A377 | T60-I327 HydrophobicContact CG2-CB 4.45Å; T60-I327 HydrophobicContact CG2-CG1 3.87Å; I62-I327 HydrophobicContact CG2-CG2 4.44Å; V325-I327 HydrophobicContact CG1-CG1 4.23Å; I327-L360 HydrophobicContact CB-CD1 4.43Å; I327-L360 HydrophobicContact CG2-CD1 3.71Å; I327-H363 HydrophobicContact CD1-CB 4.24Å; I327-H363 HydrophobicContact CG2-CB 4.41Å; I327-I364 HydrophobicContact CD1-CB 4.48Å; I327-I364 HydrophobicContact CD1-CG1 4.04Å; I327-M367 HydrophobicContact CD1-CB 4.37Å; I327-M367 HydrophobicContact CD1-CG 3.93Å; I327-M367 HydrophobicContact CG1-CG 4.43Å; I327-V374 HydrophobicContact CD1-CG1 3.59Å; I327-V374 HydrophobicContact CG1-CG1 3.95Å; I327-V375 PolarHBondContact N-O 2.96Å; I327-V376 WeakPolarHBondContact O-CA 3.43Å; I327-A377 PolarHBondContact O-N 3.29Å |
| 328 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.2 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | V59 T60 S61 I62 E69 V74 A377 N379 | V59-V328 HydrophobicContact CG1-CG2 3.64Å; T60-V328 WeakPolarHBondContact O-CG2 3.4Å; T60-V328 PolarHBondContact O-N 3.09Å; S61-V328 VanDerWaalsContact CA-O 3.27Å; S61-V328 WeakPolarHBondContact CA-O 3.37Å; S61-V328 WeakPolarHBondContact CB-O 3.45Å; I62-V328 PolarHBondContact N-O 3.3Å; E69-V328 WeakPolarHBondContact O-CG1 3.33Å; V74-V328 HydrophobicContact CB-CG1 4.42Å; V74-V328 HydrophobicContact CB-CG2 3.77Å; V74-V328 HydrophobicContact CG1-CG2 3.78Å; V74-V328 HydrophobicContact CG2-CG1 3.83Å; V74-V328 HydrophobicContact CG2-CG2 4.08Å; V328-A377 WeakPolarHBondContact CA-O 3.39Å; V328-A377 HydrophobicContact CG2-CB 4.46Å; V328-N379 HydrophobicContact CG1-CB 4.18Å |
| 329 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | I62 L334 L360 A377 I378 N379 | I62-A329 HydrophobicContact CD1-CB 4.13Å; I62-A329 HydrophobicContact CG1-CB 4.48Å; I62-A329 HydrophobicContact CG2-CB 3.97Å; A329-L334 HydrophobicContact CB-CD1 4.27Å; A329-L360 HydrophobicContact CB-CD1 4.38Å; A329-L360 HydrophobicContact CB-CD2 4.13Å; A329-A377 PolarHBondContact N-O 3.07Å; A329-I378 WeakPolarHBondContact O-CA 3.22Å; A329-N379 PolarHBondContact O-N 3.49Å |
| 330 | T | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | trans | -123.8 | 148.3 | 168.2 | 62.9 | 0 | 0 | 0 | 0 | 109.4 | G68 E69 R332 A333 L334 N379 | G68-T330 PolarHBondContact O-OG1 2.63Å; E69-T330 WeakPolarHBondContact O-CG2 3.27Å; T330-R332 PolarHBondContact O-N 3.26Å; T330-A333 PolarHBondContact O-N 2.82Å; T330-A333 WeakPolarHBondContact OG1-CB 3.44Å; T330-A333 PolarHBondContact OG1-N 3Å; T330-A333 VanDerWaalsContact OG1-N 3.08Å; T330-L334 WeakPolarHBondContact O-CG 3.45Å; T330-L334 PolarHBondContact O-N 2.88Å; T330-N379 HydrophobicContact CG2-CB 3.92Å | ||
| 331 | I | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.4 | -41.1 | 175.3 | -76.3 | 160.6 | 0 | 0 | 0 | 110.3 | L334 K335 L353 D384 E388 I389 L392 | I331-L334 PolarHBondContact O-N 3.44Å; I331-K335 HydrophobicContact CG2-CD 4.29Å; I331-K335 HydrophobicContact CG2-CG 4.48Å; I331-K335 WeakPolarHBondContact O-CB 3.42Å; I331-K335 WeakPolarHBondContact O-CG 3.27Å; I331-K335 PolarHBondContact O-N 2.96Å; I331-L353 HydrophobicContact CG1-CD1 4.46Å; I331-L353 HydrophobicContact CG1-CD2 4.4Å; I331-L353 HydrophobicContact CG2-CD1 4.44Å; I331-L353 HydrophobicContact CG2-CD2 4.36Å; I331-D384 HydrophobicContact CD1-CB 3.72Å; I331-E388 HydrophobicContact CD1-CB 3.8Å; I331-E388 HydrophobicContact CG1-CB 4.34Å; I331-E388 HydrophobicContact CG2-CB 3.9Å; I331-E388 HydrophobicContact CG2-CG 4.21Å; I331-E388 WeakPolarHBondContact CG2-OE2 3.4Å; I331-I389 HydrophobicContact CD1-CB 4.39Å; I331-I389 HydrophobicContact CD1-CG1 3.55Å; I331-L392 HydrophobicContact CG1-CD2 4.01Å |
| 332 | R | 97.7 | Very high | 97.9 | Very high | 45 Ų | 45 | 18.6 Ų | 18.6 | 17% | 0.17 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.2 | -67.1 | 177.8 | 58 | -152.2 | -8 | 113.1 | A67 T330 K335 M336 L345 | A67-R332 HydrophobicContact CB-CB 4.2Å; T330-R332 PolarHBondContact O-N 3.26Å; R332-K335 PolarHBondContact O-N 2.85Å; R332-M336 PolarHBondContact O-N 3.03Å; R332-M336 VanDerWaalsContact O-N 3.09Å; R332-L345 HydrophobicContact CB-CB 4.41Å; R332-L345 HydrophobicContact CB-CD1 4.3Å; R332-L345 HydrophobicContact CG-CB 4.27Å; R332-L345 WeakPolarHBondContact O-CD2 3.33Å |
| 333 | A | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I62 T65 E69 T330 M336 H337 | I62-A333 HydrophobicContact CD1-CB 3.64Å; T65-A333 HydrophobicContact CG2-CB 3.86Å; T65-A333 VanDerWaalsContact OG1-CB 3.28Å; T65-A333 WeakPolarHBondContact OG1-CB 3.21Å; E69-A333 HydrophobicContact CG-CB 4.19Å; E69-A333 WeakPolarHBondContact OE1-CB 3.35Å; T330-A333 PolarHBondContact O-N 2.82Å; T330-A333 WeakPolarHBondContact OG1-CB 3.44Å; T330-A333 PolarHBondContact OG1-N 3Å; T330-A333 VanDerWaalsContact OG1-N 3.08Å; A333-M336 WeakPolarHBondContact O-CB 3.38Å; A333-M336 PolarHBondContact O-N 3.49Å; A333-H337 PolarHBondContact O-N 3.11Å |
| 334 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 174.6 | -66.5 | 173.8 | 0 | 0 | 0 | 111.6 | I62 A329 T330 I331 M336 H337 G338 L353 G356 L360 L392 | I62-L334 HydrophobicContact CD1-CD2 3.98Å; I62-L334 HydrophobicContact CD1-CG 4.27Å; A329-L334 HydrophobicContact CB-CD1 4.27Å; T330-L334 WeakPolarHBondContact O-CG 3.45Å; T330-L334 PolarHBondContact O-N 2.88Å; I331-L334 PolarHBondContact O-N 3.44Å; L334-M336 VanDerWaalsContact C-N 3.27Å; L334-M336 PolarHBondContact O-N 3.14Å; L334-H337 CarbonylContact O-C 3.59Å; L334-H337 WeakPolarHBondContact O-CA 3.2Å; L334-H337 WeakPolarHBondContact O-CB 3.43Å; L334-H337 PolarHBondContact O-N 3.19Å; L334-G338 PolarHBondContact O-N 3.08Å; L334-L353 HydrophobicContact CB-CD1 3.59Å; L334-L353 HydrophobicContact CD1-CD1 3.88Å; L334-L353 HydrophobicContact CG-CD1 4.4Å; L334-G356 VanDerWaalsContact O-CA 3.28Å; L334-G356 WeakPolarHBondContact O-CA 3.49Å; L334-L360 HydrophobicContact CD1-CD2 4.29Å; L334-L360 HydrophobicContact CD2-CB 3.94Å; L334-L392 HydrophobicContact CD1-CD1 3.56Å; L334-L392 HydrophobicContact CD1-CD2 3.76Å; L334-L392 HydrophobicContact CD1-CG 4.35Å |
| 335 | K | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.2 | -38.5 | 172.2 | -76.7 | -170.5 | -62.4 | -162.9 | 0 | 112.7 | I331 R332 G338 G339 M340 L345 M347 N349 A352 L353 E388 | I331-K335 HydrophobicContact CG2-CD 4.29Å; I331-K335 HydrophobicContact CG2-CG 4.48Å; I331-K335 WeakPolarHBondContact O-CB 3.42Å; I331-K335 WeakPolarHBondContact O-CG 3.27Å; I331-K335 PolarHBondContact O-N 2.96Å; R332-K335 PolarHBondContact O-N 2.85Å; K335-G338 CarbonylContact O-C 3.49Å; K335-G338 WeakPolarHBondContact O-CA 3.41Å; K335-G338 PolarHBondContact O-N 3.49Å; K335-G339 PolarHBondContact O-N 3.41Å; K335-M340 HydrophobicContact CB-CB 4.38Å; K335-M340 HydrophobicContact CB-CG 4.43Å; K335-M340 HydrophobicContact CB-SD 3.79Å; K335-M340 HydrophobicContact CD-SD 3.74Å; K335-M340 HydrophobicContact CG-SD 4.03Å; K335-M340 WeakPolarHBondContact O-CB 3.33Å; K335-M340 PolarHBondContact O-N 3.3Å; K335-L345 HydrophobicContact CB-CD2 4Å; K335-L345 PolarHBondContact NZ-O 3.05Å; K335-L345 VanDerWaalsContact NZ-O 3.14Å; K335-M347 PolarHBondContact NZ-O 3.33Å; K335-N349 HydrophobicContact CD-CB 4.13Å; K335-A352 HydrophobicContact CB-CB 4.44Å; K335-A352 HydrophobicContact CG-CB 4.29Å; K335-L353 HydrophobicContact CG-CB 4.18Å; K335-E388 VanDerWaalsContact CD-OE1 3.3Å; K335-E388 WeakPolarHBondContact CD-OE1 3.45Å; K335-E388 WeakPolarHBondContact CE-OE1 3.48Å; K335-E388 IonicContact NZ-OE1 2.75Å; K335-E388 PolarHBondContact NZ-OE1 2.89Å; K335-E388 IonicContact NZ-OE2 2.64Å; K335-E388 PolarHBondContact NZ-OE2 2.92Å |
| 336 | M | 97.7 | Very high | 97.1 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 172.1 | -70.2 | -163.8 | 71.7 | 0 | 0 | 112 | T65 P66 A67 R332 A333 L334 G338 G339 K342 L345 L501 | T65-M336 HydrophobicContact CG2-CB 4.35Å; P66-M336 HydrophobicContact CB-CE 4.29Å; P66-M336 HydrophobicContact CB-SD 4.41Å; P66-M336 HydrophobicContact CG-CE 4.03Å; A67-M336 HydrophobicContact CB-SD 3.88Å; R332-M336 PolarHBondContact O-N 3.03Å; R332-M336 VanDerWaalsContact O-N 3.09Å; A333-M336 WeakPolarHBondContact O-CB 3.38Å; A333-M336 PolarHBondContact O-N 3.49Å; L334-M336 VanDerWaalsContact C-N 3.27Å; L334-M336 PolarHBondContact O-N 3.14Å; M336-G338 PolarHBondContact O-N 3.35Å; M336-G339 PolarHBondContact O-N 2.98Å; M336-K342 HydrophobicContact CE-CB 4.22Å; M336-L345 HydrophobicContact CG-CD1 3.7Å; M336-L345 HydrophobicContact CG-CD2 3.63Å; M336-L345 HydrophobicContact CG-CG 4.19Å; M336-L345 HydrophobicContact SD-CD1 3.81Å; M336-L501 WeakPolarHBondContact O-CD1 3.26Å |
| 337 | H | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.046 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -25.5 | 174.2 | -79.4 | -54.9 | 0 | 0 | 0 | 113.4 | N63 A333 L334 G339 N359 G502 | N63-H337 PolarHBondContact O-NE2 2.73Å; A333-H337 PolarHBondContact O-N 3.11Å; L334-H337 CarbonylContact O-C 3.59Å; L334-H337 WeakPolarHBondContact O-CA 3.2Å; L334-H337 WeakPolarHBondContact O-CB 3.43Å; L334-H337 PolarHBondContact O-N 3.19Å; H337-G339 VanDerWaalsContact C-N 3.29Å; H337-N359 HydrophobicContact CB-CB 4.33Å; H337-G502 PolarHBondContact ND1-N 2.83Å |
| 338 | G | 97.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L334 K335 M336 A352 | L334-G338 PolarHBondContact O-N 3.08Å; K335-G338 CarbonylContact O-C 3.49Å; K335-G338 WeakPolarHBondContact O-CA 3.41Å; K335-G338 PolarHBondContact O-N 3.49Å; M336-G338 PolarHBondContact O-N 3.35Å; G338-A352 VanDerWaalsContact CA-O 3.32Å; G338-A352 WeakPolarHBondContact CA-O 3.49Å |
| 339 | G | 96.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.5 | 5.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K335 M336 H337 | K335-G339 PolarHBondContact O-N 3.41Å; M336-G339 PolarHBondContact O-N 2.98Å; H337-G339 VanDerWaalsContact C-N 3.29Å |
| 340 | M | 97 | Very high | 96.9 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | trans | -76.4 | 140.7 | 176 | -73.2 | -175.1 | 65.5 | 0 | 0 | 113 | K335 D344 L345 N349 A352 | K335-M340 HydrophobicContact CB-CB 4.38Å; K335-M340 HydrophobicContact CB-CG 4.43Å; K335-M340 HydrophobicContact CB-SD 3.79Å; K335-M340 HydrophobicContact CD-SD 3.74Å; K335-M340 HydrophobicContact CG-SD 4.03Å; K335-M340 WeakPolarHBondContact O-CB 3.33Å; K335-M340 PolarHBondContact O-N 3.3Å; M340-D344 HydrophobicContact CE-CB 3.83Å; M340-D344 WeakPolarHBondContact CE-O 3.29Å; M340-L345 HydrophobicContact CB-CD2 4.05Å; M340-N349 HydrophobicContact CE-CB 4.3Å; M340-N349 HydrophobicContact SD-CB 3.44Å; M340-N349 WeakPolarHBondContact SD-CB 3.44Å; M340-A352 HydrophobicContact CG-CB 3.68Å; M340-A352 HydrophobicContact SD-CB 3.69Å | ||
| 341 | A | 95.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -73.3 | 151.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A343 D344 | A341-A343 PolarHBondContact O-N 3.05Å; A341-A343 VanDerWaalsContact O-N 3.14Å; A341-D344 PolarHBondContact O-N 3.41Å; A341-D344 VanDerWaalsContact O-N 3.07Å | ||
| 342 | K | 93.5 | Very high | 96.9 | Very high | 122 Ų | 122 | 49.5 Ų | 49.5 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -54.9 | -35.8 | -178.6 | -176.9 | 178.3 | 178.2 | 159.1 | 0 | 113.5 | P66 M336 D344 L345 | P66-K342 HydrophobicContact CB-CD 3.89Å; P66-K342 VanDerWaalsContact O-CE 3.29Å; P66-K342 WeakPolarHBondContact O-CE 3.4Å; P66-K342 PolarHBondContact O-NZ 3.39Å; M336-K342 HydrophobicContact CE-CB 4.22Å; K342-D344 PolarHBondContact O-N 2.88Å; K342-L345 HydrophobicContact CG-CD1 4.41Å; K342-L345 WeakPolarHBondContact O-CG 3.16Å |
| 343 | A | 95.1 | Very high | 96.9 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -69.2 | -21.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A341 | A341-A343 PolarHBondContact O-N 3.05Å; A341-A343 VanDerWaalsContact O-N 3.14Å |
| 344 | D | 95.9 | Very high | 97 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -100.8 | -0.4 | -170.2 | -60.1 | -38.1 | 0 | 0 | 0 | 113 | M340 A341 K342 S346 M347 | M340-D344 HydrophobicContact CE-CB 3.83Å; M340-D344 WeakPolarHBondContact CE-O 3.29Å; A341-D344 PolarHBondContact O-N 3.41Å; A341-D344 VanDerWaalsContact O-N 3.07Å; K342-D344 PolarHBondContact O-N 2.88Å; D344-S346 PolarHBondContact O-N 2.78Å; D344-S346 VanDerWaalsContact O-N 3.1Å; D344-M347 HydrophobicContact CB-CE 3.54Å; D344-M347 WeakPolarHBondContact O-CB 3.33Å; D344-M347 PolarHBondContact O-N 3.31Å |
| 345 | L | 94.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.3 | -168.4 | -65.1 | 176.5 | 0 | 0 | 0 | 115.3 | A67 R332 K335 M336 M340 K342 | A67-L345 HydrophobicContact CB-CD1 3.66Å; R332-L345 HydrophobicContact CB-CB 4.41Å; R332-L345 HydrophobicContact CB-CD1 4.3Å; R332-L345 HydrophobicContact CG-CB 4.27Å; R332-L345 WeakPolarHBondContact O-CD2 3.33Å; K335-L345 HydrophobicContact CB-CD2 4Å; K335-L345 PolarHBondContact NZ-O 3.05Å; K335-L345 VanDerWaalsContact NZ-O 3.14Å; M336-L345 HydrophobicContact CG-CD1 3.7Å; M336-L345 HydrophobicContact CG-CD2 3.63Å; M336-L345 HydrophobicContact CG-CG 4.19Å; M336-L345 HydrophobicContact SD-CD1 3.81Å; M340-L345 HydrophobicContact CB-CD2 4.05Å; K342-L345 HydrophobicContact CG-CD1 4.41Å; K342-L345 WeakPolarHBondContact O-CG 3.16Å |
| 346 | S | 93.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.4 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | D344 | D344-S346 PolarHBondContact O-N 2.78Å; D344-S346 VanDerWaalsContact O-N 3.1Å |
| 347 | M | 95.8 | Very high | 97 | Very high | 104 Ų | 104 | 58 Ų | 58 | 51% | 0.512 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -89 | 138.4 | 177 | -62.6 | -173.5 | -72.1 | 0 | 0 | 110.8 | K335 D344 N349 | K335-M347 PolarHBondContact NZ-O 3.33Å; D344-M347 HydrophobicContact CB-CE 3.54Å; D344-M347 WeakPolarHBondContact O-CB 3.33Å; D344-M347 PolarHBondContact O-N 3.31Å; M347-N349 PolarHBondContact O-N 3.41Å |
| 348 | E | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | trans | -59.7 | 129.2 | 171.3 | 178.4 | 174.3 | 102.3 | 0 | 0 | 109.8 | T385 K387 E388 | E348-T385 HydrophobicContact CB-CG2 4.04Å; E348-T385 HydrophobicContact CG-CG2 4.32Å; E348-T385 VanDerWaalsContact OE2-CB 3.26Å; E348-T385 WeakPolarHBondContact OE2-CB 3.43Å; E348-T385 WeakPolarHBondContact OE2-CG2 3.33Å; E348-T385 PolarHBondContact OE2-OG1 3.23Å; E348-K387 IonicContact OE1-NZ 3.58Å; E348-K387 PolarHBondContact OE1-NZ 3.31Å; E348-E388 VanDerWaalsContact CA-OE1 3.3Å; E348-E388 WeakPolarHBondContact CA-OE1 3.29Å; E348-E388 HydrophobicContact CG-CG 4.11Å | ||
| 349 | N | 98 | Very high | 97 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | trans | -151.9 | 93.6 | 173.2 | -167.2 | -29.2 | 0 | 0 | 0 | 111.9 | K335 M340 M347 D351 A352 L353 E388 | K335-N349 HydrophobicContact CD-CB 4.13Å; M340-N349 HydrophobicContact CE-CB 4.3Å; M340-N349 HydrophobicContact SD-CB 3.44Å; M340-N349 WeakPolarHBondContact SD-CB 3.44Å; M347-N349 PolarHBondContact O-N 3.41Å; N349-D351 PolarHBondContact O-N 3.29Å; N349-D351 PolarHBondContact OD1-N 3.35Å; N349-A352 HydrophobicContact CB-CB 4.04Å; N349-A352 WeakPolarHBondContact OD1-CB 3.34Å; N349-A352 PolarHBondContact OD1-N 3Å; N349-L353 WeakPolarHBondContact O-CB 3.48Å; N349-L353 PolarHBondContact O-N 2.76Å; N349-L353 VanDerWaalsContact O-N 3.07Å; N349-E388 PolarHBondContact N-OE1 3.41Å | ||
| 350 | L | 98.4 | Very high | 97.2 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | -178.5 | -59.7 | -178.4 | 0 | 0 | 0 | 112.9 | L353 K354 K387 E388 L391 | L350-L353 PolarHBondContact O-N 3.09Å; L350-K354 WeakPolarHBondContact O-CB 3.47Å; L350-K354 PolarHBondContact O-N 2.99Å; L350-K387 HydrophobicContact CD2-CB 4.15Å; L350-E388 HydrophobicContact CD2-CB 4.42Å; L350-E388 HydrophobicContact CD2-CG 3.74Å; L350-L391 HydrophobicContact CB-CD2 3.78Å; L350-L391 HydrophobicContact CD2-CB 4.41Å; L350-L391 HydrophobicContact CD2-CD2 3.86Å; L350-L391 HydrophobicContact CG-CD2 4.33Å; L350-L391 WeakPolarHBondContact O-CD2 3.32Å |
| 351 | D | 98.3 | Very high | 97.2 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.1 | -44.2 | 179.7 | -70.4 | -34.7 | 0 | 0 | 0 | 111.4 | N349 L353 K354 N355 | N349-D351 PolarHBondContact O-N 3.29Å; N349-D351 PolarHBondContact OD1-N 3.35Å; D351-L353 VanDerWaalsContact C-N 3.34Å; D351-K354 PolarHBondContact O-N 3.26Å; D351-N355 WeakPolarHBondContact O-CB 3.07Å; D351-N355 VanDerWaalsContact O-CG 3.25Å; D351-N355 PolarHBondContact O-N 3.36Å; D351-N355 PolarHBondContact O-ND2 3.07Å |
| 352 | A | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K335 G338 M340 N349 K354 N355 G356 | K335-A352 HydrophobicContact CB-CB 4.44Å; K335-A352 HydrophobicContact CG-CB 4.29Å; G338-A352 VanDerWaalsContact CA-O 3.32Å; G338-A352 WeakPolarHBondContact CA-O 3.49Å; M340-A352 HydrophobicContact CG-CB 3.68Å; M340-A352 HydrophobicContact SD-CB 3.69Å; N349-A352 HydrophobicContact CB-CB 4.04Å; N349-A352 WeakPolarHBondContact OD1-CB 3.34Å; N349-A352 PolarHBondContact OD1-N 3Å; A352-K354 PolarHBondContact O-N 3.21Å; A352-N355 PolarHBondContact O-N 3.1Å; A352-G356 PolarHBondContact O-N 3.49Å |
| 353 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.7 | 179.1 | 57.4 | 0 | 0 | 0 | 111.6 | I331 L334 K335 N349 L350 D351 N355 G356 F357 E388 L391 L392 | I331-L353 HydrophobicContact CG1-CD1 4.46Å; I331-L353 HydrophobicContact CG1-CD2 4.4Å; I331-L353 HydrophobicContact CG2-CD1 4.44Å; I331-L353 HydrophobicContact CG2-CD2 4.36Å; L334-L353 HydrophobicContact CB-CD1 3.59Å; L334-L353 HydrophobicContact CD1-CD1 3.88Å; L334-L353 HydrophobicContact CG-CD1 4.4Å; K335-L353 HydrophobicContact CG-CB 4.18Å; N349-L353 WeakPolarHBondContact O-CB 3.48Å; N349-L353 PolarHBondContact O-N 2.76Å; N349-L353 VanDerWaalsContact O-N 3.07Å; L350-L353 PolarHBondContact O-N 3.09Å; D351-L353 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.15Å; L353-G356 PolarHBondContact O-N 3.42Å; L353-F357 PolarHBondContact O-N 3.13Å; L353-E388 HydrophobicContact CD2-CB 3.83Å; L353-E388 HydrophobicContact CD2-CG 4.16Å; L353-E388 VanDerWaalsContact CD2-O 3.3Å; L353-E388 WeakPolarHBondContact CD2-O 3.36Å; L353-L391 HydrophobicContact CD2-CB 4.5Å; L353-L391 HydrophobicContact CD2-CD2 4.23Å; L353-L391 HydrophobicContact CD2-CG 4.49Å; L353-L391 HydrophobicContact CG-CD2 4.48Å; L353-L392 HydrophobicContact CD2-CB 4.41Å |
| 354 | K | 98.5 | Very high | 97.8 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 55% | 0.548 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.7 | -172.6 | 175.1 | -178.2 | 176.1 | 0 | 112.5 | L350 D351 A352 F357 L395 | L350-K354 WeakPolarHBondContact O-CB 3.47Å; L350-K354 PolarHBondContact O-N 2.99Å; D351-K354 PolarHBondContact O-N 3.26Å; A352-K354 PolarHBondContact O-N 3.21Å; K354-F357 WeakPolarHBondContact O-CB 3.25Å; K354-L395 HydrophobicContact CG-CD1 4.49Å; K354-L395 HydrophobicContact CG-CD2 4.48Å |
| 355 | N | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 176.3 | -69.6 | -23 | 0 | 0 | 0 | 111.7 | D351 A352 L353 F357 S358 | D351-N355 WeakPolarHBondContact O-CB 3.07Å; D351-N355 VanDerWaalsContact O-CG 3.25Å; D351-N355 PolarHBondContact O-N 3.36Å; D351-N355 PolarHBondContact O-ND2 3.07Å; A352-N355 PolarHBondContact O-N 3.1Å; L353-N355 PolarHBondContact O-N 3.15Å; N355-F357 VanDerWaalsContact C-N 3.33Å; N355-F357 PolarHBondContact O-N 2.88Å; N355-S358 WeakPolarHBondContact O-CB 3.46Å; N355-S358 PolarHBondContact O-N 3.49Å; N355-S358 PolarHBondContact O-OG 3.2Å |
