| 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 | 71.8 | Confident | 93.1 | Very high | 180 Ų | 180 | 71.5 Ų | 71.5 | 89% | 0.887 | 37% | 0.372 | S | S | * | . | 0 | 140.6 | 0 | -71.3 | 177.9 | 66.4 | 0 | 0 | 109 | V3 D4 | M1-V3 PolarHBondContact O-N 2.8Å; M1-D4 PolarHBondContact O-N 2.8Å | |||
| 2 | V | 90 | Very high | 93.4 | Very high | 111 Ų | 111 | 72.9 Ų | 72.9 | 67% | 0.673 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.8 | -37.4 | -177.6 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | D4 L5 L6 | V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 3.12Å; V2-L5 PolarHBondContact O-N 2.96Å; V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 HydrophobicContact CG1-CG 4.38Å; V2-L6 PolarHBondContact O-N 3.12Å; V2-L6 VanDerWaalsContact O-N 3.07Å |
| 3 | V | 93.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 78.6 Ų | 78.6 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | M1 L5 L6 V7 I32 T38 | M1-V3 PolarHBondContact O-N 2.8Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.16Å; V3-L6 PolarHBondContact O-N 3.41Å; V3-V7 HydrophobicContact CG1-CG2 4.37Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-I32 HydrophobicContact CG1-CD1 3.93Å; V3-I32 HydrophobicContact CG1-CG1 4.18Å; V3-I32 HydrophobicContact CG1-CG2 3.64Å; V3-T38 HydrophobicContact CG1-CG2 3.91Å |
| 4 | D | 95.1 | Very high | 93.8 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | -178.4 | -75.4 | 12.9 | 0 | 0 | 0 | 111.3 | M1 V2 K8 R41 I42 | M1-D4 PolarHBondContact O-N 2.8Å; V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 3.12Å; D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.5Å; D4-K8 PolarHBondContact O-N 3.43Å; D4-R41 VanDerWaalsContact CG-NH2 3.33Å; D4-R41 IonicContact OD1-CZ 3.51Å; D4-R41 IonicContact OD1-NH1 2.91Å; D4-R41 IonicContact OD1-NH2 3.15Å; D4-R41 PolarHBondContact OD1-NH2 3.17Å; D4-R41 IonicContact OD2-CZ 3.76Å; D4-R41 IonicContact OD2-NH1 3.86Å; D4-R41 PolarHBondContact OD2-NH1 3.23Å; D4-R41 IonicContact OD2-NH2 2.76Å; D4-R41 PolarHBondContact OD2-NH2 3.2Å; D4-R41 VanDerWaalsContact OD2-NH2 3.15Å; D4-I42 HydrophobicContact CB-CD1 3.87Å |
| 5 | L | 95.6 | Very high | 94 | Very high | 125 Ų | 125 | 80.9 Ų | 80.9 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.7 | -41.2 | 175.9 | -65.1 | 176.3 | 0 | 0 | 0 | 111.6 | V2 V3 K8 N9 | V2-L5 PolarHBondContact O-N 2.96Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.16Å; L5-K8 PolarHBondContact O-N 3.37Å; L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.18Å; L5-N9 PolarHBondContact O-N 3.16Å |
| 6 | L | 95.2 | Very high | 94.2 | Very high | 75 Ų | 75 | 78.8 Ų | 78.8 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 176.1 | -72.2 | 172.4 | 0 | 0 | 0 | 111.6 | V2 V3 Q10 | V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 HydrophobicContact CG1-CG 4.38Å; V2-L6 PolarHBondContact O-N 3.12Å; V2-L6 VanDerWaalsContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.41Å; L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 3.5Å |