| 356 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -25.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L334 A352 L353 S358 N359 | L334-G356 VanDerWaalsContact O-CA 3.28Å; L334-G356 WeakPolarHBondContact O-CA 3.49Å; A352-G356 PolarHBondContact O-N 3.49Å; L353-G356 PolarHBondContact O-N 3.42Å; G356-S358 PolarHBondContact O-N 2.86Å; G356-S358 VanDerWaalsContact O-N 3.08Å; G356-N359 WeakPolarHBondContact O-CB 3.14Å; G356-N359 PolarHBondContact O-N 3.34Å |
| 357 | F | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.4 | -26.7 | 174.6 | -179.6 | -103 | 0 | 0 | 0 | 112.8 | L353 K354 N355 N359 L360 A361 L392 L395 E399 | L353-F357 PolarHBondContact O-N 3.13Å; K354-F357 WeakPolarHBondContact O-CB 3.25Å; N355-F357 VanDerWaalsContact C-N 3.33Å; N355-F357 PolarHBondContact O-N 2.88Å; F357-N359 PolarHBondContact O-N 2.9Å; F357-N359 VanDerWaalsContact O-N 3.12Å; F357-L360 HydrophobicContact CD2-CB 4.29Å; F357-L360 HydrophobicContact CD2-CD2 4.03Å; F357-L360 HydrophobicContact CD2-CG 4.45Å; F357-L360 HydrophobicContact CE2-CB 4.44Å; F357-L360 HydrophobicContact CE2-CD2 3.83Å; F357-L360 HydrophobicContact CE2-CG 4.18Å; F357-L360 PolarHBondContact O-N 3.21Å; F357-A361 HydrophobicContact CD1-CB 4.11Å; F357-A361 HydrophobicContact CE1-CB 3.76Å; F357-A361 HydrophobicContact CZ-CB 4.26Å; F357-A361 WeakPolarHBondContact O-CB 3.47Å; F357-A361 PolarHBondContact O-N 2.8Å; F357-L392 HydrophobicContact CD2-CD1 3.69Å; F357-L392 HydrophobicContact CE2-CD1 4.1Å; F357-L395 HydrophobicContact CB-CD1 3.85Å; F357-L395 HydrophobicContact CD1-CB 3.92Å; F357-L395 HydrophobicContact CD1-CD1 4.28Å; F357-L395 HydrophobicContact CD1-CD2 4.32Å; F357-L395 HydrophobicContact CD1-CG 4.41Å; F357-L395 HydrophobicContact CD2-CB 3.77Å; F357-L395 HydrophobicContact CD2-CD1 4.16Å; F357-L395 HydrophobicContact CE1-CB 3.82Å; F357-L395 HydrophobicContact CE2-CB 3.67Å; F357-L395 HydrophobicContact CG-CB 3.89Å; F357-L395 HydrophobicContact CG-CD1 3.83Å; F357-L395 HydrophobicContact CG-CG 4.35Å; F357-L395 VanDerWaalsContact CZ-C 3.41Å; F357-L395 HydrophobicContact CZ-CB 3.71Å; F357-L395 WeakPolarHBondContact CZ-O 3.21Å; F357-E399 HydrophobicContact CE1-CG 3.8Å; F357-E399 HydrophobicContact CZ-CG 3.81Å |
| 358 | S | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -49.9 | -36.5 | 172.8 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | N355 G356 K362 A503 | N355-S358 WeakPolarHBondContact O-CB 3.46Å; N355-S358 PolarHBondContact O-N 3.49Å; N355-S358 PolarHBondContact O-OG 3.2Å; G356-S358 PolarHBondContact O-N 2.86Å; G356-S358 VanDerWaalsContact O-N 3.08Å; S358-K362 WeakPolarHBondContact O-CB 3.41Å; S358-K362 PolarHBondContact O-N 3.47Å; S358-K362 VanDerWaalsContact O-N 3.07Å; S358-A503 WeakPolarHBondContact O-CB 3.48Å; S358-A503 PolarHBondContact OG-N 3.22Å |
| 359 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -51 | 175.7 | -172.1 | -92.7 | 0 | 0 | 0 | 111.8 | I62 N63 H337 G356 F357 A361 K362 H363 G502 | I62-N359 WeakPolarHBondContact CB-OD1 3.33Å; N63-N359 PolarHBondContact N-OD1 3.44Å; N63-N359 PolarHBondContact OD1-ND2 3.34Å; H337-N359 HydrophobicContact CB-CB 4.33Å; G356-N359 WeakPolarHBondContact O-CB 3.14Å; G356-N359 PolarHBondContact O-N 3.34Å; F357-N359 PolarHBondContact O-N 2.9Å; F357-N359 VanDerWaalsContact O-N 3.12Å; N359-A361 PolarHBondContact O-N 3.37Å; N359-K362 PolarHBondContact O-N 3.41Å; N359-H363 PolarHBondContact O-CD2 3.21Å; N359-H363 PolarHBondContact O-N 2.92Å; N359-H363 VanDerWaalsContact O-N 3.11Å; N359-H363 PolarHBondContact OD1-CD2 2.85Å; N359-H363 PolarHBondContact OD1-NE2 3.48Å; N359-G502 PolarHBondContact ND2-O 2.92Å |
| 360 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.9 | 175 | 57.5 | 0 | 0 | 0 | 111.6 | I62 I327 A329 L334 F357 K362 H363 I364 V376 L392 | I62-L360 HydrophobicContact CG2-CB 3.96Å; I62-L360 HydrophobicContact CG2-CD1 3.81Å; I62-L360 HydrophobicContact CG2-CG 4.45Å; I327-L360 HydrophobicContact CB-CD1 4.43Å; I327-L360 HydrophobicContact CG2-CD1 3.71Å; A329-L360 HydrophobicContact CB-CD1 4.38Å; A329-L360 HydrophobicContact CB-CD2 4.13Å; L334-L360 HydrophobicContact CD1-CD2 4.29Å; L334-L360 HydrophobicContact CD2-CB 3.94Å; F357-L360 HydrophobicContact CD2-CB 4.29Å; F357-L360 HydrophobicContact CD2-CD2 4.03Å; F357-L360 HydrophobicContact CD2-CG 4.45Å; F357-L360 HydrophobicContact CE2-CB 4.44Å; F357-L360 HydrophobicContact CE2-CD2 3.83Å; F357-L360 HydrophobicContact CE2-CG 4.18Å; F357-L360 PolarHBondContact O-N 3.21Å; L360-K362 VanDerWaalsContact C-N 3.28Å; L360-K362 PolarHBondContact O-N 3.29Å; L360-H363 PolarHBondContact O-N 2.9Å; L360-H363 VanDerWaalsContact O-N 3.08Å; L360-I364 HydrophobicContact CD1-CD1 4.02Å; L360-I364 HydrophobicContact CD1-CG1 4.11Å; L360-I364 HydrophobicContact CG-CD1 3.77Å; L360-I364 HydrophobicContact CG-CG1 4.38Å; L360-I364 WeakPolarHBondContact O-CG1 3.46Å; L360-I364 PolarHBondContact O-N 2.86Å; L360-V376 HydrophobicContact CD1-CG1 4.36Å; L360-V376 HydrophobicContact CD1-CG2 4.24Å; L360-V376 HydrophobicContact CD2-CG1 3.99Å; L360-L392 HydrophobicContact CD2-CD1 4.05Å |
| 361 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.7 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F357 N359 I364 R365 E399 | F357-A361 HydrophobicContact CD1-CB 4.11Å; F357-A361 HydrophobicContact CE1-CB 3.76Å; F357-A361 HydrophobicContact CZ-CB 4.26Å; F357-A361 WeakPolarHBondContact O-CB 3.47Å; F357-A361 PolarHBondContact O-N 2.8Å; N359-A361 PolarHBondContact O-N 3.37Å; A361-I364 PolarHBondContact O-N 3.37Å; A361-R365 WeakPolarHBondContact O-CG 3.4Å; A361-R365 PolarHBondContact O-N 3.08Å; A361-E399 HydrophobicContact CB-CG 4.25Å |
| 362 | K | 98.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 30 Ų | 30 | 13% | 0.13 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.4 | -177.9 | 59.9 | 174.8 | 167.9 | 0 | 111.8 | S358 N359 L360 R365 N366 E455 I456 L494 A503 | S358-K362 WeakPolarHBondContact O-CB 3.41Å; S358-K362 PolarHBondContact O-N 3.47Å; S358-K362 VanDerWaalsContact O-N 3.07Å; N359-K362 PolarHBondContact O-N 3.41Å; L360-K362 VanDerWaalsContact C-N 3.28Å; L360-K362 PolarHBondContact O-N 3.29Å; K362-R365 PolarHBondContact O-N 3.31Å; K362-N366 WeakPolarHBondContact CE-OD1 3.29Å; K362-N366 PolarHBondContact NZ-OD1 3.33Å; K362-N366 WeakPolarHBondContact O-CB 3.17Å; K362-N366 PolarHBondContact O-N 3.27Å; K362-N366 PolarHBondContact O-ND2 2.85Å; K362-N366 PolarHBondContact O-OD1 2.99Å; K362-E455 PolarHBondContact NZ-O 3.31Å; K362-I456 WeakPolarHBondContact CE-O 3.42Å; K362-L494 HydrophobicContact CB-CD1 4.19Å; K362-L494 HydrophobicContact CG-CD1 3.68Å; K362-L494 HydrophobicContact CG-CD2 4.39Å; K362-A503 HydrophobicContact CB-CB 4.14Å |
| 363 | H | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.8 | -71.8 | -61 | 0 | 0 | 0 | 113.3 | N63 A303 D304 I327 N359 L360 N366 M367 | N63-H363 PolarHBondContact N-NE2 2.86Å; N63-H363 PolarHBondContact OD1-CE1 3.03Å; N63-H363 PolarHBondContact OD1-NE2 3.43Å; A303-H363 HydrophobicContact CB-CB 4.24Å; D304-H363 IonicContact OD1-CE1 3.05Å; I327-H363 HydrophobicContact CD1-CB 4.24Å; I327-H363 HydrophobicContact CG2-CB 4.41Å; N359-H363 PolarHBondContact O-CD2 3.21Å; N359-H363 PolarHBondContact O-N 2.92Å; N359-H363 VanDerWaalsContact O-N 3.11Å; N359-H363 PolarHBondContact OD1-CD2 2.85Å; N359-H363 PolarHBondContact OD1-NE2 3.48Å; L360-H363 PolarHBondContact O-N 2.9Å; L360-H363 VanDerWaalsContact O-N 3.08Å; H363-N366 PolarHBondContact O-N 2.67Å; H363-M367 WeakPolarHBondContact O-CG 3.4Å; H363-M367 PolarHBondContact O-N 3.44Å |
| 364 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.2 | -52.3 | 174 | -68 | 156.5 | 0 | 0 | 0 | 109.9 | I327 L360 A361 N366 M367 R368 V376 V401 | I327-I364 HydrophobicContact CD1-CB 4.48Å; I327-I364 HydrophobicContact CD1-CG1 4.04Å; L360-I364 HydrophobicContact CD1-CD1 4.02Å; L360-I364 HydrophobicContact CD1-CG1 4.11Å; L360-I364 HydrophobicContact CG-CD1 3.77Å; L360-I364 HydrophobicContact CG-CG1 4.38Å; L360-I364 WeakPolarHBondContact O-CG1 3.46Å; L360-I364 PolarHBondContact O-N 2.86Å; A361-I364 PolarHBondContact O-N 3.37Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.96Å; I364-M367 PolarHBondContact O-N 3.04Å; I364-R368 WeakPolarHBondContact O-CG 3.43Å; I364-R368 PolarHBondContact O-N 2.96Å; I364-V376 HydrophobicContact CD1-CG2 3.9Å; I364-V376 HydrophobicContact CG1-CG2 4.02Å; I364-V401 HydrophobicContact CD1-CG1 3.72Å; I364-V401 HydrophobicContact CG1-CG1 4.34Å; I364-V401 HydrophobicContact CG2-CB 4.18Å; I364-V401 HydrophobicContact CG2-CG1 4.42Å; I364-V401 HydrophobicContact CG2-CG2 4.22Å |
| 365 | R | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 24.1 Ų | 24.1 | 46% | 0.46 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62 | -40 | 179.1 | -66.7 | 178.9 | -139.9 | 151.5 | 3.7 | 111.8 | A361 K362 R368 K369 E399 | A361-R365 WeakPolarHBondContact O-CG 3.4Å; A361-R365 PolarHBondContact O-N 3.08Å; K362-R365 PolarHBondContact O-N 3.31Å; R365-R368 PolarHBondContact O-N 3.46Å; R365-K369 WeakPolarHBondContact O-CG 3.41Å; R365-K369 PolarHBondContact O-N 3.4Å; R365-E399 IonicContact CZ-OE1 2.78Å; R365-E399 IonicContact CZ-OE2 2.66Å; R365-E399 IonicContact NE-OE1 3.71Å; R365-E399 IonicContact NE-OE2 3.08Å; R365-E399 PolarHBondContact NE-OE2 2.91Å; R365-E399 IonicContact NH2-OE1 3.37Å; R365-E399 PolarHBondContact NH2-OE1 3.33Å; R365-E399 IonicContact NH2-OE2 3.37Å |
| 366 | N | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 177.8 | -72.6 | -10.2 | 0 | 0 | 0 | 111.9 | K362 H363 I364 R368 K369 Y370 E455 I456 | K362-N366 WeakPolarHBondContact CE-OD1 3.29Å; K362-N366 PolarHBondContact NZ-OD1 3.33Å; K362-N366 WeakPolarHBondContact O-CB 3.17Å; K362-N366 PolarHBondContact O-N 3.27Å; K362-N366 PolarHBondContact O-ND2 2.85Å; K362-N366 PolarHBondContact O-OD1 2.99Å; H363-N366 PolarHBondContact O-N 2.67Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.96Å; N366-R368 VanDerWaalsContact C-N 3.31Å; N366-R368 PolarHBondContact O-N 3.39Å; N366-K369 WeakPolarHBondContact O-CB 3.36Å; N366-K369 PolarHBondContact O-N 3.05Å; N366-Y370 WeakPolarHBondContact O-CD2 3.49Å; N366-E455 PolarHBondContact OD1-O 3.34Å; N366-I456 HydrophobicContact CB-CD1 4.07Å; N366-I456 PolarHBondContact ND2-O 3.23Å; N366-I456 PolarHBondContact OD1-O 2.99Å |
| 367 | M | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67 | -34.5 | 179.1 | -64.9 | -60.7 | 94.8 | 0 | 0 | 111.9 | A303 L311 V325 I327 H363 I364 K369 Y370 V374 | A303-M367 HydrophobicContact CB-CE 3.9Å; A303-M367 HydrophobicContact CB-CG 4.14Å; A303-M367 HydrophobicContact CB-SD 3.97Å; A303-M367 WeakPolarHBondContact O-CE 3.04Å; L311-M367 HydrophobicContact CD1-CE 4.46Å; L311-M367 HydrophobicContact CD1-SD 4.13Å; V325-M367 HydrophobicContact CG1-CB 4.42Å; V325-M367 HydrophobicContact CG1-CG 4.02Å; V325-M367 HydrophobicContact CG1-SD 4.22Å; I327-M367 HydrophobicContact CD1-CB 4.37Å; I327-M367 HydrophobicContact CD1-CG 3.93Å; I327-M367 HydrophobicContact CG1-CG 4.43Å; H363-M367 WeakPolarHBondContact O-CG 3.4Å; H363-M367 PolarHBondContact O-N 3.44Å; I364-M367 PolarHBondContact O-N 3.04Å; M367-K369 VanDerWaalsContact C-N 3.3Å; M367-K369 PolarHBondContact O-N 3.1Å; M367-Y370 HydrophobicContact CE-CD2 4.34Å; M367-Y370 HydrophobicContact CE-CE2 4.05Å; M367-Y370 PolarHBondContact O-N 3.12Å; M367-V374 HydrophobicContact CB-CG2 3.76Å |
| 368 | R | 97.1 | Very high | 98.3 | Very high | 86 Ų | 86 | 18.6 Ų | 18.6 | 33% | 0.325 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -65.4 | -28 | 172.6 | -76.3 | 178.9 | 171.2 | 165 | -3.6 | 114.2 | I364 R365 N366 Y370 G371 V374 E399 D400 | I364-R368 WeakPolarHBondContact O-CG 3.43Å; I364-R368 PolarHBondContact O-N 2.96Å; R365-R368 PolarHBondContact O-N 3.46Å; N366-R368 VanDerWaalsContact C-N 3.31Å; N366-R368 PolarHBondContact O-N 3.39Å; R368-Y370 PolarHBondContact O-N 3.08Å; R368-G371 PolarHBondContact O-N 3Å; R368-V374 HydrophobicContact CG-CG2 3.89Å; R368-E399 PolarHBondContact NH1-O 2.88Å; R368-D400 VanDerWaalsContact NH2-C 3.33Å; R368-D400 PolarHBondContact NH2-O 3.31Å |
| 369 | K | 97.1 | Very high | 98.3 | Very high | 69 Ų | 69 | 17.3 Ų | 17.3 | 30% | 0.3 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.8 | 174.2 | -73.8 | -179.4 | -179.7 | -170.4 | 0 | 113 | R365 N366 M367 G371 H435 I437 E455 | R365-K369 WeakPolarHBondContact O-CG 3.41Å; R365-K369 PolarHBondContact O-N 3.4Å; N366-K369 WeakPolarHBondContact O-CB 3.36Å; N366-K369 PolarHBondContact O-N 3.05Å; M367-K369 VanDerWaalsContact C-N 3.3Å; M367-K369 PolarHBondContact O-N 3.1Å; K369-G371 VanDerWaalsContact C-N 3.25Å; K369-G371 PolarHBondContact O-N 3.19Å; K369-H435 PolarHBondContact O-CE1 3.47Å; K369-H435 PolarHBondContact O-NE2 3.33Å; K369-I437 HydrophobicContact CB-CG2 4.16Å; K369-E455 HydrophobicContact CD-CB 4.23Å; K369-E455 PolarHBondContact NZ-O 3.12Å; K369-E455 IonicContact NZ-OE2 2.63Å; K369-E455 PolarHBondContact NZ-OE2 3.38Å |
| 370 | Y | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.1 | 172.7 | -67.1 | -91.4 | 0 | 0 | 0 | 113.1 | E308 L311 D312 N366 M367 R368 F434 H435 I437 I456 | E308-Y370 WeakPolarHBondContact CG-OH 3.44Å; L311-Y370 HydrophobicContact CB-CD1 3.92Å; L311-Y370 HydrophobicContact CB-CE1 3.78Å; L311-Y370 HydrophobicContact CD1-CD1 3.76Å; L311-Y370 HydrophobicContact CD1-CD2 3.5Å; L311-Y370 VanDerWaalsContact CD1-CD2 3.5Å; L311-Y370 HydrophobicContact CD1-CE1 4.05Å; L311-Y370 HydrophobicContact CD1-CE2 3.8Å; L311-Y370 HydrophobicContact CD1-CG 3.49Å; L311-Y370 VanDerWaalsContact CD1-CG 3.49Å; L311-Y370 HydrophobicContact CG-CD1 4.43Å; D312-Y370 WeakPolarHBondContact OD2-CE1 3.24Å; D312-Y370 PolarHBondContact OD2-OH 3.29Å; N366-Y370 WeakPolarHBondContact O-CD2 3.49Å; M367-Y370 HydrophobicContact CE-CD2 4.34Å; M367-Y370 HydrophobicContact CE-CE2 4.05Å; M367-Y370 PolarHBondContact O-N 3.12Å; R368-Y370 PolarHBondContact O-N 3.08Å; Y370-F434 AromaticContact CD1-CE2 3.9Å; Y370-F434 HydrophobicContact CD1-CE2 3.9Å; Y370-F434 HydrophobicContact CG-CE2 4.45Å; Y370-F434 CarbonylContact O-C 3.59Å; Y370-F434 WeakPolarHBondContact O-CA 3.47Å; Y370-H435 WeakPolarHBondContact CA-O 3.24Å; Y370-H435 WeakPolarHBondContact CD1-O 3.48Å; Y370-H435 PolarHBondContact O-N 3.31Å; Y370-I437 HydrophobicContact CD1-CG2 4.19Å; Y370-I437 HydrophobicContact CD2-CG2 4.28Å; Y370-I437 HydrophobicContact CE1-CB 4.45Å; Y370-I437 HydrophobicContact CE1-CG1 4.14Å; Y370-I437 HydrophobicContact CE1-CG2 3.83Å; Y370-I437 HydrophobicContact CE2-CG2 3.92Å; Y370-I437 HydrophobicContact CG-CG2 4.4Å; Y370-I437 WeakPolarHBondContact OH-CD1 3.5Å; Y370-I456 HydrophobicContact CE2-CD1 3.91Å |
| 371 | G | 97.3 | Very high | 98 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 22% | 0.216 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 25.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R368 K369 H433 | R368-G371 PolarHBondContact O-N 3Å; K369-G371 VanDerWaalsContact C-N 3.25Å; K369-G371 PolarHBondContact O-N 3.19Å; G371-H433 PolarHBondContact O-N 3.09Å |
| 372 | L | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | trans | -103 | 142.6 | -176.7 | -65.7 | 174 | 0 | 0 | 0 | 112.5 | L311 P322 V325 N432 F434 | L311-L372 HydrophobicContact CD1-CD1 3.86Å; L311-L372 HydrophobicContact CD2-CD1 3.56Å; L311-L372 HydrophobicContact CG-CD1 4.39Å; P322-L372 WeakPolarHBondContact O-CD2 3.47Å; V325-L372 HydrophobicContact CG2-CB 4.16Å; V325-L372 HydrophobicContact CG2-CD1 3.72Å; L372-N432 WeakPolarHBondContact CD2-OD1 3.48Å; L372-F434 HydrophobicContact CD1-CD2 4.09Å; L372-F434 HydrophobicContact CD2-CB 4Å; L372-F434 HydrophobicContact CD2-CD2 3.95Å; L372-F434 HydrophobicContact CD2-CG 4.4Å; L372-F434 HydrophobicContact CG-CD2 4.05Å | ||
| 373 | P | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | trans | -62.8 | 139.2 | 166.3 | -21 | 33 | 0 | 0 | 0 | 111.8 | V325 T426 E430 N432 | V325-P373 PolarHBondContact N-O 3.29Å; P373-T426 HydrophobicContact CB-CG2 3.41Å; P373-T426 VanDerWaalsContact CB-CG2 3.41Å; P373-T426 HydrophobicContact CG-CG2 4.48Å; P373-E430 HydrophobicContact CB-CB 4.16Å; P373-E430 HydrophobicContact CG-CB 4.04Å; P373-N432 HydrophobicContact CG-CB 4.45Å | ||
| 374 | V | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.8 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | V325 I327 M367 R368 V401 | V325-V374 WeakPolarHBondContact O-CA 3.2Å; I327-V374 HydrophobicContact CD1-CG1 3.59Å; I327-V374 HydrophobicContact CG1-CG1 3.95Å; M367-V374 HydrophobicContact CB-CG2 3.76Å; R368-V374 HydrophobicContact CG-CG2 3.89Å; V374-V401 HydrophobicContact CB-CG2 4.14Å; V374-V401 HydrophobicContact CG1-CG2 3.97Å; V374-V401 WeakPolarHBondContact O-CG2 3.49Å |
| 375 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.5 | 170.6 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | V325 V326 I327 K402 L419 T422 V423 T426 | V325-V375 PolarHBondContact O-N 3.41Å; V326-V375 CarbonylContact C-O 3.55Å; V326-V375 VanDerWaalsContact CA-O 3.27Å; V326-V375 WeakPolarHBondContact CA-O 3.11Å; I327-V375 PolarHBondContact N-O 2.96Å; V375-K402 HydrophobicContact CG2-CB 4.49Å; V375-L419 HydrophobicContact CG1-CD1 3.82Å; V375-T422 HydrophobicContact CG1-CG2 4.01Å; V375-T422 HydrophobicContact CG2-CG2 4.44Å; V375-V423 HydrophobicContact CB-CG2 4.34Å; V375-V423 HydrophobicContact CG1-CG2 4.32Å; V375-V423 HydrophobicContact CG2-CG2 4.3Å; V375-T426 HydrophobicContact CG2-CG2 4.06Å |
| 376 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.6 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | I327 L360 I364 V401 K402 V403 E404 | I327-V376 WeakPolarHBondContact O-CA 3.43Å; L360-V376 HydrophobicContact CD1-CG1 4.36Å; L360-V376 HydrophobicContact CD1-CG2 4.24Å; L360-V376 HydrophobicContact CD2-CG1 3.99Å; I364-V376 HydrophobicContact CD1-CG2 3.9Å; I364-V376 HydrophobicContact CG1-CG2 4.02Å; V376-V401 HydrophobicContact CG2-CG1 3.72Å; V376-V401 HydrophobicContact CG2-CG2 4.14Å; V376-K402 PolarHBondContact N-O 2.78Å; V376-V403 HydrophobicContact CB-CB 4.04Å; V376-V403 HydrophobicContact CB-CG2 3.91Å; V376-V403 HydrophobicContact CG1-CG2 3.86Å; V376-V403 WeakPolarHBondContact O-CA 3.32Å; V376-E404 PolarHBondContact O-N 3.27Å |
| 377 | A | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V74 V326 I327 V328 A329 N379 L419 | V74-A377 HydrophobicContact CG1-CB 4.03Å; V326-A377 HydrophobicContact CG1-CB 3.69Å; I327-A377 PolarHBondContact O-N 3.29Å; V328-A377 WeakPolarHBondContact CA-O 3.39Å; V328-A377 HydrophobicContact CG2-CB 4.46Å; A329-A377 PolarHBondContact N-O 3.07Å; A377-N379 PolarHBondContact O-N 3.19Å; A377-L419 HydrophobicContact CB-CD1 3.96Å; A377-L419 HydrophobicContact CB-CD2 3.71Å |
| 378 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 106.2 | 172.2 | -52.8 | 169.5 | 0 | 0 | 0 | 107.2 | A329 E380 L392 K393 V403 E404 L405 A406 | A329-I378 WeakPolarHBondContact O-CA 3.22Å; I378-E380 PolarHBondContact O-N 3.42Å; I378-L392 HydrophobicContact CB-CD2 4.48Å; I378-L392 HydrophobicContact CD1-CB 4.21Å; I378-L392 HydrophobicContact CD1-CD2 3.69Å; I378-L392 HydrophobicContact CD1-CG 3.81Å; I378-L392 HydrophobicContact CG1-CD2 3.71Å; I378-L392 HydrophobicContact CG1-CG 4.21Å; I378-L392 HydrophobicContact CG2-CD2 3.99Å; I378-K393 HydrophobicContact CD1-CG 4.11Å; I378-V403 HydrophobicContact CD1-CG2 3.59Å; I378-V403 HydrophobicContact CG1-CG2 3.75Å; I378-E404 PolarHBondContact N-O 3.03Å; I378-L405 HydrophobicContact CB-CD1 3.99Å; I378-L405 HydrophobicContact CG2-CD1 3.85Å; I378-A406 PolarHBondContact O-N 3.12Å |
| 379 | N | 98 | Very high | 97.4 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 110.1 | 175.7 | -178.3 | 26.3 | 0 | 0 | 0 | 109.3 | E69 V74 V328 A329 T330 A377 | E69-N379 PolarHBondContact O-ND2 3.3Å; V74-N379 HydrophobicContact CG2-CB 3.89Å; V328-N379 HydrophobicContact CG1-CB 4.18Å; A329-N379 PolarHBondContact O-N 3.49Å; T330-N379 HydrophobicContact CG2-CB 3.92Å; A377-N379 PolarHBondContact O-N 3.19Å |
| 380 | E | 97.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 36 Ų | 36 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | trans | -68 | 136.1 | -170.9 | -171.9 | -179.7 | -153.4 | 0 | 0 | 111.6 | I378 L405 A406 S407 K411 | I378-E380 PolarHBondContact O-N 3.42Å; E380-L405 HydrophobicContact CB-CD1 3.81Å; E380-L405 HydrophobicContact CB-CG 4.13Å; E380-L405 HydrophobicContact CG-CD1 4.12Å; E380-L405 HydrophobicContact CG-CD2 4.34Å; E380-L405 HydrophobicContact CG-CG 4.41Å; E380-A406 PolarHBondContact N-O 3.07Å; E380-S407 WeakPolarHBondContact OE2-CB 3.03Å; E380-S407 PolarHBondContact OE2-OG 2.92Å; E380-K411 IonicContact OE2-NZ 2.64Å | ||
| 381 | F | 94.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | trans | -123.2 | 150.1 | 171.7 | -158.4 | -97.4 | 0 | 0 | 0 | 111.8 | S383 D384 | F381-S383 WeakPolarHBondContact CD1-OG 3.26Å; F381-S383 PolarHBondContact O-N 2.72Å; F381-D384 PolarHBondContact N-OD2 2.96Å; F381-D384 VanDerWaalsContact O-CB 3.27Å; F381-D384 WeakPolarHBondContact O-CB 3.44Å; F381-D384 PolarHBondContact O-N 3.27Å | ||
| 382 | I | 91.9 | Very high | 97.5 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 61% | 0.605 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.6 | -172.9 | -57.3 | 167.2 | 0 | 0 | 0 | 113.3 | M1 | M1-I382 HydrophobicContact CE-CD1 3.72Š|
| 383 | S | 93.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -6.3 | 179.9 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | F381 | F381-S383 WeakPolarHBondContact CD1-OG 3.26Å; F381-S383 PolarHBondContact O-N 2.72Å |
| 384 | D | 96.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -71.9 | 135.7 | -178.2 | -62.8 | -13 | 0 | 0 | 0 | 109.1 | I331 F381 I389 | I331-D384 HydrophobicContact CD1-CB 3.72Å; F381-D384 PolarHBondContact N-OD2 2.96Å; F381-D384 VanDerWaalsContact O-CB 3.27Å; F381-D384 WeakPolarHBondContact O-CB 3.44Å; F381-D384 PolarHBondContact O-N 3.27Å; D384-I389 HydrophobicContact CB-CD1 4.44Å; D384-I389 HydrophobicContact CB-CG1 4.44Å | ||
| 385 | T | 98 | Very high | 97.6 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | trans | -97.2 | 154.1 | -179.7 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | E348 K387 E388 I389 | E348-T385 HydrophobicContact CB-CG2 4.04Å; E348-T385 HydrophobicContact CG-CG2 4.32Å; E348-T385 VanDerWaalsContact OE2-CB 3.26Å; E348-T385 WeakPolarHBondContact OE2-CB 3.43Å; E348-T385 WeakPolarHBondContact OE2-CG2 3.33Å; E348-T385 PolarHBondContact OE2-OG1 3.23Å; T385-K387 PolarHBondContact O-N 3.42Å; T385-K387 VanDerWaalsContact O-N 3.11Å; T385-E388 PolarHBondContact N-OE2 2.8Å; T385-E388 PolarHBondContact O-N 2.91Å; T385-E388 WeakPolarHBondContact OG1-CG 3.29Å; T385-E388 PolarHBondContact OG1-N 3.46Å; T385-I389 WeakPolarHBondContact O-CG1 3.46Å; T385-I389 PolarHBondContact O-N 3.1Å | ||
| 386 | D | 97.9 | Very high | 97.6 | Very high | 134 Ų | 134 | 43.5 Ų | 43.5 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -54.4 | -33.4 | 175.5 | -67.5 | -27.5 | 0 | 0 | 0 | 112.4 | T390 | D386-T390 VanDerWaalsContact O-CB 3.27Å; D386-T390 WeakPolarHBondContact O-CB 3.28Å; D386-T390 PolarHBondContact O-N 3.44Å; D386-T390 PolarHBondContact O-OG1 3.43Å |
| 387 | K | 98.4 | Very high | 97.6 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.4 | -42.2 | 177 | -64 | -177.6 | -166.9 | 161.9 | 0 | 112.2 | E348 L350 T385 L391 | E348-K387 IonicContact OE1-NZ 3.58Å; E348-K387 PolarHBondContact OE1-NZ 3.31Å; L350-K387 HydrophobicContact CD2-CB 4.15Å; T385-K387 PolarHBondContact O-N 3.42Å; T385-K387 VanDerWaalsContact O-N 3.11Å; K387-L391 WeakPolarHBondContact O-CB 3.46Å; K387-L391 PolarHBondContact O-N 2.88Å |
| 388 | E | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176 | -73.2 | 178.5 | 144 | 0 | 0 | 111 | I331 K335 E348 N349 L350 L353 T385 L391 L392 | I331-E388 HydrophobicContact CD1-CB 3.8Å; I331-E388 HydrophobicContact CG1-CB 4.34Å; I331-E388 HydrophobicContact CG2-CB 3.9Å; I331-E388 HydrophobicContact CG2-CG 4.21Å; I331-E388 WeakPolarHBondContact CG2-OE2 3.4Å; K335-E388 VanDerWaalsContact CD-OE1 3.3Å; K335-E388 WeakPolarHBondContact CD-OE1 3.45Å; K335-E388 WeakPolarHBondContact CE-OE1 3.48Å; K335-E388 IonicContact NZ-OE1 2.75Å; K335-E388 PolarHBondContact NZ-OE1 2.89Å; K335-E388 IonicContact NZ-OE2 2.64Å; K335-E388 PolarHBondContact NZ-OE2 2.92Å; E348-E388 VanDerWaalsContact CA-OE1 3.3Å; E348-E388 WeakPolarHBondContact CA-OE1 3.29Å; E348-E388 HydrophobicContact CG-CG 4.11Å; N349-E388 PolarHBondContact N-OE1 3.41Å; L350-E388 HydrophobicContact CD2-CB 4.42Å; L350-E388 HydrophobicContact CD2-CG 3.74Å; L353-E388 HydrophobicContact CD2-CB 3.83Å; L353-E388 HydrophobicContact CD2-CG 4.16Å; L353-E388 VanDerWaalsContact CD2-O 3.3Å; L353-E388 WeakPolarHBondContact CD2-O 3.36Å; T385-E388 PolarHBondContact N-OE2 2.8Å; T385-E388 PolarHBondContact O-N 2.91Å; T385-E388 WeakPolarHBondContact OG1-CG 3.29Å; T385-E388 PolarHBondContact OG1-N 3.46Å; E388-L391 PolarHBondContact O-N 2.74Å; E388-L392 WeakPolarHBondContact O-CB 3.44Å; E388-L392 PolarHBondContact O-N 2.74Å |
| 389 | I | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -47.7 | 176.1 | -64.4 | 167.9 | 0 | 0 | 0 | 110.5 | I331 D384 T385 L392 K393 L405 | I331-I389 HydrophobicContact CD1-CB 4.39Å; I331-I389 HydrophobicContact CD1-CG1 3.55Å; D384-I389 HydrophobicContact CB-CD1 4.44Å; D384-I389 HydrophobicContact CB-CG1 4.44Å; T385-I389 WeakPolarHBondContact O-CG1 3.46Å; T385-I389 PolarHBondContact O-N 3.1Å; I389-L392 PolarHBondContact O-N 2.89Å; I389-K393 WeakPolarHBondContact O-CG 3.46Å; I389-K393 PolarHBondContact O-N 3.25Å; I389-L405 HydrophobicContact CD1-CD1 4.25Å; I389-L405 HydrophobicContact CD1-CD2 4.19Å; I389-L405 HydrophobicContact CG1-CD1 4.41Å; I389-L405 HydrophobicContact CG2-CD1 4.31Å; I389-L405 HydrophobicContact CG2-CD2 4.49Å |
| 390 | T | 98.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 179 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | D386 L392 K393 E394 | D386-T390 VanDerWaalsContact O-CB 3.27Å; D386-T390 WeakPolarHBondContact O-CB 3.28Å; D386-T390 PolarHBondContact O-N 3.44Å; D386-T390 PolarHBondContact O-OG1 3.43Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.41Å; T390-K393 PolarHBondContact O-N 2.77Å; T390-E394 HydrophobicContact CG2-CG 4.45Å; T390-E394 WeakPolarHBondContact O-CG 3.33Å; T390-E394 PolarHBondContact O-N 3.21Å |
| 391 | L | 98.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 177.6 | 175.5 | 60.4 | 0 | 0 | 0 | 111.9 | L350 L353 K387 E388 K393 E394 L395 | L350-L391 HydrophobicContact CB-CD2 3.78Å; L350-L391 HydrophobicContact CD2-CB 4.41Å; L350-L391 HydrophobicContact CD2-CD2 3.86Å; L350-L391 HydrophobicContact CG-CD2 4.33Å; L350-L391 WeakPolarHBondContact O-CD2 3.32Å; L353-L391 HydrophobicContact CD2-CB 4.5Å; L353-L391 HydrophobicContact CD2-CD2 4.23Å; L353-L391 HydrophobicContact CD2-CG 4.49Å; L353-L391 HydrophobicContact CG-CD2 4.48Å; K387-L391 WeakPolarHBondContact O-CB 3.46Å; K387-L391 PolarHBondContact O-N 2.88Å; E388-L391 PolarHBondContact O-N 2.74Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 3.24Å; L391-E394 PolarHBondContact O-N 2.87Å; L391-L395 HydrophobicContact CD1-CD1 4.05Å; L391-L395 HydrophobicContact CD1-CG 4.09Å; L391-L395 HydrophobicContact CG-CD1 3.98Å; L391-L395 HydrophobicContact CG-CG 4.46Å; L391-L395 WeakPolarHBondContact O-CB 3.29Å; L391-L395 VanDerWaalsContact O-CG 3.23Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 2.86Å |
| 392 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 179 | -176.6 | 53.8 | 0 | 0 | 0 | 112 | I331 L334 L353 F357 L360 I378 E388 I389 T390 L395 C396 | I331-L392 HydrophobicContact CG1-CD2 4.01Å; L334-L392 HydrophobicContact CD1-CD1 3.56Å; L334-L392 HydrophobicContact CD1-CD2 3.76Å; L334-L392 HydrophobicContact CD1-CG 4.35Å; L353-L392 HydrophobicContact CD2-CB 4.41Å; F357-L392 HydrophobicContact CD2-CD1 3.69Å; F357-L392 HydrophobicContact CE2-CD1 4.1Å; L360-L392 HydrophobicContact CD2-CD1 4.05Å; I378-L392 HydrophobicContact CB-CD2 4.48Å; I378-L392 HydrophobicContact CD1-CB 4.21Å; I378-L392 HydrophobicContact CD1-CD2 3.69Å; I378-L392 HydrophobicContact CD1-CG 3.81Å; I378-L392 HydrophobicContact CG1-CD2 3.71Å; I378-L392 HydrophobicContact CG1-CG 4.21Å; I378-L392 HydrophobicContact CG2-CD2 3.99Å; E388-L392 WeakPolarHBondContact O-CB 3.44Å; E388-L392 PolarHBondContact O-N 2.74Å; I389-L392 PolarHBondContact O-N 2.89Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.41Å; L392-L395 PolarHBondContact O-N 3.07Å; L392-C396 PolarHBondContact O-N 2.8Å; L392-C396 PolarHBondContact O-SG 3.08Å |
| 393 | K | 98.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 56.7 Ų | 56.7 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 173.9 | -73.3 | -170.7 | 170.8 | -162.4 | 0 | 111.6 | I378 I389 T390 L391 L395 C396 E397 V403 | I378-K393 HydrophobicContact CD1-CG 4.11Å; I389-K393 WeakPolarHBondContact O-CG 3.46Å; I389-K393 PolarHBondContact O-N 3.25Å; T390-K393 PolarHBondContact O-N 2.77Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 3.24Å; K393-L395 VanDerWaalsContact C-N 3.29Å; K393-L395 PolarHBondContact O-N 3.38Å; K393-C396 WeakPolarHBondContact O-CB 3.46Å; K393-C396 PolarHBondContact O-N 3.35Å; K393-C396 VanDerWaalsContact O-N 3.12Å; K393-E397 WeakPolarHBondContact O-CG 3.48Å; K393-E397 PolarHBondContact O-N 3.26Å; K393-V403 HydrophobicContact CB-CG1 4.18Å; K393-V403 HydrophobicContact CG-CG1 4.01Å; K393-V403 HydrophobicContact CG-CG2 4.44Å |
| 394 | E | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 176.6 | -71.5 | 174.8 | 179.9 | 0 | 0 | 112.4 | T390 L391 E397 Q398 | T390-E394 HydrophobicContact CG2-CG 4.45Å; T390-E394 WeakPolarHBondContact O-CG 3.33Å; T390-E394 PolarHBondContact O-N 3.21Å; L391-E394 PolarHBondContact O-N 2.87Å; E394-E397 PolarHBondContact O-N 3.3Å; E394-Q398 VanDerWaalsContact O-CG 3.29Å; E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 2.88Å |
| 395 | L | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 176.9 | -70.1 | 170 | 0 | 0 | 0 | 112.3 | K354 F357 L391 L392 K393 Q398 E399 | K354-L395 HydrophobicContact CG-CD1 4.49Å; K354-L395 HydrophobicContact CG-CD2 4.48Å; F357-L395 HydrophobicContact CB-CD1 3.85Å; F357-L395 HydrophobicContact CD1-CB 3.92Å; F357-L395 HydrophobicContact CD1-CD1 4.28Å; F357-L395 HydrophobicContact CD1-CD2 4.32Å; F357-L395 HydrophobicContact CD1-CG 4.41Å; F357-L395 HydrophobicContact CD2-CB 3.77Å; F357-L395 HydrophobicContact CD2-CD1 4.16Å; F357-L395 HydrophobicContact CE1-CB 3.82Å; F357-L395 HydrophobicContact CE2-CB 3.67Å; F357-L395 HydrophobicContact CG-CB 3.89Å; F357-L395 HydrophobicContact CG-CD1 3.83Å; F357-L395 HydrophobicContact CG-CG 4.35Å; F357-L395 VanDerWaalsContact CZ-C 3.41Å; F357-L395 HydrophobicContact CZ-CB 3.71Å; F357-L395 WeakPolarHBondContact CZ-O 3.21Å; L391-L395 HydrophobicContact CD1-CD1 4.05Å; L391-L395 HydrophobicContact CD1-CG 4.09Å; L391-L395 HydrophobicContact CG-CD1 3.98Å; L391-L395 HydrophobicContact CG-CG 4.46Å; L391-L395 WeakPolarHBondContact O-CB 3.29Å; L391-L395 VanDerWaalsContact O-CG 3.23Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 2.86Å; L392-L395 PolarHBondContact O-N 3.07Å; K393-L395 VanDerWaalsContact C-N 3.29Å; K393-L395 PolarHBondContact O-N 3.38Å; L395-Q398 PolarHBondContact O-N 2.91Å; L395-E399 PolarHBondContact O-N 3.37Å |
| 396 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | L392 K393 Q398 E399 D400 V401 V403 | L392-C396 PolarHBondContact O-N 2.8Å; L392-C396 PolarHBondContact O-SG 3.08Å; K393-C396 WeakPolarHBondContact O-CB 3.46Å; K393-C396 PolarHBondContact O-N 3.35Å; K393-C396 VanDerWaalsContact O-N 3.12Å; C396-Q398 VanDerWaalsContact C-N 3.27Å; C396-Q398 PolarHBondContact O-N 3.48Å; C396-E399 CarbonylContact O-C 3.59Å; C396-E399 WeakPolarHBondContact O-CA 3.46Å; C396-E399 PolarHBondContact O-N 3.36Å; C396-D400 PolarHBondContact O-N 3.01Å; C396-V401 HydrophobicContact CB-CG1 3.72Å; C396-V401 WeakPolarHBondContact O-CG1 3.46Å; C396-V401 PolarHBondContact O-N 2.93Å; C396-V403 HydrophobicContact CB-CB 3.76Å; C396-V403 HydrophobicContact CB-CG1 3.63Å; C396-V403 HydrophobicContact CB-CG2 4.24Å |
| 397 | E | 97.7 | Very high | 98.2 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 62% | 0.621 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.5 | -36.4 | 174.2 | -72.8 | 175.3 | -171.4 | 0 | 0 | 111.9 | K393 E394 E399 D400 | K393-E397 WeakPolarHBondContact O-CG 3.48Å; K393-E397 PolarHBondContact O-N 3.26Å; E394-E397 PolarHBondContact O-N 3.3Å; E397-E399 VanDerWaalsContact C-N 3.28Å; E397-E399 PolarHBondContact O-N 3.49Å; E397-D400 WeakPolarHBondContact O-CA 3.44Å; E397-D400 PolarHBondContact O-N 3.43Å |
| 398 | Q | 97.7 | Very high | 98.2 | Very high | 145 Ų | 145 | 44.4 Ų | 44.4 | 68% | 0.678 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.7 | -28.9 | 174.1 | -71.9 | 165.7 | 28.4 | 0 | 0 | 113.5 | E394 L395 C396 | E394-Q398 VanDerWaalsContact O-CG 3.29Å; E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 2.88Å; L395-Q398 PolarHBondContact O-N 2.91Å; C396-Q398 VanDerWaalsContact C-N 3.27Å; C396-Q398 PolarHBondContact O-N 3.48Å |
| 399 | E | 96.9 | Very high | 98.1 | Very high | 46 Ų | 46 | 48 Ų | 48 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 10.3 | 170.2 | -67 | -81.1 | 163.5 | 0 | 0 | 111.6 | F357 A361 R365 R368 L395 C396 E397 V401 | F357-E399 HydrophobicContact CE1-CG 3.8Å; F357-E399 HydrophobicContact CZ-CG 3.81Å; A361-E399 HydrophobicContact CB-CG 4.25Å; R365-E399 IonicContact CZ-OE1 2.78Å; R365-E399 IonicContact CZ-OE2 2.66Å; R365-E399 IonicContact NE-OE1 3.71Å; R365-E399 IonicContact NE-OE2 3.08Å; R365-E399 PolarHBondContact NE-OE2 2.91Å; R365-E399 IonicContact NH2-OE1 3.37Å; R365-E399 PolarHBondContact NH2-OE1 3.33Å; R365-E399 IonicContact NH2-OE2 3.37Å; R368-E399 PolarHBondContact NH1-O 2.88Å; L395-E399 PolarHBondContact O-N 3.37Å; C396-E399 CarbonylContact O-C 3.59Å; C396-E399 WeakPolarHBondContact O-CA 3.46Å; C396-E399 PolarHBondContact O-N 3.36Å; E397-E399 VanDerWaalsContact C-N 3.28Å; E397-E399 PolarHBondContact O-N 3.49Å; E399-V401 PolarHBondContact O-N 2.93Å |
| 400 | D | 96.7 | Very high | 98 | Very high | 141 Ų | 141 | 52 Ų | 52 | 75% | 0.754 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 35.4 | 179.7 | -168.7 | 37.7 | 0 | 0 | 0 | 113.1 | R368 C396 E397 | R368-D400 VanDerWaalsContact NH2-C 3.33Å; R368-D400 PolarHBondContact NH2-O 3.31Å; C396-D400 PolarHBondContact O-N 3.01Å; E397-D400 WeakPolarHBondContact O-CA 3.44Å; E397-D400 PolarHBondContact O-N 3.43Å |
| 401 | V | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | trans | -114.3 | 134.7 | 179.5 | 76.3 | 0 | 0 | 0 | 0 | 111 | I364 V374 V376 C396 E399 | I364-V401 HydrophobicContact CD1-CG1 3.72Å; I364-V401 HydrophobicContact CG1-CG1 4.34Å; I364-V401 HydrophobicContact CG2-CB 4.18Å; I364-V401 HydrophobicContact CG2-CG1 4.42Å; I364-V401 HydrophobicContact CG2-CG2 4.22Å; V374-V401 HydrophobicContact CB-CG2 4.14Å; V374-V401 HydrophobicContact CG1-CG2 3.97Å; V374-V401 WeakPolarHBondContact O-CG2 3.49Å; V376-V401 HydrophobicContact CG2-CG1 3.72Å; V376-V401 HydrophobicContact CG2-CG2 4.14Å; C396-V401 HydrophobicContact CB-CG1 3.72Å; C396-V401 WeakPolarHBondContact O-CG1 3.46Å; C396-V401 PolarHBondContact O-N 2.93Å; E399-V401 PolarHBondContact O-N 2.93Å | ||
| 402 | K | 98.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 140 | 172.2 | -72.1 | 163 | 171.8 | 170.8 | 0 | 109.9 | V375 V376 T422 T426 E430 | V375-K402 HydrophobicContact CG2-CB 4.49Å; V376-K402 PolarHBondContact N-O 2.78Å; K402-T422 HydrophobicContact CB-CG2 3.76Å; K402-T422 HydrophobicContact CD-CG2 3.96Å; K402-T422 HydrophobicContact CG-CG2 4.25Å; K402-T426 WeakPolarHBondContact CD-OG1 3.33Å; K402-T426 PolarHBondContact NZ-OG1 3.05Å; K402-E430 WeakPolarHBondContact CE-OE1 3.47Å; K402-E430 IonicContact NZ-OE1 2.86Å; K402-E430 PolarHBondContact NZ-OE1 3.1Å |
| 403 | V | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 131.9 | -175.2 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | V376 I378 K393 C396 | V376-V403 HydrophobicContact CB-CB 4.04Å; V376-V403 HydrophobicContact CB-CG2 3.91Å; V376-V403 HydrophobicContact CG1-CG2 3.86Å; V376-V403 WeakPolarHBondContact O-CA 3.32Å; I378-V403 HydrophobicContact CD1-CG2 3.59Å; I378-V403 HydrophobicContact CG1-CG2 3.75Å; K393-V403 HydrophobicContact CB-CG1 4.18Å; K393-V403 HydrophobicContact CG-CG1 4.01Å; K393-V403 HydrophobicContact CG-CG2 4.44Å; C396-V403 HydrophobicContact CB-CB 3.76Å; C396-V403 HydrophobicContact CB-CG1 3.63Å; C396-V403 HydrophobicContact CB-CG2 4.24Å |
| 404 | E | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.5 | 176.3 | -64.1 | -60.4 | 171 | 0 | 0 | 112.3 | V376 I378 L419 T422 | V376-E404 PolarHBondContact O-N 3.27Å; I378-E404 PolarHBondContact N-O 3.03Å; E404-L419 HydrophobicContact CB-CB 4.03Å; E404-L419 HydrophobicContact CB-CD1 4.15Å; E404-T422 HydrophobicContact CG-CG2 4.11Å; E404-T422 WeakPolarHBondContact CG-OG1 3.48Å; E404-T422 PolarHBondContact OE1-OG1 3.31Å |
| 405 | L | 98.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.9 | 170.4 | -172.3 | 70 | 0 | 0 | 0 | 108.5 | I378 E380 I389 | I378-L405 HydrophobicContact CB-CD1 3.99Å; I378-L405 HydrophobicContact CG2-CD1 3.85Å; E380-L405 HydrophobicContact CB-CD1 3.81Å; E380-L405 HydrophobicContact CB-CG 4.13Å; E380-L405 HydrophobicContact CG-CD1 4.12Å; E380-L405 HydrophobicContact CG-CD2 4.34Å; E380-L405 HydrophobicContact CG-CG 4.41Å; I389-L405 HydrophobicContact CD1-CD1 4.25Å; I389-L405 HydrophobicContact CD1-CD2 4.19Å; I389-L405 HydrophobicContact CG1-CD1 4.41Å; I389-L405 HydrophobicContact CG2-CD1 4.31Å; I389-L405 HydrophobicContact CG2-CD2 4.49Å |
| 406 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110 | I378 E380 G415 L419 | I378-A406 PolarHBondContact O-N 3.12Å; E380-A406 PolarHBondContact N-O 3.07Å; A406-G415 CarbonylContact C-O 3.59Å; A406-G415 WeakPolarHBondContact CA-O 3.32Å; A406-L419 HydrophobicContact CB-CD2 4.28Å |
| 407 | S | 97.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | trans | -97.6 | 22.7 | 177.7 | -41 | 0 | 0 | 0 | 0 | 112.7 | E380 W409 E410 K411 G415 | E380-S407 WeakPolarHBondContact OE2-CB 3.03Å; E380-S407 PolarHBondContact OE2-OG 2.92Å; S407-W409 PolarHBondContact O-N 3.42Å; S407-W409 VanDerWaalsContact O-N 3.13Å; S407-E410 PolarHBondContact O-N 3.02Å; S407-E410 VanDerWaalsContact O-N 3.1Å; S407-K411 PolarHBondContact O-N 3.27Å; S407-K411 PolarHBondContact OG-NZ 3.42Å; S407-K411 VanDerWaalsContact OG-NZ 3.14Å; S407-G415 PolarHBondContact N-O 3.27Å | ||
| 408 | V | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -25.2 | -167.4 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | T73 A114 G412 | T73-V408 HydrophobicContact CG2-CG2 4.23Å; A114-V408 HydrophobicContact CB-CB 4.26Å; A114-V408 HydrophobicContact CB-CG2 4.27Å; V408-G412 WeakPolarHBondContact CA-O 3.18Å; V408-G412 VanDerWaalsContact O-CA 3.3Å; V408-G412 WeakPolarHBondContact O-CA 3.37Å; V408-G412 PolarHBondContact O-N 3.47Å |
| 409 | W | 96 | Very high | 97.9 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.8 | -177.1 | 86.4 | 0 | 0 | 0 | 112.2 | M1 T73 G112 Y113 S407 | M1-W409 HydrophobicContact CE-CH2 4.32Å; M1-W409 HydrophobicContact CE-CZ3 4.15Å; M1-W409 HydrophobicContact SD-CH2 3.1Å; M1-W409 WeakPolarHBondContact SD-CH2 3.49Å; M1-W409 HydrophobicContact SD-CZ2 4.22Å; M1-W409 HydrophobicContact SD-CZ3 3.32Å; M1-W409 WeakPolarHBondContact SD-CZ3 3.45Å; T73-W409 HydrophobicContact CG2-CB 3.98Å; T73-W409 HydrophobicContact CG2-CG 4.46Å; G112-W409 CarbonylContact C-O 3.52Å; G112-W409 WeakPolarHBondContact CA-O 3.32Å; G112-W409 VanDerWaalsContact N-CD1 3.31Å; G112-W409 VanDerWaalsContact N-NE1 3.12Å; Y113-W409 PolarHBondContact N-O 2.85Å; S407-W409 PolarHBondContact O-N 3.42Å; S407-W409 VanDerWaalsContact O-N 3.13Å |
| 410 | E | 96 | Very high | 98 | Very high | 99 Ų | 99 | 40.3 Ų | 40.3 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -93 | -39.9 | 179.7 | -175.8 | 178 | -149.4 | 0 | 0 | 112.2 | Y113 S407 | Y113-E410 WeakPolarHBondContact CD2-O 3.42Å; S407-E410 PolarHBondContact O-N 3.02Å; S407-E410 VanDerWaalsContact O-N 3.1Å |
| 411 | K | 97.1 | Very high | 98.1 | Very high | 100 Ų | 100 | 38.1 Ų | 38.1 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -106.3 | 3.7 | -167.4 | -56.6 | 178.2 | -165.5 | 146.1 | 0 | 113.8 | E380 S407 D414 | E380-K411 IonicContact OE2-NZ 2.64Å; S407-K411 PolarHBondContact O-N 3.27Å; S407-K411 PolarHBondContact OG-NZ 3.42Å; S407-K411 VanDerWaalsContact OG-NZ 3.14Å; K411-D414 PolarHBondContact O-N 3.21Å |
| 412 | G | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | 55.4 | -137.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V408 D414 G415 | V408-G412 WeakPolarHBondContact CA-O 3.18Å; V408-G412 VanDerWaalsContact O-CA 3.3Å; V408-G412 WeakPolarHBondContact O-CA 3.37Å; V408-G412 PolarHBondContact O-N 3.47Å; G412-D414 VanDerWaalsContact C-N 3.26Å; G412-D414 PolarHBondContact O-N 2.81Å; G412-G415 PolarHBondContact O-N 2.79Å; G412-G415 VanDerWaalsContact O-N 3.14Å |
| 413 | P | 98.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -61.8 | -33.4 | -176.7 | 24.1 | -34.2 | 0 | 0 | 0 | 112.6 | D80 A81 K84 Y261 G415 G416 I417 | D80-P413 HydrophobicContact CB-CB 4.05Å; A81-P413 WeakPolarHBondContact CB-O 3.42Å; K84-P413 HydrophobicContact CB-CB 3.95Å; K84-P413 HydrophobicContact CG-CB 4.19Å; Y261-P413 HydrophobicContact CD1-CG 4.04Å; Y261-P413 HydrophobicContact CD2-CG 4.24Å; Y261-P413 HydrophobicContact CE1-CG 4.05Å; Y261-P413 HydrophobicContact CE2-CG 4.25Å; Y261-P413 HydrophobicContact CG-CG 4.13Å; P413-G415 PolarHBondContact O-N 3.34Å; P413-G416 PolarHBondContact O-N 2.9Å; P413-I417 PolarHBondContact O-N 3.42Å |
| 414 | D | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 35.4 Ų | 35.4 | 52% | 0.519 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -64.2 | -30.4 | -178.5 | -63.7 | -30.8 | 0 | 0 | 0 | 110.9 | K84 K411 G412 G416 | K84-D414 WeakPolarHBondContact CE-OD1 3.28Å; K84-D414 IonicContact NZ-OD1 3.89Å; K411-D414 PolarHBondContact O-N 3.21Å; G412-D414 VanDerWaalsContact C-N 3.26Å; G412-D414 PolarHBondContact O-N 2.81Å; D414-G416 PolarHBondContact O-N 3.03Å |
| 415 | G | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -75.1 | -4.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A406 S407 G412 P413 | A406-G415 CarbonylContact C-O 3.59Å; A406-G415 WeakPolarHBondContact CA-O 3.32Å; S407-G415 PolarHBondContact N-O 3.27Å; G412-G415 PolarHBondContact O-N 2.79Å; G412-G415 VanDerWaalsContact O-N 3.14Å; P413-G415 PolarHBondContact O-N 3.34Å |
| 416 | G | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -120.5 | 1.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A81 P413 D414 D418 L419 A420 | A81-G416 WeakPolarHBondContact CB-O 3.5Å; P413-G416 PolarHBondContact O-N 2.9Å; D414-G416 PolarHBondContact O-N 3.03Å; G416-D418 VanDerWaalsContact C-N 3.35Å; G416-D418 PolarHBondContact O-N 3.27Å; G416-L419 PolarHBondContact O-N 2.66Å; G416-A420 WeakPolarHBondContact O-CB 3.3Å; G416-A420 PolarHBondContact O-N 3.21Å |
| 417 | I | 98.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | -174.1 | -73 | 175.4 | 0 | 0 | 0 | 111.9 | K84 I85 P413 A420 K421 | K84-I417 HydrophobicContact CG-CD1 4.38Å; I85-I417 HydrophobicContact CG2-CG1 4.3Å; I85-I417 HydrophobicContact CG2-CG2 4.01Å; P413-I417 PolarHBondContact O-N 3.42Å; I417-A420 PolarHBondContact O-N 2.84Å; I417-K421 HydrophobicContact CG2-CD 4.16Å; I417-K421 WeakPolarHBondContact O-CG 3.34Å; I417-K421 PolarHBondContact O-N 2.85Å |
| 418 | D | 98.7 | Very high | 98.1 | Very high | 92 Ų | 92 | 40.4 Ų | 40.4 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -45.1 | -177.2 | -64.9 | -24.9 | 0 | 0 | 0 | 110.7 | G416 A420 K421 T422 | G416-D418 VanDerWaalsContact C-N 3.35Å; G416-D418 PolarHBondContact O-N 3.27Å; D418-A420 VanDerWaalsContact C-N 3.32Å; D418-A420 PolarHBondContact O-N 2.91Å; D418-K421 PolarHBondContact O-N 2.81Å; D418-T422 WeakPolarHBondContact O-CB 3.46Å; D418-T422 PolarHBondContact O-N 2.68Å; D418-T422 PolarHBondContact O-OG1 3.47Å; D418-T422 VanDerWaalsContact O-OG1 3.13Å |
| 419 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -45.2 | 171.3 | -179.8 | 64.3 | 0 | 0 | 0 | 112 | V74 L78 V326 V375 A377 E404 A406 G416 T422 V423 | V74-L419 HydrophobicContact CG1-CD2 4.01Å; L78-L419 HydrophobicContact CD1-CD2 4.17Å; L78-L419 HydrophobicContact CD1-CG 4.02Å; V326-L419 HydrophobicContact CG1-CD1 4.48Å; V375-L419 HydrophobicContact CG1-CD1 3.82Å; A377-L419 HydrophobicContact CB-CD1 3.96Å; A377-L419 HydrophobicContact CB-CD2 3.71Å; E404-L419 HydrophobicContact CB-CB 4.03Å; E404-L419 HydrophobicContact CB-CD1 4.15Å; A406-L419 HydrophobicContact CB-CD2 4.28Å; G416-L419 PolarHBondContact O-N 2.66Å; L419-T422 PolarHBondContact O-N 3.34Å; L419-V423 HydrophobicContact CD1-CG2 4.15Å; L419-V423 HydrophobicContact CG-CG2 4.44Å; L419-V423 WeakPolarHBondContact O-CB 3.03Å; L419-V423 VanDerWaalsContact O-CG2 3.26Å; L419-V423 WeakPolarHBondContact O-CG2 3.22Å; L419-V423 PolarHBondContact O-N 2.86Å |
| 420 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L78 A81 L82 I85 G416 I417 D418 V424 | L78-A420 HydrophobicContact CD1-CB 4.05Å; A81-A420 HydrophobicContact CB-CB 3.84Å; L82-A420 HydrophobicContact CD2-CB 3.93Å; L82-A420 HydrophobicContact CG-CB 3.97Å; I85-A420 HydrophobicContact CD1-CB 3.85Å; I85-A420 HydrophobicContact CG1-CB 4.46Å; G416-A420 WeakPolarHBondContact O-CB 3.3Å; G416-A420 PolarHBondContact O-N 3.21Å; I417-A420 PolarHBondContact O-N 2.84Å; D418-A420 VanDerWaalsContact C-N 3.32Å; D418-A420 PolarHBondContact O-N 2.91Å; A420-V424 VanDerWaalsContact O-CG2 3.29Å; A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 3.15Å |
| 421 | K | 98.8 | Very high | 97.8 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 175.1 | -72.8 | 172.3 | -177.4 | 166.8 | 0 | 111.3 | I85 I417 D418 V423 V424 E425 | I85-K421 HydrophobicContact CD1-CG 4.25Å; I417-K421 HydrophobicContact CG2-CD 4.16Å; I417-K421 WeakPolarHBondContact O-CG 3.34Å; I417-K421 PolarHBondContact O-N 2.85Å; D418-K421 PolarHBondContact O-N 2.81Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 3.02Å; K421-V424 PolarHBondContact O-N 3.39Å; K421-V424 VanDerWaalsContact O-N 3.15Å; K421-E425 WeakPolarHBondContact O-CB 3.34Å; K421-E425 WeakPolarHBondContact O-CG 3.21Å; K421-E425 PolarHBondContact O-N 3.22Å |
| 422 | T | 98.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | -180 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | V375 K402 E404 D418 L419 E425 T426 | V375-T422 HydrophobicContact CG1-CG2 4.01Å; V375-T422 HydrophobicContact CG2-CG2 4.44Å; K402-T422 HydrophobicContact CB-CG2 3.76Å; K402-T422 HydrophobicContact CD-CG2 3.96Å; K402-T422 HydrophobicContact CG-CG2 4.25Å; E404-T422 HydrophobicContact CG-CG2 4.11Å; E404-T422 WeakPolarHBondContact CG-OG1 3.48Å; E404-T422 PolarHBondContact OE1-OG1 3.31Å; D418-T422 WeakPolarHBondContact O-CB 3.46Å; D418-T422 PolarHBondContact O-N 2.68Å; D418-T422 PolarHBondContact O-OG1 3.47Å; D418-T422 VanDerWaalsContact O-OG1 3.13Å; L419-T422 PolarHBondContact O-N 3.34Å; T422-E425 PolarHBondContact O-N 3.38Å; T422-T426 WeakPolarHBondContact O-CB 3.47Å; T422-T426 PolarHBondContact O-N 2.78Å; T422-T426 PolarHBondContact O-OG1 2.63Å |
| 423 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | I57 V326 V375 L419 K421 E425 T426 I427 | I57-V423 HydrophobicContact CD1-CG1 3.59Å; I57-V423 HydrophobicContact CG1-CG1 3.93Å; I57-V423 HydrophobicContact CG2-CG1 4.46Å; V326-V423 HydrophobicContact CG2-CG2 3.73Å; V375-V423 HydrophobicContact CB-CG2 4.34Å; V375-V423 HydrophobicContact CG1-CG2 4.32Å; V375-V423 HydrophobicContact CG2-CG2 4.3Å; L419-V423 HydrophobicContact CD1-CG2 4.15Å; L419-V423 HydrophobicContact CG-CG2 4.44Å; L419-V423 WeakPolarHBondContact O-CB 3.03Å; L419-V423 VanDerWaalsContact O-CG2 3.26Å; L419-V423 WeakPolarHBondContact O-CG2 3.22Å; L419-V423 PolarHBondContact O-N 2.86Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 3.02Å; V423-E425 VanDerWaalsContact C-N 3.34Å; V423-E425 PolarHBondContact O-N 3.43Å; V423-T426 PolarHBondContact O-N 2.72Å; V423-I427 HydrophobicContact CG1-CD1 3.88Å; V423-I427 WeakPolarHBondContact O-CG1 3.42Å; V423-I427 PolarHBondContact O-N 3.06Å |
| 424 | V | 98.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | L82 I85 K87 Y294 A420 K421 I427 A428 | L82-V424 HydrophobicContact CD2-CG2 3.6Å; I85-V424 HydrophobicContact CD1-CG2 4.27Å; K87-V424 HydrophobicContact CG-CG2 4.08Å; Y294-V424 HydrophobicContact CE1-CG2 4.04Å; A420-V424 VanDerWaalsContact O-CG2 3.29Å; A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 3.15Å; K421-V424 PolarHBondContact O-N 3.39Å; K421-V424 VanDerWaalsContact O-N 3.15Å; V424-I427 PolarHBondContact O-N 2.95Å; V424-A428 WeakPolarHBondContact O-CB 3.42Å; V424-A428 PolarHBondContact O-N 3.13Å |
| 425 | E | 98.5 | Very high | 97.4 | Very high | 105 Ų | 105 | 54.4 Ų | 54.4 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 178.4 | -73.5 | 175.4 | -169.2 | 0 | 0 | 112.2 | K421 T422 V423 A428 N429 | K421-E425 WeakPolarHBondContact O-CB 3.34Å; K421-E425 WeakPolarHBondContact O-CG 3.21Å; K421-E425 PolarHBondContact O-N 3.22Å; T422-E425 PolarHBondContact O-N 3.38Å; V423-E425 VanDerWaalsContact C-N 3.34Å; V423-E425 PolarHBondContact O-N 3.43Å; E425-A428 PolarHBondContact O-N 3.3Å; E425-N429 WeakPolarHBondContact O-CB 3.42Å; E425-N429 PolarHBondContact O-N 3.48Å; E425-N429 VanDerWaalsContact O-N 3.08Å; E425-N429 PolarHBondContact O-ND2 3.08Å |
| 426 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -49.2 | 172.8 | -78.9 | 0 | 0 | 0 | 0 | 111.1 | A324 P373 V375 K402 T422 V423 A428 N429 E430 | A324-T426 HydrophobicContact CB-CG2 4.49Å; P373-T426 HydrophobicContact CB-CG2 3.41Å; P373-T426 VanDerWaalsContact CB-CG2 3.41Å; P373-T426 HydrophobicContact CG-CG2 4.48Å; V375-T426 HydrophobicContact CG2-CG2 4.06Å; K402-T426 WeakPolarHBondContact CD-OG1 3.33Å; K402-T426 PolarHBondContact NZ-OG1 3.05Å; T422-T426 WeakPolarHBondContact O-CB 3.47Å; T422-T426 PolarHBondContact O-N 2.78Å; T422-T426 PolarHBondContact O-OG1 2.63Å; V423-T426 PolarHBondContact O-N 2.72Å; T426-A428 PolarHBondContact O-N 3.48Å; T426-N429 PolarHBondContact O-N 3Å; T426-E430 HydrophobicContact CG2-CB 4.47Å; T426-E430 HydrophobicContact CG2-CG 4.44Å; T426-E430 WeakPolarHBondContact CG2-OE1 3.24Å; T426-E430 WeakPolarHBondContact O-CB 3.45Å; T426-E430 PolarHBondContact O-N 2.85Å; T426-E430 PolarHBondContact OG1-OE1 2.98Å |
| 427 | I | 98.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -34 | 178.2 | -69.9 | 168.4 | 0 | 0 | 0 | 111.9 | K55 I57 Y294 D323 A324 V423 V424 | K55-I427 HydrophobicContact CB-CG2 4.46Å; K55-I427 HydrophobicContact CD-CG2 3.88Å; K55-I427 HydrophobicContact CG-CG2 4.03Å; I57-I427 HydrophobicContact CD1-CD1 4.18Å; I57-I427 HydrophobicContact CG1-CD1 3.81Å; Y294-I427 HydrophobicContact CD1-CD1 4.18Å; Y294-I427 HydrophobicContact CE1-CD1 3.87Å; D323-I427 HydrophobicContact CB-CD1 4.24Å; D323-I427 HydrophobicContact CB-CG1 4.09Å; D323-I427 HydrophobicContact CB-CG2 4.11Å; A324-I427 HydrophobicContact CB-CD1 4Å; A324-I427 HydrophobicContact CB-CG1 3.64Å; V423-I427 HydrophobicContact CG1-CD1 3.88Å; V423-I427 WeakPolarHBondContact O-CG1 3.42Å; V423-I427 PolarHBondContact O-N 3.06Å; V424-I427 PolarHBondContact O-N 2.95Å |
| 428 | A | 97.5 | Very high | 97 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -77.8 | -29.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V424 E425 T426 | V424-A428 WeakPolarHBondContact O-CB 3.42Å; V424-A428 PolarHBondContact O-N 3.13Å; E425-A428 PolarHBondContact O-N 3.3Å; T426-A428 PolarHBondContact O-N 3.48Å |
| 429 | N | 97.2 | Very high | 96.8 | Very high | 128 Ų | 128 | 54 Ų | 54 | 68% | 0.684 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -117.5 | -20.1 | -166.7 | -62 | -54.5 | 0 | 0 | 0 | 114.8 | E425 T426 | E425-N429 WeakPolarHBondContact O-CB 3.42Å; E425-N429 PolarHBondContact O-N 3.48Å; E425-N429 VanDerWaalsContact O-N 3.08Å; E425-N429 PolarHBondContact O-ND2 3.08Å; T426-N429 PolarHBondContact O-N 3Å |
| 430 | E | 95 | Very high | 96.4 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -98.6 | 141.9 | -178.9 | -66.5 | 175.3 | -134.7 | 0 | 0 | 111.2 | P373 K402 T426 | P373-E430 HydrophobicContact CB-CB 4.16Å; P373-E430 HydrophobicContact CG-CB 4.04Å; K402-E430 WeakPolarHBondContact CE-OE1 3.47Å; K402-E430 IonicContact NZ-OE1 2.86Å; K402-E430 PolarHBondContact NZ-OE1 3.1Å; T426-E430 HydrophobicContact CG2-CB 4.47Å; T426-E430 HydrophobicContact CG2-CG 4.44Å; T426-E430 WeakPolarHBondContact CG2-OE1 3.24Å; T426-E430 WeakPolarHBondContact O-CB 3.45Å; T426-E430 PolarHBondContact O-N 2.85Å; T426-E430 PolarHBondContact OG1-OE1 2.98Å |
| 431 | E | 90.1 | Very high | 95.8 | Very high | 152 Ų | 152 | 63.6 Ų | 63.6 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | trans | -72.6 | 141.5 | 176.8 | -63.2 | -173.2 | 163.8 | 0 | 0 | 110.9 | H433 | E431-H433 IonicContact OE2-CD2 2.84Å; E431-H433 IonicContact OE2-CE1 3.64Å; E431-H433 IonicContact OE2-NE2 2.69Å; E431-H433 PolarHBondContact OE2-NE2 2.8Å | ||
| 432 | N | 92.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | trans | -117.1 | 111.3 | 173.2 | 178.1 | -14.4 | 0 | 0 | 0 | 108.9 | P322 D323 L372 P373 F434 | P322-N432 PolarHBondContact O-ND2 3.27Å; D323-N432 WeakPolarHBondContact CA-ND2 3.42Å; L372-N432 WeakPolarHBondContact CD2-OD1 3.48Å; P373-N432 HydrophobicContact CG-CB 4.45Å; N432-F434 PolarHBondContact OD1-N 2.96Å; N432-F434 VanDerWaalsContact OD1-N 3.13Å | ||
| 433 | H | 95.6 | Very high | 95.3 | Very high | 119 Ų | 119 | 66 Ų | 66 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | trans | -120 | 55.6 | 178.5 | -62.5 | -63.1 | 0 | 0 | 0 | 110 | G371 E431 H435 | G371-H433 PolarHBondContact O-N 3.09Å; E431-H433 IonicContact OE2-CD2 2.84Å; E431-H433 IonicContact OE2-CE1 3.64Å; E431-H433 IonicContact OE2-NE2 2.69Å; E431-H433 PolarHBondContact OE2-NE2 2.8Å; H433-H435 PolarHBondContact O-N 3.07Å; H433-H435 PolarHBondContact O-ND1 3.14Å | ||
| 434 | F | 97.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -49.5 | 128.1 | -176.4 | 175.1 | -104.2 | 0 | 0 | 0 | 112.7 | L311 V315 A321 Y370 L372 N432 | L311-F434 HydrophobicContact CB-CE2 4.07Å; L311-F434 HydrophobicContact CB-CZ 4.39Å; L311-F434 HydrophobicContact CD2-CD2 4.45Å; L311-F434 HydrophobicContact CD2-CE2 3.84Å; L311-F434 HydrophobicContact CG-CE2 4.4Å; V315-F434 HydrophobicContact CB-CZ 4.45Å; V315-F434 HydrophobicContact CG1-CD1 4.49Å; V315-F434 HydrophobicContact CG1-CE1 3.73Å; V315-F434 HydrophobicContact CG1-CZ 4.09Å; V315-F434 HydrophobicContact CG2-CZ 4.5Å; A321-F434 HydrophobicContact CB-CB 3.65Å; A321-F434 HydrophobicContact CB-CD1 3.41Å; A321-F434 VanDerWaalsContact CB-CD1 3.41Å; A321-F434 HydrophobicContact CB-CD2 3.83Å; A321-F434 HydrophobicContact CB-CE1 4Å; A321-F434 HydrophobicContact CB-CE2 4.37Å; A321-F434 HydrophobicContact CB-CG 3.3Å; A321-F434 HydrophobicContact CB-CZ 4.44Å; Y370-F434 AromaticContact CD1-CE2 3.9Å; Y370-F434 HydrophobicContact CD1-CE2 3.9Å; Y370-F434 HydrophobicContact CG-CE2 4.45Å; Y370-F434 CarbonylContact O-C 3.59Å; Y370-F434 WeakPolarHBondContact O-CA 3.47Å; L372-F434 HydrophobicContact CD1-CD2 4.09Å; L372-F434 HydrophobicContact CD2-CB 4Å; L372-F434 HydrophobicContact CD2-CD2 3.95Å; L372-F434 HydrophobicContact CD2-CG 4.4Å; L372-F434 HydrophobicContact CG-CD2 4.05Å; N432-F434 PolarHBondContact OD1-N 2.96Å; N432-F434 VanDerWaalsContact OD1-N 3.13Å | ||
| 435 | H | 96.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 66.9 Ų | 66.9 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | trans | -147 | 153.1 | 169.6 | 58.9 | -78.5 | 0 | 0 | 0 | 111.1 | K369 Y370 H433 | K369-H435 PolarHBondContact O-CE1 3.47Å; K369-H435 PolarHBondContact O-NE2 3.33Å; Y370-H435 WeakPolarHBondContact CA-O 3.24Å; Y370-H435 WeakPolarHBondContact CD1-O 3.48Å; Y370-H435 PolarHBondContact O-N 3.31Å; H433-H435 PolarHBondContact O-N 3.07Å; H433-H435 PolarHBondContact O-ND1 3.14Å | ||
| 436 | S | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | trans | -70 | 146.9 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | D312 F438 R440 | D312-S436 PolarHBondContact OD1-OG 3.13Å; D312-S436 VanDerWaalsContact OD1-OG 3.14Å; S436-F438 WeakPolarHBondContact CB-O 3.26Å; S436-F438 PolarHBondContact O-N 3.14Å; S436-F438 PolarHBondContact OG-O 2.97Å; S436-R440 PolarHBondContact OG-NE 3.25Å | ||
| 437 | I | 96.2 | Very high | 95 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -72.4 | -14.5 | 176.5 | 53 | 167.3 | 0 | 0 | 0 | 113.4 | K369 Y370 T451 I452 I456 | K369-I437 HydrophobicContact CB-CG2 4.16Å; Y370-I437 HydrophobicContact CD1-CG2 4.19Å; Y370-I437 HydrophobicContact CD2-CG2 4.28Å; Y370-I437 HydrophobicContact CE1-CB 4.45Å; Y370-I437 HydrophobicContact CE1-CG1 4.14Å; Y370-I437 HydrophobicContact CE1-CG2 3.83Å; Y370-I437 HydrophobicContact CE2-CG2 3.92Å; Y370-I437 HydrophobicContact CG-CG2 4.4Å; Y370-I437 WeakPolarHBondContact OH-CD1 3.5Å; I437-T451 HydrophobicContact CB-CG2 4.33Å; I437-T451 HydrophobicContact CD1-CG2 4.28Å; I437-T451 HydrophobicContact CG1-CG2 4.3Å; I437-T451 WeakPolarHBondContact O-CG2 3.33Å; I437-I452 HydrophobicContact CD1-CG1 3.99Å; I437-I456 HydrophobicContact CD1-CD1 3.91Å; I437-I456 HydrophobicContact CD1-CG1 3.51Å; I437-I456 HydrophobicContact CG2-CD1 4.42Å |
| 438 | F | 95.4 | Very high | 95 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -133.2 | 163.1 | 174.5 | 50.2 | -107 | 0 | 0 | 0 | 111.3 | D312 S436 R440 D443 K448 T451 I452 | D312-F438 HydrophobicContact CB-CE1 4.4Å; D312-F438 HydrophobicContact CB-CZ 3.83Å; D312-F438 WeakPolarHBondContact OD2-CE1 3.49Å; S436-F438 WeakPolarHBondContact CB-O 3.26Å; S436-F438 PolarHBondContact O-N 3.14Å; S436-F438 PolarHBondContact OG-O 2.97Å; F438-R440 HydrophobicContact CD2-CG 4.31Å; F438-R440 HydrophobicContact CE2-CG 4.09Å; F438-R440 PolarHBondContact O-N 3.18Å; F438-D443 WeakPolarHBondContact CB-OD2 3.44Å; F438-K448 HydrophobicContact CD1-CB 4.46Å; F438-K448 HydrophobicContact CD1-CG 4.35Å; F438-K448 HydrophobicContact CD2-CD 4.41Å; F438-K448 HydrophobicContact CD2-CG 3.82Å; F438-K448 HydrophobicContact CE2-CD 4.3Å; F438-K448 HydrophobicContact CE2-CG 4.06Å; F438-K448 HydrophobicContact CG-CG 3.98Å; F438-K448 HydrophobicContact CZ-CG 4.45Å; F438-T451 HydrophobicContact CB-CG2 4.02Å; F438-T451 HydrophobicContact CD1-CG2 4.24Å; F438-I452 HydrophobicContact CD1-CG1 4.36Å; F438-I452 HydrophobicContact CE1-CD1 4.03Å; F438-I452 HydrophobicContact CE1-CG1 4Å |
| 439 | T | 94 | Very high | 95.1 | Very high | 66 Ų | 66 | 63.2 Ų | 63.2 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | trans | -82.8 | 102.6 | 179.8 | -46.5 | 0 | 0 | 0 | 0 | 110.3 | E441 H442 D443 | T439-E441 VanDerWaalsContact C-N 3.32Å; T439-E441 PolarHBondContact O-N 3.19Å; T439-H442 HydrophobicContact CG2-CB 3.89Å; T439-H442 PolarHBondContact O-N 3.21Å; T439-D443 WeakPolarHBondContact CB-OD1 3.42Å; T439-D443 PolarHBondContact N-OD2 3.47Å; T439-D443 VanDerWaalsContact O-CB 3.32Å; T439-D443 WeakPolarHBondContact O-CB 3.39Å; T439-D443 PolarHBondContact O-N 3.05Å | ||
| 440 | R | 90 | Very high | 95.1 | Very high | 60 Ų | 60 | 61 Ų | 61 | 23% | 0.226 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -41.7 | -168.9 | -67.1 | 178.9 | 178.4 | 169.5 | -2.3 | 113.7 | L311 D312 S436 F438 K448 | L311-R440 PolarHBondContact O-NH2 3.19Å; D312-R440 IonicContact OD1-CZ 2.77Å; D312-R440 IonicContact OD1-NE 3.65Å; D312-R440 IonicContact OD1-NH2 2.73Å; D312-R440 PolarHBondContact OD1-NH2 2.58Å; S436-R440 PolarHBondContact OG-NE 3.25Å; F438-R440 HydrophobicContact CD2-CG 4.31Å; F438-R440 HydrophobicContact CE2-CG 4.09Å; F438-R440 PolarHBondContact O-N 3.18Å; R440-K448 PolarHBondContact O-NZ 3.4Å |
| 441 | E | 86.1 | Confident | 95.2 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.2 | -175.7 | -55.3 | 84 | -176.8 | 0 | 0 | 113.9 | T439 | T439-E441 VanDerWaalsContact C-N 3.32Å; T439-E441 PolarHBondContact O-N 3.19Å |
| 442 | H | 91 | Very high | 95.6 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.616 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -26.1 | -167.8 | -66.5 | -37.6 | 0 | 0 | 0 | 114.3 | T439 R482 | T439-H442 HydrophobicContact CG2-CB 3.89Å; T439-H442 PolarHBondContact O-N 3.21Å; H442-R482 PolarHBondContact O-NH1 3.09Å |
| 443 | D | 96.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | trans | -83.1 | 135 | -177 | -63.5 | -0.7 | 0 | 0 | 0 | 109.6 | F438 T439 E447 K448 | F438-D443 WeakPolarHBondContact CB-OD2 3.44Å; T439-D443 WeakPolarHBondContact CB-OD1 3.42Å; T439-D443 PolarHBondContact N-OD2 3.47Å; T439-D443 VanDerWaalsContact O-CB 3.32Å; T439-D443 WeakPolarHBondContact O-CB 3.39Å; T439-D443 PolarHBondContact O-N 3.05Å; D443-E447 VanDerWaalsContact CA-OE2 3.27Å; D443-E447 WeakPolarHBondContact CA-OE2 3.46Å; D443-E447 HydrophobicContact CB-CB 3.95Å; D443-K448 HydrophobicContact CB-CG 4Å; D443-K448 WeakPolarHBondContact O-CE 3.36Å; D443-K448 PolarHBondContact O-NZ 3.01Å | ||
| 444 | D | 97 | Very high | 96 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | trans | -79.2 | 173 | 172.1 | 77.6 | 28.7 | 0 | 0 | 0 | 112.1 | T446 E447 K448 D481 R482 | D444-T446 PolarHBondContact O-N 3.05Å; D444-T446 VanDerWaalsContact OD1-CA 3.32Å; D444-T446 WeakPolarHBondContact OD1-CA 3.39Å; D444-T446 WeakPolarHBondContact OD1-CB 3.38Å; D444-T446 PolarHBondContact OD1-N 3.02Å; D444-T446 PolarHBondContact OD1-OG1 3.25Å; D444-E447 PolarHBondContact N-OE2 2.96Å; D444-E447 PolarHBondContact O-N 2.94Å; D444-E447 PolarHBondContact OD1-N 3.03Å; D444-K448 WeakPolarHBondContact O-CB 3.28Å; D444-K448 VanDerWaalsContact O-CG 3.28Å; D444-K448 WeakPolarHBondContact O-CG 3.27Å; D444-K448 PolarHBondContact O-N 2.86Å; D444-D481 CarbonylContact C-O 3.53Å; D444-D481 VanDerWaalsContact CA-O 3.23Å; D444-D481 WeakPolarHBondContact CA-O 3.35Å; D444-R482 VanDerWaalsContact N-NH1 3.16Å | ||
| 445 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.8 | -32.6 | -179.7 | -66.5 | 173.8 | 0 | 0 | 0 | 112.8 | V449 L472 F475 D481 L483 I485 V523 | L445-V449 WeakPolarHBondContact O-CB 3.44Å; L445-V449 WeakPolarHBondContact O-CG2 3.24Å; L445-V449 PolarHBondContact O-N 3.24Å; L445-L472 HydrophobicContact CB-CD2 3.79Å; L445-L472 HydrophobicContact CD1-CD2 3.97Å; L445-F475 HydrophobicContact CD1-CD2 3.89Å; L445-D481 WeakPolarHBondContact CG-O 3.36Å; L445-D481 PolarHBondContact N-O 3.15Å; L445-L483 WeakPolarHBondContact CD2-O 3.35Å; L445-I485 HydrophobicContact CD2-CB 4.33Å; L445-I485 HydrophobicContact CD2-CD1 3.85Å; L445-V523 HydrophobicContact CD1-CB 4.08Å; L445-V523 HydrophobicContact CD1-CG1 4.02Å; L445-V523 HydrophobicContact CD1-CG2 4.01Å; L445-V523 HydrophobicContact CD2-CB 3.99Å; L445-V523 HydrophobicContact CD2-CG2 4.26Å |
| 446 | T | 97.5 | Very high | 96 | Very high | 36 Ų | 36 | 45 Ų | 45 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -50.9 | 180 | -39.3 | 0 | 0 | 0 | 0 | 109.5 | D444 K448 V449 E450 Y464 | D444-T446 PolarHBondContact O-N 3.05Å; D444-T446 VanDerWaalsContact OD1-CA 3.32Å; D444-T446 WeakPolarHBondContact OD1-CA 3.39Å; D444-T446 WeakPolarHBondContact OD1-CB 3.38Å; D444-T446 PolarHBondContact OD1-N 3.02Å; D444-T446 PolarHBondContact OD1-OG1 3.25Å; T446-K448 VanDerWaalsContact C-N 3.29Å; T446-K448 PolarHBondContact O-N 3.18Å; T446-V449 PolarHBondContact O-N 2.86Å; T446-E450 WeakPolarHBondContact CG2-OE1 3.5Å; T446-E450 WeakPolarHBondContact O-CB 3.36Å; T446-E450 WeakPolarHBondContact O-CG 3.25Å; T446-E450 PolarHBondContact O-N 3.38Å; T446-Y464 HydrophobicContact CG2-CE2 3.69Å; T446-Y464 VanDerWaalsContact CG2-OH 3.31Å; T446-Y464 WeakPolarHBondContact CG2-OH 3.48Å; T446-Y464 PolarHBondContact O-OH 3.24Å |
| 447 | E | 97.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 44 Ų | 44 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 178.7 | -67.9 | 169.4 | 135 | 0 | 0 | 111.6 | D443 D444 T451 | D443-E447 VanDerWaalsContact CA-OE2 3.27Å; D443-E447 WeakPolarHBondContact CA-OE2 3.46Å; D443-E447 HydrophobicContact CB-CB 3.95Å; D444-E447 PolarHBondContact N-OE2 2.96Å; D444-E447 PolarHBondContact O-N 2.94Å; D444-E447 PolarHBondContact OD1-N 3.03Å; E447-T451 VanDerWaalsContact O-CB 3.25Å; E447-T451 WeakPolarHBondContact O-CB 3.45Å; E447-T451 PolarHBondContact O-N 3.32Å; E447-T451 PolarHBondContact O-OG1 3.21Å |
| 448 | K | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.5 | -72.1 | 166.4 | 171.6 | 152 | 0 | 112 | F438 R440 D443 D444 T446 T451 I452 R482 L483 I485 | F438-K448 HydrophobicContact CD1-CB 4.46Å; F438-K448 HydrophobicContact CD1-CG 4.35Å; F438-K448 HydrophobicContact CD2-CD 4.41Å; F438-K448 HydrophobicContact CD2-CG 3.82Å; F438-K448 HydrophobicContact CE2-CD 4.3Å; F438-K448 HydrophobicContact CE2-CG 4.06Å; F438-K448 HydrophobicContact CG-CG 3.98Å; F438-K448 HydrophobicContact CZ-CG 4.45Å; R440-K448 PolarHBondContact O-NZ 3.4Å; D443-K448 HydrophobicContact CB-CG 4Å; D443-K448 WeakPolarHBondContact O-CE 3.36Å; D443-K448 PolarHBondContact O-NZ 3.01Å; D444-K448 WeakPolarHBondContact O-CB 3.28Å; D444-K448 VanDerWaalsContact O-CG 3.28Å; D444-K448 WeakPolarHBondContact O-CG 3.27Å; D444-K448 PolarHBondContact O-N 2.86Å; T446-K448 VanDerWaalsContact C-N 3.29Å; T446-K448 PolarHBondContact O-N 3.18Å; K448-T451 PolarHBondContact O-N 2.76Å; K448-I452 WeakPolarHBondContact O-CG1 3.04Å; K448-I452 PolarHBondContact O-N 2.85Å; K448-R482 PolarHBondContact NZ-O 3.37Å; K448-L483 PolarHBondContact NZ-O 2.93Å; K448-I485 HydrophobicContact CB-CB 4.35Å; K448-I485 HydrophobicContact CB-CG2 3.73Å |
| 449 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L445 T446 T451 I452 V453 V462 I485 M487 I511 F514 A525 | L445-V449 WeakPolarHBondContact O-CB 3.44Å; L445-V449 WeakPolarHBondContact O-CG2 3.24Å; L445-V449 PolarHBondContact O-N 3.24Å; T446-V449 PolarHBondContact O-N 2.86Å; V449-T451 VanDerWaalsContact C-N 3.35Å; V449-T451 PolarHBondContact O-N 2.83Å; V449-I452 PolarHBondContact O-N 3.05Å; V449-V453 HydrophobicContact CG1-CG2 4.31Å; V449-V453 VanDerWaalsContact O-CG2 3.29Å; V449-V453 WeakPolarHBondContact O-CG2 2.99Å; V449-V453 PolarHBondContact O-N 3.43Å; V449-V462 HydrophobicContact CG1-CG1 3.69Å; V449-V462 HydrophobicContact CG1-CG2 4.16Å; V449-I485 HydrophobicContact CG2-CD1 3.97Å; V449-I485 HydrophobicContact CG2-CG1 3.72Å; V449-M487 HydrophobicContact CB-SD 4.44Å; V449-M487 HydrophobicContact CG1-CE 3.92Å; V449-M487 HydrophobicContact CG1-SD 4.1Å; V449-M487 HydrophobicContact CG2-SD 3.93Å; V449-I511 HydrophobicContact CG1-CD1 3.85Å; V449-I511 HydrophobicContact CG1-CG1 4.09Å; V449-F514 HydrophobicContact CG2-CE1 4.35Å; V449-A525 HydrophobicContact CG2-CB 4.32Å |
| 450 | E | 98.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -42.8 | 179.7 | -73.3 | 174 | -173.8 | 0 | 0 | 111.8 | T446 V453 R454 V462 | T446-E450 WeakPolarHBondContact CG2-OE1 3.5Å; T446-E450 WeakPolarHBondContact O-CB 3.36Å; T446-E450 WeakPolarHBondContact O-CG 3.25Å; T446-E450 PolarHBondContact O-N 3.38Å; E450-V453 PolarHBondContact O-N 3.42Å; E450-R454 WeakPolarHBondContact O-CB 3.19Å; E450-R454 PolarHBondContact O-N 3.32Å; E450-V462 HydrophobicContact CB-CG2 4.42Å; E450-V462 HydrophobicContact CG-CB 4.16Å; E450-V462 HydrophobicContact CG-CG2 3.8Å |
| 451 | T | 97.9 | Very high | 96.5 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 173.4 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | I437 F438 E447 K448 V449 V453 R454 E455 | I437-T451 HydrophobicContact CB-CG2 4.33Å; I437-T451 HydrophobicContact CD1-CG2 4.28Å; I437-T451 HydrophobicContact CG1-CG2 4.3Å; I437-T451 WeakPolarHBondContact O-CG2 3.33Å; F438-T451 HydrophobicContact CB-CG2 4.02Å; F438-T451 HydrophobicContact CD1-CG2 4.24Å; E447-T451 VanDerWaalsContact O-CB 3.25Å; E447-T451 WeakPolarHBondContact O-CB 3.45Å; E447-T451 PolarHBondContact O-N 3.32Å; E447-T451 PolarHBondContact O-OG1 3.21Å; K448-T451 PolarHBondContact O-N 2.76Å; V449-T451 VanDerWaalsContact C-N 3.35Å; V449-T451 PolarHBondContact O-N 2.83Å; T451-V453 PolarHBondContact O-N 2.75Å; T451-R454 PolarHBondContact O-N 3.02Å; T451-E455 HydrophobicContact CG2-CG 3.96Å; T451-E455 WeakPolarHBondContact O-CB 3.27Å; T451-E455 VanDerWaalsContact O-CG 3.3Å; T451-E455 WeakPolarHBondContact O-CG 3.33Å; T451-E455 PolarHBondContact O-N 2.63Å |
| 452 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 178.7 | -67.3 | 167.4 | 0 | 0 | 0 | 110.6 | I437 F438 K448 V449 R454 I456 Y457 I485 M487 | I437-I452 HydrophobicContact CD1-CG1 3.99Å; F438-I452 HydrophobicContact CD1-CG1 4.36Å; F438-I452 HydrophobicContact CE1-CD1 4.03Å; F438-I452 HydrophobicContact CE1-CG1 4Å; K448-I452 WeakPolarHBondContact O-CG1 3.04Å; K448-I452 PolarHBondContact O-N 2.85Å; V449-I452 PolarHBondContact O-N 3.05Å; I452-R454 PolarHBondContact O-N 3Å; I452-I456 HydrophobicContact CG2-CB 4.22Å; I452-I456 HydrophobicContact CG2-CG1 4.42Å; I452-I456 WeakPolarHBondContact O-CA 3.39Å; I452-I456 VanDerWaalsContact O-CB 3.32Å; I452-I456 WeakPolarHBondContact O-CB 3.45Å; I452-I456 PolarHBondContact O-N 3.28Å; I452-Y457 HydrophobicContact CG2-CD2 4.33Å; I452-Y457 HydrophobicContact CG2-CE1 3.91Å; I452-Y457 HydrophobicContact CG2-CE2 3.68Å; I452-Y457 VanDerWaalsContact CG2-CZ 3.43Å; I452-Y457 PolarHBondContact O-N 2.94Å; I452-Y457 VanDerWaalsContact O-N 3.1Å; I452-I485 HydrophobicContact CD1-CG2 3.37Å; I452-M487 HydrophobicContact CD1-CG 3.93Å; I452-M487 HydrophobicContact CG2-CG 4.02Å |
| 453 | V | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -61.8 | -45.8 | -178.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | V449 E450 T451 Y457 G458 G459 V462 M487 V509 | V449-V453 HydrophobicContact CG1-CG2 4.31Å; V449-V453 VanDerWaalsContact O-CG2 3.29Å; V449-V453 WeakPolarHBondContact O-CG2 2.99Å; V449-V453 PolarHBondContact O-N 3.43Å; E450-V453 PolarHBondContact O-N 3.42Å; T451-V453 PolarHBondContact O-N 2.75Å; V453-Y457 HydrophobicContact CB-CD2 4.31Å; V453-Y457 HydrophobicContact CG2-CD2 3.87Å; V453-Y457 HydrophobicContact CG2-CE2 4.17Å; V453-Y457 CarbonylContact O-C 3.5Å; V453-Y457 WeakPolarHBondContact O-CB 3.5Å; V453-Y457 PolarHBondContact O-N 3.47Å; V453-G458 PolarHBondContact O-N 2.92Å; V453-G459 PolarHBondContact O-N 3.33Å; V453-V462 HydrophobicContact CB-CG2 3.84Å; V453-V462 HydrophobicContact CG1-CG2 4.02Å; V453-V462 HydrophobicContact CG2-CG2 3.75Å; V453-M487 HydrophobicContact CG2-CE 4.24Å; V453-V509 HydrophobicContact CG1-CB 4.21Å; V453-V509 HydrophobicContact CG1-CG2 3.85Å; V453-V509 HydrophobicContact CG2-CB 3.94Å; V453-V509 HydrophobicContact CG2-CG1 4.25Å; V453-V509 HydrophobicContact CG2-CG2 3.97Å |
| 454 | R | 97.3 | Very high | 97.4 | Very high | 140 Ų | 140 | 40.1 Ų | 40.1 | 53% | 0.528 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -70.6 | -52.2 | 179.2 | -173.2 | 176.3 | 68.2 | -136.6 | -7.6 | 111.9 | E450 T451 I452 G458 | E450-R454 WeakPolarHBondContact O-CB 3.19Å; E450-R454 PolarHBondContact O-N 3.32Å; T451-R454 PolarHBondContact O-N 3.02Å; I452-R454 PolarHBondContact O-N 3Å; R454-G458 WeakPolarHBondContact O-CA 3.11Å; R454-G458 PolarHBondContact O-N 3.25Å |
| 455 | E | 96.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -80.3 | -44.9 | -167.9 | -59.2 | -53.8 | 145.5 | 0 | 0 | 112.5 | K362 N366 K369 T451 | K362-E455 PolarHBondContact NZ-O 3.31Å; N366-E455 PolarHBondContact OD1-O 3.34Å; K369-E455 HydrophobicContact CD-CB 4.23Å; K369-E455 PolarHBondContact NZ-O 3.12Å; K369-E455 IonicContact NZ-OE2 2.63Å; K369-E455 PolarHBondContact NZ-OE2 3.38Å; T451-E455 HydrophobicContact CG2-CG 3.96Å; T451-E455 WeakPolarHBondContact O-CB 3.27Å; T451-E455 VanDerWaalsContact O-CG 3.3Å; T451-E455 WeakPolarHBondContact O-CG 3.33Å; T451-E455 PolarHBondContact O-N 2.63Å |
| 456 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -92.5 | -47.9 | -174.5 | -55.9 | -58.2 | 0 | 0 | 0 | 111.1 | D304 K362 N366 Y370 I437 I452 | D304-I456 HydrophobicContact CB-CG2 4.15Å; K362-I456 WeakPolarHBondContact CE-O 3.42Å; N366-I456 HydrophobicContact CB-CD1 4.07Å; N366-I456 PolarHBondContact ND2-O 3.23Å; N366-I456 PolarHBondContact OD1-O 2.99Å; Y370-I456 HydrophobicContact CE2-CD1 3.91Å; I437-I456 HydrophobicContact CD1-CD1 3.91Å; I437-I456 HydrophobicContact CD1-CG1 3.51Å; I437-I456 HydrophobicContact CG2-CD1 4.42Å; I452-I456 HydrophobicContact CG2-CB 4.22Å; I452-I456 HydrophobicContact CG2-CG1 4.42Å; I452-I456 WeakPolarHBondContact O-CA 3.39Å; I452-I456 VanDerWaalsContact O-CB 3.32Å; I452-I456 WeakPolarHBondContact O-CB 3.45Å; I452-I456 PolarHBondContact O-N 3.28Å |
| 457 | Y | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -81.9 | -34 | -177.2 | -52.9 | -25.6 | 0 | 0 | 0 | 112.3 | D304 I452 V453 M487 K489 L494 | D304-Y457 HydrophobicContact CB-CD1 4.24Å; D304-Y457 HydrophobicContact CB-CE1 4.1Å; D304-Y457 WeakPolarHBondContact O-CE1 3.24Å; I452-Y457 HydrophobicContact CG2-CD2 4.33Å; I452-Y457 HydrophobicContact CG2-CE1 3.91Å; I452-Y457 HydrophobicContact CG2-CE2 3.68Å; I452-Y457 VanDerWaalsContact CG2-CZ 3.43Å; I452-Y457 PolarHBondContact O-N 2.94Å; I452-Y457 VanDerWaalsContact O-N 3.1Å; V453-Y457 HydrophobicContact CB-CD2 4.31Å; V453-Y457 HydrophobicContact CG2-CD2 3.87Å; V453-Y457 HydrophobicContact CG2-CE2 4.17Å; V453-Y457 CarbonylContact O-C 3.5Å; V453-Y457 WeakPolarHBondContact O-CB 3.5Å; V453-Y457 PolarHBondContact O-N 3.47Å; Y457-M487 HydrophobicContact CE2-CE 3.98Å; Y457-M487 HydrophobicContact CE2-CG 4.39Å; Y457-M487 WeakPolarHBondContact OH-CB 3.29Å; Y457-M487 WeakPolarHBondContact OH-CG 3.36Å; Y457-K489 HydrophobicContact CD2-CD 4.39Å; Y457-K489 HydrophobicContact CE1-CD 4.4Å; Y457-K489 VanDerWaalsContact CE1-CE 3.46Å; Y457-K489 HydrophobicContact CE2-CD 3.99Å; Y457-L494 WeakPolarHBondContact CB-O 3.29Å |
| 458 | G | 97.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | 81.1 | 24.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V453 R454 | V453-G458 PolarHBondContact O-N 2.92Å; R454-G458 WeakPolarHBondContact O-CA 3.11Å; R454-G458 PolarHBondContact O-N 3.25Å | ||
| 459 | G | 96.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -82.7 | 168.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V453 F507 | V453-G459 PolarHBondContact O-N 3.33Å; G459-F507 CarbonylContact C-O 3.55Å; G459-F507 WeakPolarHBondContact CA-O 3.18Å | ||
| 460 | N | 94.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -93.6 | -74.5 | -177.1 | -70.2 | -19.5 | 0 | 0 | 0 | 111.6 | F507 | N460-F507 PolarHBondContact N-O 3.1Š|
| 461 | E | 95.3 | Very high | 97.2 | Very high | 133 Ų | 133 | 55.7 Ų | 55.7 | 62% | 0.621 | 27% | 0.268 | S | S | * | . | trans | -112 | 158.6 | -176.6 | -65 | -170.6 | 175 | 0 | 0 | 112.7 | D508 V509 | E461-D508 PolarHBondContact N-OD1 3.11Å; E461-D508 VanDerWaalsContact N-OD1 3.07Å; E461-D508 WeakPolarHBondContact O-CA 3.42Å; E461-D508 WeakPolarHBondContact O-CB 3.29Å; E461-V509 PolarHBondContact O-N 2.87Å | ||
| 462 | V | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.6 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | V449 E450 V453 Y464 V509 I511 | V449-V462 HydrophobicContact CG1-CG1 3.69Å; V449-V462 HydrophobicContact CG1-CG2 4.16Å; E450-V462 HydrophobicContact CB-CG2 4.42Å; E450-V462 HydrophobicContact CG-CB 4.16Å; E450-V462 HydrophobicContact CG-CG2 3.8Å; V453-V462 HydrophobicContact CB-CG2 3.84Å; V453-V462 HydrophobicContact CG1-CG2 4.02Å; V453-V462 HydrophobicContact CG2-CG2 3.75Å; V462-Y464 HydrophobicContact CB-CE2 3.97Å; V462-Y464 HydrophobicContact CG1-CD2 4.36Å; V462-Y464 HydrophobicContact CG1-CE1 3.89Å; V462-Y464 HydrophobicContact CG1-CE2 3.72Å; V462-Y464 VanDerWaalsContact CG1-CZ 3.46Å; V462-V509 CarbonylContact C-O 3.41Å; V462-V509 WeakPolarHBondContact CA-O 3.46Å; V462-I511 HydrophobicContact CG1-CD1 4.2Å; V462-I511 HydrophobicContact CG1-CG1 3.5Å |
| 463 | I | 97.8 | Very high | 96.9 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114 | -178.5 | -57.6 | 171.1 | 0 | 0 | 0 | 108.8 | D508 V509 T510 I511 | I463-D508 HydrophobicContact CD1-CB 4.06Å; I463-D508 HydrophobicContact CG1-CB 4.46Å; I463-V509 PolarHBondContact N-O 2.85Å; I463-T510 CarbonylContact O-C 3.58Å; I463-T510 WeakPolarHBondContact O-CA 3.44Å; I463-I511 PolarHBondContact O-N 2.97Å |
| 464 | Y | 98.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 62 Ų | 62 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.6 | 177.4 | -60.8 | -84.6 | 0 | 0 | 0 | 111.3 | T446 V462 A468 L472 I511 F514 | T446-Y464 HydrophobicContact CG2-CE2 3.69Å; T446-Y464 VanDerWaalsContact CG2-OH 3.31Å; T446-Y464 WeakPolarHBondContact CG2-OH 3.48Å; T446-Y464 PolarHBondContact O-OH 3.24Å; V462-Y464 HydrophobicContact CB-CE2 3.97Å; V462-Y464 HydrophobicContact CG1-CD2 4.36Å; V462-Y464 HydrophobicContact CG1-CE1 3.89Å; V462-Y464 HydrophobicContact CG1-CE2 3.72Å; V462-Y464 VanDerWaalsContact CG1-CZ 3.46Å; Y464-A468 HydrophobicContact CD1-CB 4.42Å; Y464-L472 HydrophobicContact CD1-CD1 4.13Å; Y464-L472 HydrophobicContact CE1-CD1 4.3Å; Y464-I511 HydrophobicContact CD1-CB 3.79Å; Y464-I511 HydrophobicContact CD1-CG1 3.96Å; Y464-I511 HydrophobicContact CD1-CG2 4.28Å; Y464-I511 HydrophobicContact CE1-CB 4.09Å; Y464-I511 HydrophobicContact CE1-CG1 3.76Å; Y464-I511 HydrophobicContact CE1-CG2 4.5Å; Y464-F514 HydrophobicContact CD1-CE2 4.19Å; Y464-F514 HydrophobicContact CD1-CZ 4.13Å; Y464-F514 HydrophobicContact CE1-CE2 4.38Å; Y464-F514 AromaticContact CE1-CZ 3.87Å; Y464-F514 HydrophobicContact CE1-CZ 3.87Å |
| 465 | S | 97.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | trans | -62.7 | 160.5 | 170.5 | 97.6 | 0 | 0 | 0 | 0 | 111.1 | K467 A468 Q469 I511 R512 | S465-K467 PolarHBondContact O-N 2.92Å; S465-K467 PolarHBondContact OG-N 3.46Å; S465-K467 VanDerWaalsContact OG-N 3.1Å; S465-A468 WeakPolarHBondContact O-CB 3.45Å; S465-A468 PolarHBondContact O-N 3.1Å; S465-A468 VanDerWaalsContact O-N 3.08Å; S465-A468 PolarHBondContact OG-N 2.89Å; S465-A468 VanDerWaalsContact OG-N 3.13Å; S465-Q469 WeakPolarHBondContact O-CG 3.23Å; S465-Q469 PolarHBondContact O-N 2.99Å; S465-I511 WeakPolarHBondContact CB-O 3.44Å; S465-I511 PolarHBondContact N-O 3.45Å; S465-R512 WeakPolarHBondContact CB-O 3.31Å; S465-R512 PolarHBondContact OG-O 3.2Å | ||
| 466 | K | 97.6 | Very high | 96.5 | Very high | 158 Ų | 158 | 59.8 Ų | 59.8 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.7 | -35.3 | 173.7 | -171.9 | 175.7 | -177.8 | 177.2 | 0 | 112.6 | Q470 | K466-Q470 VanDerWaalsContact O-CG 3.28Å; K466-Q470 WeakPolarHBondContact O-CG 3.25Å; K466-Q470 PolarHBondContact O-N 3.44Å |
| 467 | K | 96.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 65.9 Ų | 65.9 | 47% | 0.47 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 176.6 | -177.4 | 176 | 179.5 | 179.6 | 0 | 110.5 | S465 Q469 Q470 Q471 E513 | S465-K467 PolarHBondContact O-N 2.92Å; S465-K467 PolarHBondContact OG-N 3.46Å; S465-K467 VanDerWaalsContact OG-N 3.1Å; K467-Q469 PolarHBondContact O-N 3.45Å; K467-Q470 PolarHBondContact O-N 3.37Å; K467-Q471 WeakPolarHBondContact O-CG 3.27Å; K467-Q471 PolarHBondContact O-N 3.41Å; K467-E513 HydrophobicContact CD-CB 4.02Å; K467-E513 WeakPolarHBondContact CE-OE2 3.43Å; K467-E513 HydrophobicContact CG-CB 4.36Å; K467-E513 IonicContact NZ-OE2 2.6Å; K467-E513 PolarHBondContact NZ-OE2 2.69Å |
| 468 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y464 S465 Q470 Q471 L472 I511 F514 | Y464-A468 HydrophobicContact CD1-CB 4.42Å; S465-A468 WeakPolarHBondContact O-CB 3.45Å; S465-A468 PolarHBondContact O-N 3.1Å; S465-A468 VanDerWaalsContact O-N 3.08Å; S465-A468 PolarHBondContact OG-N 2.89Å; S465-A468 VanDerWaalsContact OG-N 3.13Å; A468-Q470 VanDerWaalsContact C-N 3.34Å; A468-Q470 PolarHBondContact O-N 3.41Å; A468-Q471 PolarHBondContact O-N 2.92Å; A468-Q471 VanDerWaalsContact O-N 3.15Å; A468-L472 WeakPolarHBondContact O-CG 3.13Å; A468-L472 PolarHBondContact O-N 3.05Å; A468-I511 HydrophobicContact CB-CG2 4.29Å; A468-F514 HydrophobicContact CB-CD2 3.97Å; A468-F514 HydrophobicContact CB-CE2 3.78Å |
| 469 | Q | 97.3 | Very high | 95.8 | Very high | 112 Ų | 112 | 69.4 Ų | 69.4 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 176 | -69.5 | 174.7 | -14.4 | 0 | 0 | 112.6 | S465 K467 Q471 L472 A473 | S465-Q469 WeakPolarHBondContact O-CG 3.23Å; S465-Q469 PolarHBondContact O-N 2.99Å; K467-Q469 PolarHBondContact O-N 3.45Å; Q469-Q471 VanDerWaalsContact C-N 3.35Å; Q469-L472 PolarHBondContact O-N 3.22Å; Q469-A473 PolarHBondContact O-N 2.79Å |
| 470 | Q | 96.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.6 | -38 | 176.3 | -72.5 | 173.3 | -9.1 | 0 | 0 | 112.3 | K466 K467 A468 S474 | K466-Q470 VanDerWaalsContact O-CG 3.28Å; K466-Q470 WeakPolarHBondContact O-CG 3.25Å; K466-Q470 PolarHBondContact O-N 3.44Å; K467-Q470 PolarHBondContact O-N 3.37Å; A468-Q470 VanDerWaalsContact C-N 3.34Å; A468-Q470 PolarHBondContact O-N 3.41Å; Q470-S474 PolarHBondContact O-N 2.79Å; Q470-S474 VanDerWaalsContact O-N 3.11Å |
| 471 | Q | 95.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 177.1 | -72.4 | 173.8 | -54.4 | 0 | 0 | 111.6 | K467 A468 Q469 A473 S474 F475 F514 | K467-Q471 WeakPolarHBondContact O-CG 3.27Å; K467-Q471 PolarHBondContact O-N 3.41Å; A468-Q471 PolarHBondContact O-N 2.92Å; A468-Q471 VanDerWaalsContact O-N 3.15Å; Q469-Q471 VanDerWaalsContact C-N 3.35Å; Q471-A473 VanDerWaalsContact C-N 3.32Å; Q471-A473 PolarHBondContact O-N 2.96Å; Q471-S474 CarbonylContact O-C 3.49Å; Q471-S474 WeakPolarHBondContact O-CA 3.28Å; Q471-S474 WeakPolarHBondContact O-CB 3.36Å; Q471-S474 PolarHBondContact O-N 3.29Å; Q471-F475 HydrophobicContact CB-CE1 4.39Å; Q471-F475 HydrophobicContact CB-CE2 4.36Å; Q471-F475 HydrophobicContact CB-CZ 4.15Å; Q471-F475 WeakPolarHBondContact O-CB 3.41Å; Q471-F475 VanDerWaalsContact O-CD1 3.29Å; Q471-F475 WeakPolarHBondContact O-CD1 3.24Å; Q471-F475 WeakPolarHBondContact O-CG 3.35Å; Q471-F475 PolarHBondContact O-N 3.37Å; Q471-F514 HydrophobicContact CB-CD2 4.36Å; Q471-F514 PolarHBondContact NE2-O 3.48Å |
| 472 | L | 96.3 | Very high | 95.8 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.2 | -45.9 | 175.8 | -71.7 | 170.4 | 0 | 0 | 0 | 111.9 | L445 Y464 A468 Q469 S474 F475 K476 F514 | L445-L472 HydrophobicContact CB-CD2 3.79Å; L445-L472 HydrophobicContact CD1-CD2 3.97Å; Y464-L472 HydrophobicContact CD1-CD1 4.13Å; Y464-L472 HydrophobicContact CE1-CD1 4.3Å; A468-L472 WeakPolarHBondContact O-CG 3.13Å; A468-L472 PolarHBondContact O-N 3.05Å; Q469-L472 PolarHBondContact O-N 3.22Å; L472-S474 VanDerWaalsContact C-N 3.3Å; L472-S474 PolarHBondContact O-N 2.96Å; L472-F475 PolarHBondContact O-N 2.93Å; L472-K476 PolarHBondContact O-N 2.63Å; L472-K476 VanDerWaalsContact O-N 3.15Å; L472-F514 HydrophobicContact CD1-CE2 3.74Å; L472-F514 HydrophobicContact CD1-CZ 4.11Å; L472-F514 HydrophobicContact CD2-CD2 4.21Å; L472-F514 HydrophobicContact CD2-CE1 4.4Å; L472-F514 HydrophobicContact CD2-CE2 3.61Å; L472-F514 HydrophobicContact CD2-CZ 3.7Å; L472-F514 HydrophobicContact CG-CD2 4.1Å; L472-F514 HydrophobicContact CG-CE2 3.47Å; L472-F514 VanDerWaalsContact CG-CE2 3.47Å; L472-F514 HydrophobicContact CG-CZ 4.02Å |
| 473 | A | 94.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 60% | 0.595 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q469 Q471 | Q469-A473 PolarHBondContact O-N 2.79Å; Q471-A473 VanDerWaalsContact C-N 3.32Å; Q471-A473 PolarHBondContact O-N 2.96Å |
| 474 | S | 93 | Very high | 95.6 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | Q470 Q471 L472 K476 K477 Y478 | Q470-S474 PolarHBondContact O-N 2.79Å; Q470-S474 VanDerWaalsContact O-N 3.11Å; Q471-S474 CarbonylContact O-C 3.49Å; Q471-S474 WeakPolarHBondContact O-CA 3.28Å; Q471-S474 WeakPolarHBondContact O-CB 3.36Å; Q471-S474 PolarHBondContact O-N 3.29Å; L472-S474 VanDerWaalsContact C-N 3.3Å; L472-S474 PolarHBondContact O-N 2.96Å; S474-K476 VanDerWaalsContact C-N 3.31Å; S474-K476 PolarHBondContact O-N 2.83Å; S474-K477 VanDerWaalsContact O-CB 3.32Å; S474-K477 WeakPolarHBondContact O-CB 3.36Å; S474-K477 PolarHBondContact O-N 2.9Å; S474-Y478 VanDerWaalsContact O-CD2 3.26Å; S474-Y478 WeakPolarHBondContact O-CD2 3.18Å |
| 475 | F | 95.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -35 | -177.1 | -72.8 | 0.1 | 0 | 0 | 0 | 111.7 | L445 Q471 L472 K477 Y478 G479 W480 F514 P516 V523 | L445-F475 HydrophobicContact CD1-CD2 3.89Å; Q471-F475 HydrophobicContact CB-CE1 4.39Å; Q471-F475 HydrophobicContact CB-CE2 4.36Å; Q471-F475 HydrophobicContact CB-CZ 4.15Å; Q471-F475 WeakPolarHBondContact O-CB 3.41Å; Q471-F475 VanDerWaalsContact O-CD1 3.29Å; Q471-F475 WeakPolarHBondContact O-CD1 3.24Å; Q471-F475 WeakPolarHBondContact O-CG 3.35Å; Q471-F475 PolarHBondContact O-N 3.37Å; L472-F475 PolarHBondContact O-N 2.93Å; F475-K477 PolarHBondContact O-N 2.8Å; F475-Y478 CarbonylContact O-C 3.53Å; F475-Y478 PolarHBondContact O-N 3.48Å; F475-G479 PolarHBondContact O-N 3.26Å; F475-G479 VanDerWaalsContact O-N 3.12Å; F475-W480 HydrophobicContact CB-CB 3.97Å; F475-W480 AromaticContact CD1-CE3 3.5Å; F475-W480 HydrophobicContact CD1-CE3 3.5Å; F475-W480 AromaticContact CD1-CZ3 4Å; F475-W480 HydrophobicContact CD1-CZ3 4Å; F475-W480 AromaticContact CE1-CE3 3.79Å; F475-W480 HydrophobicContact CE1-CE3 3.79Å; F475-W480 AromaticContact CE1-CZ3 3.96Å; F475-W480 HydrophobicContact CE1-CZ3 3.96Å; F475-W480 HydrophobicContact CG-CB 4.28Å; F475-W480 HydrophobicContact CG-CE3 4.1Å; F475-W480 PolarHBondContact O-N 3.45Å; F475-F514 HydrophobicContact CE2-CB 3.57Å; F475-F514 HydrophobicContact CE2-CG 4.33Å; F475-F514 HydrophobicContact CZ-CB 4.13Å; F475-P516 HydrophobicContact CE1-CB 4.34Å; F475-P516 HydrophobicContact CE1-CG 4.23Å; F475-P516 HydrophobicContact CZ-CB 4.01Å; F475-P516 HydrophobicContact CZ-CG 4Å; F475-V523 HydrophobicContact CD2-CG1 4.3Å; F475-V523 HydrophobicContact CD2-CG2 4.46Å; F475-V523 HydrophobicContact CE2-CG1 3.74Å; F475-V523 HydrophobicContact CE2-CG2 4.4Å |
| 476 | K | 94.3 | Very high | 95.6 | Very high | 139 Ų | 139 | 61 Ų | 61 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.5 | -32.4 | 173.1 | -169.7 | 165.8 | -170.6 | 164 | 0 | 113.6 | L472 S474 Y478 G479 D481 | L472-K476 PolarHBondContact O-N 2.63Å; L472-K476 VanDerWaalsContact O-N 3.15Å; S474-K476 VanDerWaalsContact C-N 3.31Å; S474-K476 PolarHBondContact O-N 2.83Å; K476-Y478 PolarHBondContact O-N 2.98Å; K476-G479 PolarHBondContact O-N 3.41Å; K476-D481 HydrophobicContact CB-CB 4.35Å |
| 477 | K | 93.8 | Very high | 95.6 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -32.1 | 175.2 | -174.6 | -171.2 | 168 | -154.9 | 0 | 112.1 | E231 S474 F475 | E231-K477 IonicContact OE1-NZ 3.49Å; E231-K477 PolarHBondContact OE1-NZ 3.25Å; E231-K477 IonicContact OE2-NZ 2.69Å; E231-K477 PolarHBondContact OE2-NZ 2.95Å; S474-K477 VanDerWaalsContact O-CB 3.32Å; S474-K477 WeakPolarHBondContact O-CB 3.36Å; S474-K477 PolarHBondContact O-N 2.9Å; F475-K477 PolarHBondContact O-N 2.8Å |
| 478 | Y | 92.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 3.3 | -175.7 | -53.1 | -65.5 | 0 | 0 | 0 | 113.1 | E231 P232 S474 F475 K476 W480 | E231-Y478 PolarHBondContact OE2-OH 3.11Å; P232-Y478 WeakPolarHBondContact CD-OH 3.49Å; P232-Y478 HydrophobicContact CG-CD1 4.33Å; P232-Y478 HydrophobicContact CG-CE1 3.91Å; P232-Y478 HydrophobicContact CG-CE2 4.45Å; S474-Y478 VanDerWaalsContact O-CD2 3.26Å; S474-Y478 WeakPolarHBondContact O-CD2 3.18Å; F475-Y478 CarbonylContact O-C 3.53Å; F475-Y478 PolarHBondContact O-N 3.48Å; K476-Y478 PolarHBondContact O-N 2.98Å; Y478-W480 HydrophobicContact CD2-CD2 4.37Å; Y478-W480 HydrophobicContact CD2-CE3 4.31Å; Y478-W480 HydrophobicContact CD2-CH2 4.11Å; Y478-W480 HydrophobicContact CD2-CZ2 4.19Å; Y478-W480 HydrophobicContact CD2-CZ3 4.18Å; Y478-W480 HydrophobicContact CG-CD2 4.47Å; Y478-W480 HydrophobicContact CG-CH2 4.49Å; Y478-W480 HydrophobicContact CG-CZ2 4.12Å; Y478-W480 VanDerWaalsContact O-CD1 3.28Å; Y478-W480 PolarHBondContact O-N 3.07Å |
| 479 | G | 93.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 10.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F475 K476 D481 R482 | F475-G479 PolarHBondContact O-N 3.26Å; F475-G479 VanDerWaalsContact O-N 3.12Å; K476-G479 PolarHBondContact O-N 3.41Å; G479-D481 WeakPolarHBondContact CA-OD1 3.39Å; G479-D481 PolarHBondContact O-N 3.25Å; G479-R482 PolarHBondContact O-N 3Å |
| 480 | W | 95.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -73.7 | -13.8 | 179.9 | -56.9 | -11.8 | 0 | 0 | 0 | 112.3 | V223 P232 F475 Y478 R482 L483 P516 I518 | V223-W480 HydrophobicContact CG2-CH2 3.79Å; V223-W480 HydrophobicContact CG2-CZ2 3.86Å; P232-W480 HydrophobicContact CB-CH2 4.02Å; P232-W480 HydrophobicContact CB-CZ2 4.4Å; P232-W480 HydrophobicContact CG-CH2 4.26Å; P232-W480 HydrophobicContact CG-CZ2 4.34Å; F475-W480 HydrophobicContact CB-CB 3.97Å; F475-W480 AromaticContact CD1-CE3 3.5Å; F475-W480 HydrophobicContact CD1-CE3 3.5Å; F475-W480 AromaticContact CD1-CZ3 4Å; F475-W480 HydrophobicContact CD1-CZ3 4Å; F475-W480 AromaticContact CE1-CE3 3.79Å; F475-W480 HydrophobicContact CE1-CE3 3.79Å; F475-W480 AromaticContact CE1-CZ3 3.96Å; F475-W480 HydrophobicContact CE1-CZ3 3.96Å; F475-W480 HydrophobicContact CG-CB 4.28Å; F475-W480 HydrophobicContact CG-CE3 4.1Å; F475-W480 PolarHBondContact O-N 3.45Å; Y478-W480 HydrophobicContact CD2-CD2 4.37Å; Y478-W480 HydrophobicContact CD2-CE3 4.31Å; Y478-W480 HydrophobicContact CD2-CH2 4.11Å; Y478-W480 HydrophobicContact CD2-CZ2 4.19Å; Y478-W480 HydrophobicContact CD2-CZ3 4.18Å; Y478-W480 HydrophobicContact CG-CD2 4.47Å; Y478-W480 HydrophobicContact CG-CH2 4.49Å; Y478-W480 HydrophobicContact CG-CZ2 4.12Å; Y478-W480 VanDerWaalsContact O-CD1 3.28Å; Y478-W480 PolarHBondContact O-N 3.07Å; W480-R482 PolarHBondContact O-N 3.4Å; W480-L483 HydrophobicContact CB-CD1 4.14Å; W480-L483 HydrophobicContact CG-CD1 4.45Å; W480-L483 PolarHBondContact O-N 2.9Å; W480-P516 HydrophobicContact CE3-CB 4.01Å; W480-P516 HydrophobicContact CZ3-CB 4.03Å; W480-P516 HydrophobicContact CZ3-CG 4.21Å; W480-I518 HydrophobicContact CB-CD1 4.24Å; W480-I518 HydrophobicContact CD2-CD1 3.49Å; W480-I518 VanDerWaalsContact CD2-CD1 3.49Å; W480-I518 HydrophobicContact CD2-CG1 4.06Å; W480-I518 HydrophobicContact CE3-CD1 3.85Å; W480-I518 HydrophobicContact CE3-CG1 4.34Å; W480-I518 HydrophobicContact CG-CD1 3.66Å; W480-I518 HydrophobicContact CH2-CG1 4.37Å; W480-I518 HydrophobicContact CZ2-CD1 4.42Å; W480-I518 HydrophobicContact CZ2-CG1 4.06Å; W480-I518 HydrophobicContact CZ3-CD1 4.45Å; W480-I518 HydrophobicContact CZ3-CG1 4.49Å |
| 481 | D | 94.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -65.6 | -13.6 | 172.8 | 66.3 | -44.8 | 0 | 0 | 0 | 112.9 | D444 L445 K476 G479 | D444-D481 CarbonylContact C-O 3.53Å; D444-D481 VanDerWaalsContact CA-O 3.23Å; D444-D481 WeakPolarHBondContact CA-O 3.35Å; L445-D481 WeakPolarHBondContact CG-O 3.36Å; L445-D481 PolarHBondContact N-O 3.15Å; K476-D481 HydrophobicContact CB-CB 4.35Å; G479-D481 WeakPolarHBondContact CA-OD1 3.39Å; G479-D481 PolarHBondContact O-N 3.25Å |
| 482 | R | 94.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 43.8 Ų | 43.8 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -97.6 | -5.1 | 177.4 | -57.3 | -52.9 | -171.4 | 177.3 | 10.1 | 114.4 | H442 D444 K448 G479 W480 | H442-R482 PolarHBondContact O-NH1 3.09Å; D444-R482 VanDerWaalsContact N-NH1 3.16Å; K448-R482 PolarHBondContact NZ-O 3.37Å; G479-R482 PolarHBondContact O-N 3Å; W480-R482 PolarHBondContact O-N 3.4Å |
| 483 | L | 95.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -66.9 | 159.2 | 179.2 | -68.4 | 175.4 | 0 | 0 | 0 | 111.8 | L445 K448 W480 I518 V523 | L445-L483 WeakPolarHBondContact CD2-O 3.35Å; K448-L483 PolarHBondContact NZ-O 2.93Å; W480-L483 HydrophobicContact CB-CD1 4.14Å; W480-L483 HydrophobicContact CG-CD1 4.45Å; W480-L483 PolarHBondContact O-N 2.9Å; L483-I518 HydrophobicContact CD1-CD1 3.63Å; L483-V523 HydrophobicContact CB-CG2 4.3Å; L483-V523 HydrophobicContact CD1-CG2 4.14Å |
| 484 | P | 96.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | trans | -51.9 | 150 | 161.9 | -24.3 | 30.6 | 0 | 0 | 0 | 112 | I313 G521 F522 V523 | I313-P484 HydrophobicContact CG1-CB 4.26Å; P484-G521 VanDerWaalsContact CD-O 3.26Å; P484-G521 WeakPolarHBondContact CD-O 3.43Å; P484-F522 HydrophobicContact CB-CB 4.09Å; P484-F522 CarbonylContact O-C 3.57Å; P484-F522 VanDerWaalsContact O-CA 3.29Å; P484-F522 WeakPolarHBondContact O-CA 3.4Å; P484-F522 WeakPolarHBondContact O-CB 3.4Å; P484-V523 PolarHBondContact O-N 2.79Å | ||
| 485 | I | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.5 | 176.5 | -169.4 | 75.5 | 0 | 0 | 0 | 110.4 | L445 K448 V449 I452 M487 F514 V523 A525 | L445-I485 HydrophobicContact CD2-CB 4.33Å; L445-I485 HydrophobicContact CD2-CD1 3.85Å; K448-I485 HydrophobicContact CB-CB 4.35Å; K448-I485 HydrophobicContact CB-CG2 3.73Å; V449-I485 HydrophobicContact CG2-CD1 3.97Å; V449-I485 HydrophobicContact CG2-CG1 3.72Å; I452-I485 HydrophobicContact CD1-CG2 3.37Å; I485-M487 HydrophobicContact CG1-SD 4.15Å; I485-F514 HydrophobicContact CD1-CD1 4.18Å; I485-F514 HydrophobicContact CD1-CE1 3.94Å; I485-V523 CarbonylContact C-O 3.42Å; I485-V523 WeakPolarHBondContact CA-O 3.42Å; I485-V523 HydrophobicContact CD1-CB 4.29Å; I485-V523 HydrophobicContact CD1-CG1 4.36Å; I485-V523 VanDerWaalsContact CD1-O 3.25Å; I485-V523 WeakPolarHBondContact CD1-O 3.5Å; I485-A525 HydrophobicContact CD1-CB 3.85Å; I485-A525 HydrophobicContact CG1-CB 4.18Å |
| 486 | C | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 104.5 | 173 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | N274 A276 K309 I313 A488 F522 V523 V524 A525 | N274-C486 PolarHBondContact O-SG 3.42Å; A276-C486 PolarHBondContact O-SG 3.25Å; A276-C486 VanDerWaalsContact O-SG 3.41Å; K309-C486 PolarHBondContact NZ-SG 2.87Å; I313-C486 HydrophobicContact CD1-CB 3.82Å; C486-A488 PolarHBondContact O-N 3.34Å; C486-F522 HydrophobicContact CB-CD2 3.65Å; C486-F522 HydrophobicContact CB-CE2 3.99Å; C486-F522 HydrophobicContact CB-CG 4.31Å; C486-V523 PolarHBondContact N-O 3.36Å; C486-V524 HydrophobicContact CB-CG2 4.29Å; C486-V524 CarbonylContact O-C 3.59Å; C486-V524 VanDerWaalsContact O-CA 3.28Å; C486-V524 WeakPolarHBondContact O-CA 3.35Å; C486-A525 PolarHBondContact O-N 3.44Å |
| 487 | M | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.3 | 179.9 | -65.1 | -60.1 | -73.5 | 0 | 0 | 111.6 | L305 K309 V449 I452 V453 Y457 I485 I511 A525 T527 | L305-M487 HydrophobicContact CD2-CB 4.45Å; L305-M487 WeakPolarHBondContact CD2-O 3.28Å; K309-M487 VanDerWaalsContact CE-O 3.29Å; K309-M487 WeakPolarHBondContact CE-O 3.46Å; K309-M487 PolarHBondContact NZ-O 3.01Å; V449-M487 HydrophobicContact CB-SD 4.44Å; V449-M487 HydrophobicContact CG1-CE 3.92Å; V449-M487 HydrophobicContact CG1-SD 4.1Å; V449-M487 HydrophobicContact CG2-SD 3.93Å; I452-M487 HydrophobicContact CD1-CG 3.93Å; I452-M487 HydrophobicContact CG2-CG 4.02Å; V453-M487 HydrophobicContact CG2-CE 4.24Å; Y457-M487 HydrophobicContact CE2-CE 3.98Å; Y457-M487 HydrophobicContact CE2-CG 4.39Å; Y457-M487 WeakPolarHBondContact OH-CB 3.29Å; Y457-M487 WeakPolarHBondContact OH-CG 3.36Å; I485-M487 HydrophobicContact CG1-SD 4.15Å; M487-I511 HydrophobicContact CE-CD1 3.89Å; M487-A525 HydrophobicContact SD-CB 3.73Å; M487-T527 HydrophobicContact CE-CG2 4.45Å |
| 488 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 87 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N274 I275 C486 V524 A525 L526 T527 V530 | N274-A488 WeakPolarHBondContact O-CB 3.33Å; I275-A488 HydrophobicContact CG2-CB 4.18Å; C486-A488 PolarHBondContact O-N 3.34Å; A488-V524 HydrophobicContact CB-CG1 3.55Å; A488-A525 PolarHBondContact N-O 3.06Å; A488-L526 HydrophobicContact CB-CD2 3.64Å; A488-T527 PolarHBondContact O-N 3.27Å; A488-T527 PolarHBondContact O-OG1 3.1Å; A488-V530 HydrophobicContact CB-CG2 4.23Å |
| 489 | K | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | trans | -123.6 | 177.2 | 175.6 | 66.5 | 164.1 | -168.4 | 71.4 | 0 | 111.7 | D304 L305 Y457 S493 L494 T527 | D304-K489 IonicContact OD2-NZ 2.72Å; D304-K489 PolarHBondContact OD2-NZ 2.85Å; L305-K489 HydrophobicContact CD1-CG 4.44Å; L305-K489 HydrophobicContact CD2-CG 4.01Å; Y457-K489 HydrophobicContact CD2-CD 4.39Å; Y457-K489 HydrophobicContact CE1-CD 4.4Å; Y457-K489 VanDerWaalsContact CE1-CE 3.46Å; Y457-K489 HydrophobicContact CE2-CD 3.99Å; K489-S493 PolarHBondContact NZ-O 3.16Å; K489-L494 VanDerWaalsContact CE-O 3.27Å; K489-L494 WeakPolarHBondContact CE-O 3.12Å; K489-T527 WeakPolarHBondContact CA-OG1 3.28Å; K489-T527 HydrophobicContact CB-CG2 3.87Å; K489-T527 VanDerWaalsContact CB-OG1 3.27Å; K489-T527 WeakPolarHBondContact CB-OG1 3.23Å | ||
| 490 | T | 95.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | trans | -57.8 | 139.5 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | Y492 S495 P498 | T490-Y492 WeakPolarHBondContact OG1-CD2 3.37Å; T490-Y492 PolarHBondContact OG1-N 3.02Å; T490-S495 WeakPolarHBondContact CG2-O 3.45Å; T490-P498 HydrophobicContact CG2-CB 4.26Å | ||
| 491 | Q | 95.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -79.7 | -19.1 | 173.9 | 66.1 | -83.9 | 17.4 | 0 | 0 | 113.1 | N63 P64 F301 L305 S493 | N63-Q491 PolarHBondContact ND2-O 2.85Å; P64-Q491 HydrophobicContact CB-CG 4.49Å; P64-Q491 VanDerWaalsContact CD-O 3.29Å; P64-Q491 WeakPolarHBondContact CD-O 3.49Å; P64-Q491 HydrophobicContact CG-CB 4.32Å; P64-Q491 HydrophobicContact CG-CG 4.17Å; F301-Q491 HydrophobicContact CB-CB 3.92Å; F301-Q491 HydrophobicContact CD1-CB 3.53Å; F301-Q491 HydrophobicContact CD1-CG 3.67Å; F301-Q491 HydrophobicContact CD2-CB 3.89Å; F301-Q491 HydrophobicContact CE1-CB 3.93Å; F301-Q491 HydrophobicContact CE1-CG 3.74Å; F301-Q491 HydrophobicContact CE2-CB 4.24Å; F301-Q491 HydrophobicContact CG-CB 3.53Å; F301-Q491 HydrophobicContact CG-CG 4.21Å; F301-Q491 HydrophobicContact CZ-CB 4.27Å; F301-Q491 HydrophobicContact CZ-CG 4.31Å; L305-Q491 HydrophobicContact CD1-CB 4.14Å; Q491-S493 VanDerWaalsContact C-N 3.33Å; Q491-S493 PolarHBondContact O-N 2.86Å |
| 492 | Y | 95.9 | Very high | 96.3 | Very high | 105 Ų | 105 | 36.7 Ų | 36.7 | 41% | 0.412 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -78.6 | -14.2 | -169 | -58.3 | -61.3 | 0 | 0 | 0 | 114.6 | P64 T490 P498 | P64-Y492 WeakPolarHBondContact O-CD1 3.43Å; T490-Y492 WeakPolarHBondContact OG1-CD2 3.37Å; T490-Y492 PolarHBondContact OG1-N 3.02Å; Y492-P498 HydrophobicContact CD2-CB 4.15Å |
| 493 | S | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -140.2 | 153.9 | -176.6 | 169.5 | 0 | 0 | 0 | 0 | 109.1 | K489 Q491 S495 D497 K500 | K489-S493 PolarHBondContact NZ-O 3.16Å; Q491-S493 VanDerWaalsContact C-N 3.33Å; Q491-S493 PolarHBondContact O-N 2.86Å; S493-S495 VanDerWaalsContact C-N 3.26Å; S493-S495 PolarHBondContact OG-N 3.42Å; S493-S495 PolarHBondContact OG-OG 3.33Å; S493-D497 WeakPolarHBondContact CB-O 3.41Å; S493-D497 PolarHBondContact OG-O 2.88Å; S493-D497 VanDerWaalsContact OG-O 3.1Å; S493-K500 WeakPolarHBondContact CB-O 3.39Å; S493-K500 PolarHBondContact OG-O 2.93Å |
| 494 | L | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -67 | -29.4 | 167 | -75.2 | 158 | 0 | 0 | 0 | 111.7 | D304 K362 Y457 K489 A503 P504 | D304-L494 HydrophobicContact CB-CD2 3.72Å; K362-L494 HydrophobicContact CB-CD1 4.19Å; K362-L494 HydrophobicContact CG-CD1 3.68Å; K362-L494 HydrophobicContact CG-CD2 4.39Å; Y457-L494 WeakPolarHBondContact CB-O 3.29Å; K489-L494 VanDerWaalsContact CE-O 3.27Å; K489-L494 WeakPolarHBondContact CE-O 3.12Å; L494-A503 HydrophobicContact CD1-CB 4.24Å; L494-P504 HydrophobicContact CB-CG 4.32Å |
| 495 | S | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -79.7 | 179.6 | 171.1 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | T490 S493 D497 F507 | T490-S495 WeakPolarHBondContact CG2-O 3.45Å; S493-S495 VanDerWaalsContact C-N 3.26Å; S493-S495 PolarHBondContact OG-N 3.42Å; S493-S495 PolarHBondContact OG-OG 3.33Å; S495-D497 VanDerWaalsContact C-N 3.26Å; S495-D497 PolarHBondContact OG-N 3.14Å; S495-D497 VanDerWaalsContact OG-N 3.11Å; S495-D497 PolarHBondContact OG-O 3.11Å; S495-F507 VanDerWaalsContact CA-CE2 3.44Å; S495-F507 VanDerWaalsContact CB-CE2 3.46Å |
| 496 | D | 95 | Very high | 96.3 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82 | 0.8 | 169.7 | 59.9 | -0.5 | 0 | 0 | 0 | 113.8 | V509 T510 T527 | D496-V509 HydrophobicContact CB-CG1 4.46Å; D496-V509 WeakPolarHBondContact OD2-CA 3.5Å; D496-T510 PolarHBondContact OD2-N 2.92Å; D496-T527 HydrophobicContact CB-CG2 4.39Å |
| 497 | D | 95.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | trans | -103.5 | 112.8 | 175.7 | 179.7 | -11.1 | 0 | 0 | 0 | 110.8 | S493 S495 S499 K500 | S493-D497 WeakPolarHBondContact CB-O 3.41Å; S493-D497 PolarHBondContact OG-O 2.88Å; S493-D497 VanDerWaalsContact OG-O 3.1Å; S495-D497 VanDerWaalsContact C-N 3.26Å; S495-D497 PolarHBondContact OG-N 3.14Å; S495-D497 VanDerWaalsContact OG-N 3.11Å; S495-D497 PolarHBondContact OG-O 3.11Å; D497-S499 VanDerWaalsContact CG-OG 3.27Å; D497-S499 PolarHBondContact O-N 3.3Å; D497-S499 VanDerWaalsContact O-N 3.11Å; D497-S499 WeakPolarHBondContact OD1-CB 3.36Å; D497-S499 PolarHBondContact OD1-N 3.12Å; D497-S499 PolarHBondContact OD1-OG 3.36Å; D497-S499 PolarHBondContact OD2-OG 2.75Å; D497-K500 HydrophobicContact CB-CD 4.17Å; D497-K500 HydrophobicContact CB-CG 4.12Å; D497-K500 PolarHBondContact O-N 2.87Å | ||
| 498 | P | 94.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.7 | -176.2 | 28.1 | -36 | 0 | 0 | 0 | 114.2 | T490 Y492 | T490-P498 HydrophobicContact CG2-CB 4.26Å; Y492-P498 HydrophobicContact CD2-CB 4.15Å |
| 499 | S | 94.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -17.7 | -179.9 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | D497 L501 | D497-S499 VanDerWaalsContact CG-OG 3.27Å; D497-S499 PolarHBondContact O-N 3.3Å; D497-S499 VanDerWaalsContact O-N 3.11Å; D497-S499 WeakPolarHBondContact OD1-CB 3.36Å; D497-S499 PolarHBondContact OD1-N 3.12Å; D497-S499 PolarHBondContact OD1-OG 3.36Å; D497-S499 PolarHBondContact OD2-OG 2.75Å; S499-L501 PolarHBondContact O-N 2.86Å; S499-L501 VanDerWaalsContact O-N 3.14Å |
| 500 | K | 96.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | trans | -85.6 | 81.8 | -176.9 | -67.2 | -171.8 | -179.2 | -178.1 | 0 | 111.7 | S493 D497 P504 | S493-K500 WeakPolarHBondContact CB-O 3.39Å; S493-K500 PolarHBondContact OG-O 2.93Å; D497-K500 HydrophobicContact CB-CD 4.17Å; D497-K500 HydrophobicContact CB-CG 4.12Å; D497-K500 PolarHBondContact O-N 2.87Å; K500-P504 HydrophobicContact CB-CB 4.07Å; K500-P504 HydrophobicContact CB-CG 4.22Å; K500-P504 HydrophobicContact CD-CB 4.4Å | ||
| 501 | L | 96.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 37% | 0.372 | 26% | 0.256 | S | S | . | . | trans | -75.6 | 169.7 | 179 | -57 | -177.7 | 0 | 0 | 0 | 112.9 | M336 S499 | M336-L501 WeakPolarHBondContact O-CD1 3.26Å; S499-L501 PolarHBondContact O-N 2.86Å; S499-L501 VanDerWaalsContact O-N 3.14Å | ||
| 502 | G | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 83.9 | -140.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H337 N359 P504 | H337-G502 PolarHBondContact ND1-N 2.83Å; N359-G502 PolarHBondContact ND2-O 2.92Å; G502-P504 WeakPolarHBondContact O-CD 3.32Å |
| 503 | A | 97.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -112 | 82.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S358 K362 L494 | S358-A503 WeakPolarHBondContact O-CB 3.48Å; S358-A503 PolarHBondContact OG-N 3.22Å; K362-A503 HydrophobicContact CB-CB 4.14Å; L494-A503 HydrophobicContact CD1-CB 4.24Å |
| 504 | P | 97.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -58.8 | 147.6 | -178.9 | 25.4 | -34.3 | 0 | 0 | 0 | 111.1 | L494 K500 G502 F507 | L494-P504 HydrophobicContact CB-CG 4.32Å; K500-P504 HydrophobicContact CB-CB 4.07Å; K500-P504 HydrophobicContact CB-CG 4.22Å; K500-P504 HydrophobicContact CD-CB 4.4Å; G502-P504 WeakPolarHBondContact O-CD 3.32Å; P504-F507 HydrophobicContact CB-CD1 4.07Å; P504-F507 HydrophobicContact CB-CE1 4.28Å; P504-F507 HydrophobicContact CG-CD1 4.19Å; P504-F507 HydrophobicContact CG-CE1 3.96Å; P504-F507 WeakPolarHBondContact O-CE1 3.4Å | ||
| 505 | I | 94.4 | Very high | 96.3 | Very high | 131 Ų | 131 | 50.6 Ų | 50.6 | 67% | 0.672 | 28% | 0.275 | S | S | * | . | trans | -116.8 | 166 | 174.1 | 61.8 | 173.5 | 0 | 0 | 0 | 109.3 | F507 | I505-F507 PolarHBondContact O-N 3.23Š| ||
| 506 | D | 93.7 | Very high | 96.2 | Very high | 122 Ų | 122 | 51.2 Ų | 51.2 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 52.8 | 53.1 | 173.7 | -57.9 | -39.3 | 0 | 0 | 0 | 113.9 | ||
| 507 | F | 97.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -128.7 | 148.9 | 173.9 | 70.7 | -89.2 | 0 | 0 | 0 | 111.4 | G459 N460 S495 P504 I505 V509 | G459-F507 CarbonylContact C-O 3.55Å; G459-F507 WeakPolarHBondContact CA-O 3.18Å; N460-F507 PolarHBondContact N-O 3.1Å; S495-F507 VanDerWaalsContact CA-CE2 3.44Å; S495-F507 VanDerWaalsContact CB-CE2 3.46Å; P504-F507 HydrophobicContact CB-CD1 4.07Å; P504-F507 HydrophobicContact CB-CE1 4.28Å; P504-F507 HydrophobicContact CG-CD1 4.19Å; P504-F507 HydrophobicContact CG-CE1 3.96Å; P504-F507 WeakPolarHBondContact O-CE1 3.4Å; I505-F507 PolarHBondContact O-N 3.23Å; F507-V509 HydrophobicContact CD2-CG2 4.15Å; F507-V509 HydrophobicContact CE2-CG2 3.85Å | ||
| 508 | D | 97.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | trans | -102.5 | 159.4 | 172 | -55.8 | -39.5 | 0 | 0 | 0 | 109.6 | E461 I463 | E461-D508 PolarHBondContact N-OD1 3.11Å; E461-D508 VanDerWaalsContact N-OD1 3.07Å; E461-D508 WeakPolarHBondContact O-CA 3.42Å; E461-D508 WeakPolarHBondContact O-CB 3.29Å; I463-D508 HydrophobicContact CD1-CB 4.06Å; I463-D508 HydrophobicContact CG1-CB 4.46Å | ||
| 509 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.8 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | V453 E461 V462 I463 D496 F507 I511 T527 | V453-V509 HydrophobicContact CG1-CB 4.21Å; V453-V509 HydrophobicContact CG1-CG2 3.85Å; V453-V509 HydrophobicContact CG2-CB 3.94Å; V453-V509 HydrophobicContact CG2-CG1 4.25Å; V453-V509 HydrophobicContact CG2-CG2 3.97Å; E461-V509 PolarHBondContact O-N 2.87Å; V462-V509 CarbonylContact C-O 3.41Å; V462-V509 WeakPolarHBondContact CA-O 3.46Å; I463-V509 PolarHBondContact N-O 2.85Å; D496-V509 HydrophobicContact CB-CG1 4.46Å; D496-V509 WeakPolarHBondContact OD2-CA 3.5Å; F507-V509 HydrophobicContact CD2-CG2 4.15Å; F507-V509 HydrophobicContact CE2-CG2 3.85Å; V509-I511 HydrophobicContact CG1-CD1 4.14Å; V509-T527 HydrophobicContact CG1-CG2 3.61Å |
| 510 | T | 97.7 | Very high | 96.7 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | I463 D496 T527 | I463-T510 CarbonylContact O-C 3.58Å; I463-T510 WeakPolarHBondContact O-CA 3.44Å; D496-T510 PolarHBondContact OD2-N 2.92Å; T510-T527 WeakPolarHBondContact O-CA 3.46Å; T510-T527 WeakPolarHBondContact O-CB 3.44Å |
| 511 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 107.7 | 172.6 | -48.4 | -63.3 | 0 | 0 | 0 | 109.1 | V449 V462 I463 Y464 S465 A468 M487 V509 F514 A525 T527 | V449-I511 HydrophobicContact CG1-CD1 3.85Å; V449-I511 HydrophobicContact CG1-CG1 4.09Å; V462-I511 HydrophobicContact CG1-CD1 4.2Å; V462-I511 HydrophobicContact CG1-CG1 3.5Å; I463-I511 PolarHBondContact O-N 2.97Å; Y464-I511 HydrophobicContact CD1-CB 3.79Å; Y464-I511 HydrophobicContact CD1-CG1 3.96Å; Y464-I511 HydrophobicContact CD1-CG2 4.28Å; Y464-I511 HydrophobicContact CE1-CB 4.09Å; Y464-I511 HydrophobicContact CE1-CG1 3.76Å; Y464-I511 HydrophobicContact CE1-CG2 4.5Å; S465-I511 WeakPolarHBondContact CB-O 3.44Å; S465-I511 PolarHBondContact N-O 3.45Å; A468-I511 HydrophobicContact CB-CG2 4.29Å; M487-I511 HydrophobicContact CE-CD1 3.89Å; V509-I511 HydrophobicContact CG1-CD1 4.14Å; I511-F514 HydrophobicContact CG2-CD2 4.45Å; I511-F514 HydrophobicContact CG2-CE1 4.08Å; I511-F514 HydrophobicContact CG2-CE2 3.96Å; I511-F514 HydrophobicContact CG2-CZ 3.78Å; I511-A525 HydrophobicContact CD1-CB 4.14Å; I511-A525 HydrophobicContact CG2-CB 4.19Å; I511-T527 HydrophobicContact CD1-CG2 4.1Å |
| 512 | R | 97.2 | Very high | 96.8 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 45% | 0.449 | 19% | 0.192 | S | C | . | . | trans | -74.9 | -44.2 | -178.8 | -76.4 | -172.7 | 60.5 | -173.9 | -12.4 | 112.2 | S465 L526 T527 D529 | S465-R512 WeakPolarHBondContact CB-O 3.31Å; S465-R512 PolarHBondContact OG-O 3.2Å; R512-L526 PolarHBondContact N-O 2.75Å; R512-T527 WeakPolarHBondContact CG-O 3.49Å; R512-D529 IonicContact CZ-OD1 3.46Å; R512-D529 IonicContact NH1-OD1 2.73Å; R512-D529 PolarHBondContact NH1-OD1 3.41Å; R512-D529 IonicContact NH1-OD2 3.5Å; R512-D529 PolarHBondContact NH1-OD2 3.28Å; R512-D529 IonicContact NH2-OD1 3.55Å | ||
| 513 | E | 96.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 165.5 | 179.3 | 68.3 | -175.4 | -171.3 | 0 | 0 | 110.6 | K467 L526 | K467-E513 HydrophobicContact CD-CB 4.02Å; K467-E513 WeakPolarHBondContact CE-OE2 3.43Å; K467-E513 HydrophobicContact CG-CB 4.36Å; K467-E513 IonicContact NZ-OE2 2.6Å; K467-E513 PolarHBondContact NZ-OE2 2.69Å; E513-L526 HydrophobicContact CG-CB 4.07Å; E513-L526 HydrophobicContact CG-CD1 3.64Å; E513-L526 HydrophobicContact CG-CG 4.37Å; E513-L526 PolarHBondContact O-N 3.01Å; E513-L526 VanDerWaalsContact OE1-CD1 3.29Å; E513-L526 WeakPolarHBondContact OE1-CD1 3.18Å |
| 514 | F | 96.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.6 | 169.8 | -63.8 | -85.5 | 0 | 0 | 0 | 111.2 | V449 Y464 A468 Q471 L472 F475 I485 I511 V523 V524 A525 | V449-F514 HydrophobicContact CG2-CE1 4.35Å; Y464-F514 HydrophobicContact CD1-CE2 4.19Å; Y464-F514 HydrophobicContact CD1-CZ 4.13Å; Y464-F514 HydrophobicContact CE1-CE2 4.38Å; Y464-F514 AromaticContact CE1-CZ 3.87Å; Y464-F514 HydrophobicContact CE1-CZ 3.87Å; A468-F514 HydrophobicContact CB-CD2 3.97Å; A468-F514 HydrophobicContact CB-CE2 3.78Å; Q471-F514 HydrophobicContact CB-CD2 4.36Å; Q471-F514 PolarHBondContact NE2-O 3.48Å; L472-F514 HydrophobicContact CD1-CE2 3.74Å; L472-F514 HydrophobicContact CD1-CZ 4.11Å; L472-F514 HydrophobicContact CD2-CD2 4.21Å; L472-F514 HydrophobicContact CD2-CE1 4.4Å; L472-F514 HydrophobicContact CD2-CE2 3.61Å; L472-F514 HydrophobicContact CD2-CZ 3.7Å; L472-F514 HydrophobicContact CG-CD2 4.1Å; L472-F514 HydrophobicContact CG-CE2 3.47Å; L472-F514 VanDerWaalsContact CG-CE2 3.47Å; L472-F514 HydrophobicContact CG-CZ 4.02Å; F475-F514 HydrophobicContact CE2-CB 3.57Å; F475-F514 HydrophobicContact CE2-CG 4.33Å; F475-F514 HydrophobicContact CZ-CB 4.13Å; I485-F514 HydrophobicContact CD1-CD1 4.18Å; I485-F514 HydrophobicContact CD1-CE1 3.94Å; I511-F514 HydrophobicContact CG2-CD2 4.45Å; I511-F514 HydrophobicContact CG2-CE1 4.08Å; I511-F514 HydrophobicContact CG2-CE2 3.96Å; I511-F514 HydrophobicContact CG2-CZ 3.78Å; F514-V523 HydrophobicContact CB-CG1 3.8Å; F514-V523 HydrophobicContact CD1-CG1 3.75Å; F514-V523 HydrophobicContact CG-CG1 4.17Å; F514-V524 CarbonylContact C-O 3.5Å; F514-V524 WeakPolarHBondContact CA-O 3.2Å; F514-A525 HydrophobicContact CD1-CB 3.93Å; F514-A525 HydrophobicContact CE1-CB 3.74Å |
| 515 | V | 94.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.2 | 172.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | K517 V524 L526 | V515-K517 PolarHBondContact O-N 3.26Å; V515-V524 HydrophobicContact CB-CB 4.18Å; V515-V524 PolarHBondContact N-O 3.15Å; V515-V524 PolarHBondContact O-N 2.78Å; V515-L526 HydrophobicContact CG2-CD1 3.56Å; V515-L526 HydrophobicContact CG2-CG 4.34Å |
| 516 | P | 94.5 | Very high | 97 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.9 | 178.9 | 30.4 | -30.1 | 0 | 0 | 0 | 109.5 | F475 W480 I518 | F475-P516 HydrophobicContact CE1-CB 4.34Å; F475-P516 HydrophobicContact CE1-CG 4.23Å; F475-P516 HydrophobicContact CZ-CB 4.01Å; F475-P516 HydrophobicContact CZ-CG 4Å; W480-P516 HydrophobicContact CE3-CB 4.01Å; W480-P516 HydrophobicContact CZ3-CB 4.03Å; W480-P516 HydrophobicContact CZ3-CG 4.21Å; P516-I518 HydrophobicContact CB-CD1 3.62Å; P516-I518 HydrophobicContact CB-CG1 3.9Å |
| 517 | K | 97 | Very high | 97.1 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 14% | 0.135 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 64.8 | 172.7 | -65.5 | -68.3 | -174.3 | 176 | 0 | 108 | E201 V515 G519 A520 G521 F522 V524 | E201-K517 HydrophobicContact CB-CD 3.9Å; E201-K517 HydrophobicContact CG-CB 4.27Å; E201-K517 HydrophobicContact CG-CD 3.82Å; E201-K517 VanDerWaalsContact OE1-CA 3.26Å; E201-K517 WeakPolarHBondContact OE1-CA 3.4Å; E201-K517 WeakPolarHBondContact OE2-CD 3.29Å; V515-K517 PolarHBondContact O-N 3.26Å; K517-G519 VanDerWaalsContact C-N 3.34Å; K517-G519 PolarHBondContact O-N 2.94Å; K517-A520 HydrophobicContact CB-CB 4.16Å; K517-A520 CarbonylContact O-C 3.47Å; K517-A520 PolarHBondContact O-N 3.41Å; K517-A520 VanDerWaalsContact O-N 3.15Å; K517-G521 PolarHBondContact O-N 3.06Å; K517-F522 CarbonylContact C-O 3.57Å; K517-F522 WeakPolarHBondContact CA-O 3.11Å; K517-F522 HydrophobicContact CB-CD2 3.97Å; K517-F522 HydrophobicContact CB-CE2 3.71Å; K517-F522 HydrophobicContact CB-CZ 4.24Å; K517-F522 HydrophobicContact CG-CD2 4.47Å; K517-F522 HydrophobicContact CG-CE2 3.91Å; K517-F522 PolarHBondContact N-O 3.22Å; K517-F522 PolarHBondContact O-N 3.37Å; K517-F522 VanDerWaalsContact O-O 3.11Å; K517-V524 HydrophobicContact CG-CG2 3.82Å |
| 518 | I | 97.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 12% | 0.123 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -35 | -165.7 | -52.7 | -53.3 | 0 | 0 | 0 | 112.2 | E201 N221 V223 W480 L483 P516 A520 G521 | E201-I518 PolarHBondContact OE1-N 3.39Å; E201-I518 VanDerWaalsContact OE1-N 3.1Å; N221-I518 HydrophobicContact CB-CG2 4.42Å; V223-I518 HydrophobicContact CG2-CB 4.29Å; V223-I518 HydrophobicContact CG2-CG1 3.89Å; W480-I518 HydrophobicContact CB-CD1 4.24Å; W480-I518 HydrophobicContact CD2-CD1 3.49Å; W480-I518 VanDerWaalsContact CD2-CD1 3.49Å; W480-I518 HydrophobicContact CD2-CG1 4.06Å; W480-I518 HydrophobicContact CE3-CD1 3.85Å; W480-I518 HydrophobicContact CE3-CG1 4.34Å; W480-I518 HydrophobicContact CG-CD1 3.66Å; W480-I518 HydrophobicContact CH2-CG1 4.37Å; W480-I518 HydrophobicContact CZ2-CD1 4.42Å; W480-I518 HydrophobicContact CZ2-CG1 4.06Å; W480-I518 HydrophobicContact CZ3-CD1 4.45Å; W480-I518 HydrophobicContact CZ3-CG1 4.49Å; L483-I518 HydrophobicContact CD1-CD1 3.63Å; P516-I518 HydrophobicContact CB-CD1 3.62Å; P516-I518 HydrophobicContact CB-CG1 3.9Å; I518-A520 VanDerWaalsContact C-N 3.35Å; I518-G521 PolarHBondContact O-N 3.19Å; I518-G521 VanDerWaalsContact O-N 3.13Å |
| 519 | G | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E201 I205 R218 K517 G521 | E201-G519 WeakPolarHBondContact OE1-CA 3.32Å; E201-G519 PolarHBondContact OE1-N 3.5Å; I205-G519 VanDerWaalsContact CG1-C 3.44Å; R218-G519 VanDerWaalsContact CB-O 3.24Å; R218-G519 WeakPolarHBondContact CB-O 3.32Å; R218-G519 WeakPolarHBondContact CG-O 3.38Å; R218-G519 WeakPolarHBondContact O-CA 3.41Å; K517-G519 VanDerWaalsContact C-N 3.34Å; K517-G519 PolarHBondContact O-N 2.94Å; G519-G521 PolarHBondContact O-N 3.43Å |
| 520 | A | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E201 A204 I205 L208 R218 K517 I518 F522 | E201-A520 HydrophobicContact CG-CB 4.12Å; E201-A520 PolarHBondContact OE1-N 2.85Å; A204-A520 HydrophobicContact CB-CB 3.8Å; I205-A520 HydrophobicContact CG1-CB 4.14Å; L208-A520 HydrophobicContact CD1-CB 4.46Å; L208-A520 VanDerWaalsContact CD1-O 3.28Å; L208-A520 WeakPolarHBondContact CD1-O 3.5Å; R218-A520 PolarHBondContact NH1-O 3.11Å; K517-A520 HydrophobicContact CB-CB 4.16Å; K517-A520 CarbonylContact O-C 3.47Å; K517-A520 PolarHBondContact O-N 3.41Å; K517-A520 VanDerWaalsContact O-N 3.15Å; I518-A520 VanDerWaalsContact C-N 3.35Å; A520-F522 HydrophobicContact CB-CD1 3.92Å; A520-F522 HydrophobicContact CB-CE1 3.4Å; A520-F522 VanDerWaalsContact CB-CE1 3.4Å; A520-F522 HydrophobicContact CB-CZ 3.77Å |
| 521 | G | 97.2 | Very high | 95 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P484 K517 I518 G519 | P484-G521 VanDerWaalsContact CD-O 3.26Å; P484-G521 WeakPolarHBondContact CD-O 3.43Å; K517-G521 PolarHBondContact O-N 3.06Å; I518-G521 PolarHBondContact O-N 3.19Å; I518-G521 VanDerWaalsContact O-N 3.13Å; G519-G521 PolarHBondContact O-N 3.43Å |
| 522 | F | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 166.7 | 174.2 | 57.5 | -103.1 | 0 | 0 | 0 | 112.4 | A204 L208 A276 I313 P484 C486 K517 A520 V524 | A204-F522 HydrophobicContact CB-CE1 4.31Å; A204-F522 HydrophobicContact CB-CZ 4.1Å; L208-F522 HydrophobicContact CD1-CD1 4.11Å; L208-F522 HydrophobicContact CD1-CE1 3.83Å; A276-F522 HydrophobicContact CB-CZ 4.02Å; I313-F522 HydrophobicContact CG2-CD1 3.84Å; I313-F522 HydrophobicContact CG2-CE1 4.41Å; P484-F522 HydrophobicContact CB-CB 4.09Å; P484-F522 CarbonylContact O-C 3.57Å; P484-F522 VanDerWaalsContact O-CA 3.29Å; P484-F522 WeakPolarHBondContact O-CA 3.4Å; P484-F522 WeakPolarHBondContact O-CB 3.4Å; C486-F522 HydrophobicContact CB-CD2 3.65Å; C486-F522 HydrophobicContact CB-CE2 3.99Å; C486-F522 HydrophobicContact CB-CG 4.31Å; K517-F522 CarbonylContact C-O 3.57Å; K517-F522 WeakPolarHBondContact CA-O 3.11Å; K517-F522 HydrophobicContact CB-CD2 3.97Å; K517-F522 HydrophobicContact CB-CE2 3.71Å; K517-F522 HydrophobicContact CB-CZ 4.24Å; K517-F522 HydrophobicContact CG-CD2 4.47Å; K517-F522 HydrophobicContact CG-CE2 3.91Å; K517-F522 PolarHBondContact N-O 3.22Å; K517-F522 PolarHBondContact O-N 3.37Å; K517-F522 VanDerWaalsContact O-O 3.11Å; A520-F522 HydrophobicContact CB-CD1 3.92Å; A520-F522 HydrophobicContact CB-CE1 3.4Å; A520-F522 VanDerWaalsContact CB-CE1 3.4Å; A520-F522 HydrophobicContact CB-CZ 3.77Å; F522-V524 HydrophobicContact CD2-CG2 4.04Å; F522-V524 HydrophobicContact CE2-CG2 3.74Å |
| 523 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.7 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | L445 F475 L483 P484 I485 C486 F514 | L445-V523 HydrophobicContact CD1-CB 4.08Å; L445-V523 HydrophobicContact CD1-CG1 4.02Å; L445-V523 HydrophobicContact CD1-CG2 4.01Å; L445-V523 HydrophobicContact CD2-CB 3.99Å; L445-V523 HydrophobicContact CD2-CG2 4.26Å; F475-V523 HydrophobicContact CD2-CG1 4.3Å; F475-V523 HydrophobicContact CD2-CG2 4.46Å; F475-V523 HydrophobicContact CE2-CG1 3.74Å; F475-V523 HydrophobicContact CE2-CG2 4.4Å; L483-V523 HydrophobicContact CB-CG2 4.3Å; L483-V523 HydrophobicContact CD1-CG2 4.14Å; P484-V523 PolarHBondContact O-N 2.79Å; I485-V523 CarbonylContact C-O 3.42Å; I485-V523 WeakPolarHBondContact CA-O 3.42Å; I485-V523 HydrophobicContact CD1-CB 4.29Å; I485-V523 HydrophobicContact CD1-CG1 4.36Å; I485-V523 VanDerWaalsContact CD1-O 3.25Å; I485-V523 WeakPolarHBondContact CD1-O 3.5Å; C486-V523 PolarHBondContact N-O 3.36Å; F514-V523 HydrophobicContact CB-CG1 3.8Å; F514-V523 HydrophobicContact CD1-CG1 3.75Å; F514-V523 HydrophobicContact CG-CG1 4.17Å |
| 524 | V | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.4 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | I275 C486 A488 F514 V515 K517 F522 L526 | I275-V524 HydrophobicContact CB-CG1 4.35Å; I275-V524 HydrophobicContact CG2-CG1 4.26Å; I275-V524 WeakPolarHBondContact O-CG2 3.33Å; C486-V524 HydrophobicContact CB-CG2 4.29Å; C486-V524 CarbonylContact O-C 3.59Å; C486-V524 VanDerWaalsContact O-CA 3.28Å; C486-V524 WeakPolarHBondContact O-CA 3.35Å; A488-V524 HydrophobicContact CB-CG1 3.55Å; F514-V524 CarbonylContact C-O 3.5Å; F514-V524 WeakPolarHBondContact CA-O 3.2Å; V515-V524 HydrophobicContact CB-CB 4.18Å; V515-V524 PolarHBondContact N-O 3.15Å; V515-V524 PolarHBondContact O-N 2.78Å; K517-V524 HydrophobicContact CG-CG2 3.82Å; F522-V524 HydrophobicContact CD2-CG2 4.04Å; F522-V524 HydrophobicContact CE2-CG2 3.74Å; V524-L526 HydrophobicContact CG1-CD2 4.26Å; V524-L526 HydrophobicContact CG1-CG 4.34Å |
| 525 | A | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V449 I485 C486 M487 A488 I511 F514 | V449-A525 HydrophobicContact CG2-CB 4.32Å; I485-A525 HydrophobicContact CD1-CB 3.85Å; I485-A525 HydrophobicContact CG1-CB 4.18Å; C486-A525 PolarHBondContact O-N 3.44Å; M487-A525 HydrophobicContact SD-CB 3.73Å; A488-A525 PolarHBondContact N-O 3.06Å; I511-A525 HydrophobicContact CD1-CB 4.14Å; I511-A525 HydrophobicContact CG2-CB 4.19Å; F514-A525 HydrophobicContact CD1-CB 3.93Å; F514-A525 HydrophobicContact CE1-CB 3.74Å |
| 526 | L | 97.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120 | -179.2 | -70.1 | 170.8 | 0 | 0 | 0 | 110.6 | I275 A488 R512 E513 V515 V524 V530 | I275-L526 HydrophobicContact CG2-CD2 4.2Å; A488-L526 HydrophobicContact CB-CD2 3.64Å; R512-L526 PolarHBondContact N-O 2.75Å; E513-L526 HydrophobicContact CG-CB 4.07Å; E513-L526 HydrophobicContact CG-CD1 3.64Å; E513-L526 HydrophobicContact CG-CG 4.37Å; E513-L526 PolarHBondContact O-N 3.01Å; E513-L526 VanDerWaalsContact OE1-CD1 3.29Å; E513-L526 WeakPolarHBondContact OE1-CD1 3.18Å; V515-L526 HydrophobicContact CG2-CD1 3.56Å; V515-L526 HydrophobicContact CG2-CG 4.34Å; V524-L526 HydrophobicContact CG1-CD2 4.26Å; V524-L526 HydrophobicContact CG1-CG 4.34Å; L526-V530 HydrophobicContact CD2-CB 4Å; L526-V530 HydrophobicContact CD2-CG2 3.47Å; L526-V530 VanDerWaalsContact CD2-CG2 3.47Å |
| 527 | T | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -88.7 | -37 | 175.4 | 72 | 0 | 0 | 0 | 0 | 112.7 | M487 A488 K489 D496 V509 T510 I511 R512 | M487-T527 HydrophobicContact CE-CG2 4.45Å; A488-T527 PolarHBondContact O-N 3.27Å; A488-T527 PolarHBondContact O-OG1 3.1Å; K489-T527 WeakPolarHBondContact CA-OG1 3.28Å; K489-T527 HydrophobicContact CB-CG2 3.87Å; K489-T527 VanDerWaalsContact CB-OG1 3.27Å; K489-T527 WeakPolarHBondContact CB-OG1 3.23Å; D496-T527 HydrophobicContact CB-CG2 4.39Å; V509-T527 HydrophobicContact CG1-CG2 3.61Å; T510-T527 WeakPolarHBondContact O-CA 3.46Å; T510-T527 WeakPolarHBondContact O-CB 3.44Å; I511-T527 HydrophobicContact CD1-CG2 4.1Å; R512-T527 WeakPolarHBondContact CG-O 3.49Å |
| 528 | G | 89.1 | Confident | 94.3 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -136.8 | -170.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V530 | G528-V530 PolarHBondContact O-N 3.45Š|
| 529 | D | 83.4 | Confident | 94.1 | Very high | 141 Ų | 141 | 44.7 Ų | 44.7 | 75% | 0.754 | 24% | 0.243 | S | C | * | . | trans | -72.2 | 120 | 173.2 | -62.4 | -40.8 | 0 | 0 | 0 | 109.3 | R512 | R512-D529 IonicContact CZ-OD1 3.46Å; R512-D529 IonicContact NH1-OD1 2.73Å; R512-D529 PolarHBondContact NH1-OD1 3.41Å; R512-D529 IonicContact NH1-OD2 3.5Å; R512-D529 PolarHBondContact NH1-OD2 3.28Å; R512-D529 IonicContact NH2-OD1 3.55Å | ||
| 530 | V | 85.6 | Confident | 93.8 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 22% | 0.218 | 25% | 0.25 | C | S | . | . | trans | -102.4 | 123.6 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | N274 I275 A488 L526 G528 T532 | N274-V530 HydrophobicContact CB-CG1 4.46Å; N274-V530 WeakPolarHBondContact ND2-CG1 3.17Å; I275-V530 HydrophobicContact CG2-CB 4.26Å; I275-V530 HydrophobicContact CG2-CG1 3.75Å; A488-V530 HydrophobicContact CB-CG2 4.23Å; L526-V530 HydrophobicContact CD2-CB 4Å; L526-V530 HydrophobicContact CD2-CG2 3.47Å; L526-V530 VanDerWaalsContact CD2-CG2 3.47Å; G528-V530 PolarHBondContact O-N 3.45Å; V530-T532 PolarHBondContact O-N 2.81Å | ||
| 531 | M | 88.4 | Confident | 93.4 | Very high | 112 Ų | 112 | 46.7 Ų | 46.7 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | trans | -78.1 | 102.1 | 178 | -168.7 | 165.9 | -59.1 | 0 | 0 | 110.4 | R175 | R175-M531 PolarHBondContact NH2-SD 2.84Š| ||
| 532 | T | 93.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -88.6 | -15 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | D195 I196 I275 V530 | D195-T532 VanDerWaalsContact OD1-CB 3.24Å; D195-T532 WeakPolarHBondContact OD1-CB 3.36Å; D195-T532 PolarHBondContact OD1-OG1 2.88Å; I196-T532 WeakPolarHBondContact CG2-O 3.32Å; I196-T532 PolarHBondContact N-O 2.84Å; I275-T532 HydrophobicContact CD1-CG2 3.88Å; V530-T532 PolarHBondContact O-N 2.81Å |
| 533 | M | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -129.6 | 97.8 | 172.7 | 178.9 | 54.6 | 83.7 | 0 | 0 | 109.6 | V167 D171 R175 F194 D195 I196 | V167-M533 HydrophobicContact CG1-CE 3.75Å; D171-M533 WeakPolarHBondContact O-CG 3.3Å; R175-M533 HydrophobicContact CG-CB 3.94Å; R175-M533 HydrophobicContact CG-CG 4.04Å; R175-M533 VanDerWaalsContact CZ-O 3.31Å; R175-M533 PolarHBondContact NE-O 3.5Å; R175-M533 PolarHBondContact NH2-O 2.73Å; F194-M533 HydrophobicContact CB-CE 3.76Å; F194-M533 WeakPolarHBondContact O-CB 3.46Å; D195-M533 VanDerWaalsContact O-CE 3.29Å; D195-M533 WeakPolarHBondContact O-CE 3.3Å; I196-M533 HydrophobicContact CB-SD 4.43Å |
| 534 | P | 93 | Very high | 92.6 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | trans | -63.8 | 159.9 | 178.2 | -17 | 30.3 | 0 | 0 | 0 | 111.8 | N170 D171 I196 | N170-P534 CarbonylContact C-O 3.58Å; N170-P534 VanDerWaalsContact CA-O 3.27Å; N170-P534 WeakPolarHBondContact CA-O 3.28Å; N170-P534 HydrophobicContact CB-CB 4.33Å; D171-P534 PolarHBondContact N-O 2.46Å; I196-P534 HydrophobicContact CD1-CG 4.33Å | ||
| 535 | G | 93.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 24% | 0.237 | 34% | 0.336 | C | S | . | . | trans | -115.9 | 151.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 536 | L | 93.8 | Very high | 92 | Very high | 61 Ų | 61 | 67 Ų | 67 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | trans | -65.3 | 144.1 | 174.4 | -69.6 | 173.1 | 0 | 0 | 0 | 112.7 | N170 R172 P540 | N170-L536 HydrophobicContact CB-CD2 3.96Å; N170-L536 HydrophobicContact CB-CG 4.11Å; N170-L536 PolarHBondContact O-N 2.7Å; R172-L536 PolarHBondContact NH2-O 3.23Å; L536-P540 HydrophobicContact CB-CB 4.38Å; L536-P540 HydrophobicContact CD1-CB 4.45Å; L536-P540 HydrophobicContact CD2-CB 4.05Å | ||
| 537 | P | 93.4 | Very high | 91.8 | Very high | 42 Ų | 42 | 70.3 Ų | 70.3 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | trans | -71.1 | 174.7 | 175.3 | 33.5 | -37.5 | 0 | 0 | 0 | 111.5 | I104 K539 P540 | I104-P537 HydrophobicContact CD1-CB 4.24Å; I104-P537 HydrophobicContact CD1-CG 4.39Å; I104-P537 HydrophobicContact CG1-CB 4.23Å; I104-P537 HydrophobicContact CG1-CG 3.85Å; P537-K539 PolarHBondContact O-N 3.45Å; P537-P540 HydrophobicContact CG-CB 4.48Å | ||
| 538 | K | 95.3 | Very high | 91.6 | Very high | 208 Ų | 208 | 72.5 Ų | 72.5 | 90% | 0.904 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -56.5 | -34.6 | 176.5 | -177.8 | 171.8 | -178.6 | 174.3 | 0 | 113.2 | ||
| 539 | K | 93.2 | Very high | 91.9 | Very high | 172 Ų | 172 | 81.1 Ų | 81.1 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -125.2 | 90.3 | 174.3 | -67 | -172.8 | 179.4 | -174 | 0 | 107.9 | P537 L543 | P537-K539 PolarHBondContact O-N 3.45Å; K539-L543 HydrophobicContact CB-CD1 4.48Å |
| 540 | P | 92.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 83 Ų | 83 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | trans | -65.9 | 148.4 | 179.1 | 26.6 | -31.6 | 0 | 0 | 0 | 110.7 | M102 L536 P537 A542 L543 | M102-P540 WeakPolarHBondContact O-CB 3.4Å; L536-P540 HydrophobicContact CB-CB 4.38Å; L536-P540 HydrophobicContact CD1-CB 4.45Å; L536-P540 HydrophobicContact CD2-CB 4.05Å; P537-P540 HydrophobicContact CG-CB 4.48Å; P540-A542 HydrophobicContact CB-CB 4.39Å; P540-A542 PolarHBondContact O-N 2.99Å; P540-A542 VanDerWaalsContact O-N 3.16Å; P540-L543 HydrophobicContact CG-CD1 4.41Å; P540-L543 HydrophobicContact CG-CG 4.09Å; P540-L543 PolarHBondContact O-N 3.15Å; P540-L543 VanDerWaalsContact O-N 3.1Å | ||
| 541 | A | 89.6 | Confident | 92.7 | Very high | 18 Ų | 18 | 83.4 Ų | 83.4 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -56.1 | -29.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M102 G103 L543 N544 M545 | M102-A541 PolarHBondContact O-N 2.97Å; M102-A541 VanDerWaalsContact O-N 3.09Å; G103-A541 PolarHBondContact O-N 3.28Å; G103-A541 VanDerWaalsContact O-N 3.15Å; A541-L543 PolarHBondContact O-N 2.6Å; A541-N544 PolarHBondContact O-N 3.26Å; A541-M545 HydrophobicContact CB-CE 4.02Å |
| 542 | A | 91.2 | Very high | 92.6 | Very high | 42 Ų | 42 | 81.4 Ų | 81.4 | 35% | 0.347 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -51.5 | -26.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M102 P540 N544 M545 | M102-A542 HydrophobicContact CB-CB 4.24Å; M102-A542 PolarHBondContact O-N 2.57Å; P540-A542 HydrophobicContact CB-CB 4.39Å; P540-A542 PolarHBondContact O-N 2.99Å; P540-A542 VanDerWaalsContact O-N 3.16Å; A542-N544 PolarHBondContact O-N 3.48Å; A542-M545 PolarHBondContact O-N 3.13Å |
| 543 | L | 93.3 | Very high | 92.3 | Very high | 123 Ų | 123 | 80.3 Ų | 80.3 | 64% | 0.644 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -65.7 | -17.9 | 176.9 | -69 | 176.5 | 0 | 0 | 0 | 113.8 | K539 P540 A541 | K539-L543 HydrophobicContact CB-CD1 4.48Å; P540-L543 HydrophobicContact CG-CD1 4.41Å; P540-L543 HydrophobicContact CG-CG 4.09Å; P540-L543 PolarHBondContact O-N 3.15Å; P540-L543 VanDerWaalsContact O-N 3.1Å; A541-L543 PolarHBondContact O-N 2.6Å |
| 544 | N | 90.1 | Very high | 91.9 | Very high | 122 Ų | 122 | 84.1 Ų | 84.1 | 65% | 0.652 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -112.6 | 5.5 | -179.9 | -53 | -53.8 | 0 | 0 | 0 | 112.2 | A541 A542 G555 | A541-N544 PolarHBondContact O-N 3.26Å; A542-N544 PolarHBondContact O-N 3.48Å; N544-G555 VanDerWaalsContact O-CA 3.27Å; N544-G555 WeakPolarHBondContact O-CA 3.33Å |
| 545 | M | 90.5 | Very high | 91.4 | Very high | 46 Ų | 46 | 84 Ų | 84 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | trans | -90.5 | 136.5 | -179.5 | -68.1 | 177.9 | 171.4 | 0 | 0 | 110.3 | V101 M102 A541 A542 I554 | V101-M545 HydrophobicContact CG1-CE 3.94Å; V101-M545 WeakPolarHBondContact O-CE 3.49Å; M102-M545 HydrophobicContact CG-SD 4.44Å; A541-M545 HydrophobicContact CB-CE 4.02Å; A542-M545 PolarHBondContact O-N 3.13Å; M545-I554 VanDerWaalsContact CA-O 3.31Å; M545-I554 WeakPolarHBondContact CA-O 3.46Å | ||
| 546 | D | 93.3 | Very high | 90.6 | Very high | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 178.3 | 178.2 | -152.2 | -8.7 | 0 | 0 | 0 | 110.8 | I554 | D546-I554 HydrophobicContact CB-CB 4.18Å; D546-I554 HydrophobicContact CB-CD1 4.43Å; D546-I554 PolarHBondContact N-O 3.07Å; D546-I554 PolarHBondContact O-N 3.39Å |
| 547 | V | 92.8 | Very high | 89.6 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.2 | 170.9 | 63 | 0 | 0 | 0 | 0 | 109.5 | N552 | V547-N552 WeakPolarHBondContact CA-O 3.35Å |
| 548 | D | 92.5 | Very high | 89.4 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 31% | 0.305 | 45% | 0.447 | S | S | . | . | trans | -75.2 | 171.3 | 177.5 | 80 | 8.4 | 0 | 0 | 0 | 112.4 | K550 G551 N552 I554 | D548-K550 PolarHBondContact O-N 3Å; D548-K550 VanDerWaalsContact OD1-CA 3.3Å; D548-K550 WeakPolarHBondContact OD1-CA 3.5Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 PolarHBondContact OD1-N 2.86Å; D548-G551 PolarHBondContact O-N 3Å; D548-G551 PolarHBondContact OD1-N 3.11Å; D548-N552 PolarHBondContact N-O 3.08Å; D548-N552 PolarHBondContact OD1-N 3.1Å; D548-N552 PolarHBondContact OD1-ND2 2.93Å; D548-N552 WeakPolarHBondContact OD2-CB 3.45Å; D548-N552 PolarHBondContact OD2-ND2 2.78Å; D548-I554 HydrophobicContact CB-CD1 3.9Å; D548-I554 HydrophobicContact CB-CG1 4.49Å | ||
| 549 | E | 95.8 | Very high | 89.1 | Confident | 211 Ų | 211 | 78.7 Ų | 78.7 | 99% | 0.986 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.9 | -179.9 | -63.3 | -176.6 | 168 | 0 | 0 | 114.2 | ||
| 550 | K | 93.4 | Very high | 88.9 | Confident | 180 Ų | 180 | 73.5 Ų | 73.5 | 78% | 0.783 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.2 | 177.1 | -62.3 | 179.6 | -178.4 | 175.8 | 0 | 112.5 | D548 | D548-K550 PolarHBondContact O-N 3Å; D548-K550 VanDerWaalsContact OD1-CA 3.3Å; D548-K550 WeakPolarHBondContact OD1-CA 3.5Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 PolarHBondContact OD1-N 2.86Å |
| 551 | G | 91 | Very high | 88.7 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 46% | 0.464 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 86.4 | 12.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D548 | D548-G551 PolarHBondContact O-N 3Å; D548-G551 PolarHBondContact OD1-N 3.11Å |
| 552 | N | 88 | Confident | 88.6 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | trans | -81.9 | 137.4 | 176.5 | -51.4 | -63.6 | 0 | 0 | 0 | 110.5 | V547 D548 | V547-N552 WeakPolarHBondContact CA-O 3.35Å; D548-N552 PolarHBondContact N-O 3.08Å; D548-N552 PolarHBondContact OD1-N 3.1Å; D548-N552 PolarHBondContact OD1-ND2 2.93Å; D548-N552 WeakPolarHBondContact OD2-CB 3.45Å; D548-N552 PolarHBondContact OD2-ND2 2.78Å | ||
| 553 | A | 87.1 | Confident | 88.5 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 7% | 0.074 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q9 E120 L556 | Q9-A553 PolarHBondContact NE2-O 3.22Å; E120-A553 VanDerWaalsContact CD-CB 3.44Å; E120-A553 HydrophobicContact CG-CB 3.99Å; E120-A553 WeakPolarHBondContact OE2-CB 3.36Å; A553-L556 HydrophobicContact CB-CD1 3.67Å |
| 554 | I | 87 | Confident | 88.1 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.6 | 171.1 | -61.1 | 167.9 | 0 | 0 | 0 | 108.2 | M545 D546 D548 L556 | M545-I554 VanDerWaalsContact CA-O 3.31Å; M545-I554 WeakPolarHBondContact CA-O 3.46Å; D546-I554 HydrophobicContact CB-CB 4.18Å; D546-I554 HydrophobicContact CB-CD1 4.43Å; D546-I554 PolarHBondContact N-O 3.07Å; D546-I554 PolarHBondContact O-N 3.39Å; D548-I554 HydrophobicContact CB-CD1 3.9Å; D548-I554 HydrophobicContact CB-CG1 4.49Å; I554-L556 VanDerWaalsContact C-N 3.27Å; I554-L556 PolarHBondContact O-N 3.21Å |
| 555 | G | 81.3 | Confident | 88 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 83.2 | -7.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K105 N544 | K105-G555 VanDerWaalsContact CE-O 3.29Å; K105-G555 WeakPolarHBondContact CE-O 3.28Å; K105-G555 PolarHBondContact NZ-O 3.17Å; N544-G555 VanDerWaalsContact O-CA 3.27Å; N544-G555 WeakPolarHBondContact O-CA 3.33Å |
| 556 | L | 78.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 6% | 0.063 | 43% | 0.425 | C | S | . | . | trans | -71.2 | 134.3 | 158.8 | -84.9 | 116.9 | 0 | 0 | 0 | 109.7 | I5 V101 N123 A553 I554 | I5-L556 WeakPolarHBondContact CB-O 3.45Å; I5-L556 HydrophobicContact CD1-CB 4.11Å; I5-L556 WeakPolarHBondContact CG1-O 3.38Å; I5-L556 WeakPolarHBondContact CG2-O 3.45Å; V101-L556 HydrophobicContact CG1-CD2 3.94Å; N123-L556 HydrophobicContact CB-CD2 4.08Å; A553-L556 HydrophobicContact CB-CD1 3.67Å; I554-L556 VanDerWaalsContact C-N 3.27Å; I554-L556 PolarHBondContact O-N 3.21Å | ||
| 557 | F | 72.5 | Confident | 87.3 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 24% | 0.237 | 41% | 0.408 | C | S | . | . | trans | 36.9 | 0 | -174 | -52.3 | -72.5 | 0 | 0 | 0 | 120.7 | I5 K105 M119 N123 | I5-F557 VanDerWaalsContact CG2-O 3.23Å; I5-F557 WeakPolarHBondContact CG2-O 2.99Å; K105-F557 HydrophobicContact CB-CD1 4.42Å; K105-F557 HydrophobicContact CB-CE1 4.37Å; K105-F557 HydrophobicContact CD-CD1 3.87Å; K105-F557 HydrophobicContact CD-CE1 4.35Å; K105-F557 HydrophobicContact CG-CD1 3.9Å; K105-F557 HydrophobicContact CG-CE1 3.87Å; K105-F557 PolarHBondContact NZ-OXT 2.93Å; M119-F557 HydrophobicContact CG-CD2 4.1Å; M119-F557 HydrophobicContact CG-CE2 4.32Å; M119-F557 HydrophobicContact SD-CB 4.27Å; M119-F557 HydrophobicContact SD-CD2 3.56Å; M119-F557 VanDerWaalsContact SD-CD2 3.56Å; M119-F557 HydrophobicContact SD-CE2 4.33Å; M119-F557 HydrophobicContact SD-CG 4.15Å; N123-F557 HydrophobicContact CB-CE2 3.95Å; N123-F557 HydrophobicContact CB-CZ 4.25Å; N123-F557 VanDerWaalsContact CG-CE2 3.45Å; N123-F557 VanDerWaalsContact ND2-CE2 3.32Å; N123-F557 WeakPolarHBondContact ND2-CE2 3.16Å; N123-F557 WeakPolarHBondContact OD1-CZ 3.42Å |
Retrieved 557 of 557 residues in 1100.5 ms
(Link to these results)