| 7 | V | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V3 Q10 N11 L26 I32 T38 V39 I42 | V3-V7 HydrophobicContact CG1-CG2 4.37Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.35Å; V7-Q10 PolarHBondContact O-N 2.91Å; V7-N11 WeakPolarHBondContact O-CB 3.2Å; V7-N11 PolarHBondContact O-N 3.41Å; V7-L26 HydrophobicContact CB-CD1 4.42Å; V7-L26 HydrophobicContact CG2-CD1 3.8Å; V7-I32 HydrophobicContact CG2-CD1 4.36Å; V7-T38 HydrophobicContact CG2-CG2 4.35Å; V7-V39 HydrophobicContact CG1-CB 4.27Å; V7-V39 HydrophobicContact CG1-CG1 4.35Å; V7-V39 HydrophobicContact CG1-CG2 4.02Å; V7-V39 HydrophobicContact CG2-CG2 4.15Å; V7-I42 HydrophobicContact CB-CB 4.41Å; V7-I42 HydrophobicContact CB-CG1 4.22Å; V7-I42 HydrophobicContact CB-CG2 4.34Å; V7-I42 HydrophobicContact CG1-CB 3.59Å; V7-I42 HydrophobicContact CG1-CG1 3.86Å; V7-I42 HydrophobicContact CG1-CG2 3.72Å |
| 8 | K | 96.6 | Very high | 94.3 | Very high | 109 Ų | 109 | 73.8 Ų | 73.8 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 178 | -178.4 | 179.2 | 171.6 | -174.5 | 0 | 111.4 | D4 L5 Q10 N11 E12 I42 | D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.5Å; D4-K8 PolarHBondContact O-N 3.43Å; L5-K8 PolarHBondContact O-N 3.37Å; K8-Q10 VanDerWaalsContact C-N 3.29Å; K8-Q10 PolarHBondContact O-N 3.13Å; K8-N11 PolarHBondContact O-N 3.3Å; K8-N11 VanDerWaalsContact O-N 3.16Å; K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.9Å; K8-E12 WeakPolarHBondContact O-CG 3.3Å; K8-E12 PolarHBondContact O-N 3.32Å; K8-I42 HydrophobicContact CB-CG2 4.09Å |
| 9 | N | 96.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 71.4 Ų | 71.4 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.9 | 175.6 | 63.3 | 0 | 0 | 0 | 111.8 | L5 E12 K13 | L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.18Å; L5-N9 PolarHBondContact O-N 3.16Å; N9-E12 PolarHBondContact O-N 3.45Å; N9-K13 WeakPolarHBondContact O-CB 3.33Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.29Å |
| 10 | Q | 96.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 16% | 0.159 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.1 | -171 | 62.1 | 25.3 | 0 | 0 | 112.3 | L6 V7 K8 E12 K13 Q14 T22 L26 | L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 3.5Å; V7-Q10 PolarHBondContact O-N 2.91Å; K8-Q10 VanDerWaalsContact C-N 3.29Å; K8-Q10 PolarHBondContact O-N 3.13Å; Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 2.82Å; Q10-K13 PolarHBondContact O-N 3.13Å; Q10-Q14 WeakPolarHBondContact O-CB 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.49Å; Q10-Q14 PolarHBondContact O-N 3.2Å; Q10-Q14 VanDerWaalsContact O-N 3.13Å; Q10-T22 HydrophobicContact CB-CG2 4.22Å; Q10-T22 HydrophobicContact CG-CG2 4.05Å; Q10-L26 HydrophobicContact CB-CD2 3.84Å; Q10-L26 HydrophobicContact CB-CG 4.22Å; Q10-L26 HydrophobicContact CG-CD2 3.98Å; Q10-L26 HydrophobicContact CG-CG 3.98Å |
| 11 | N | 96.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.011 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.7 | -179.1 | -107.1 | 0 | 0 | 0 | 111.9 | V7 K8 Q14 H16 A17 T22 | V7-N11 WeakPolarHBondContact O-CB 3.2Å; V7-N11 PolarHBondContact O-N 3.41Å; K8-N11 PolarHBondContact O-N 3.3Å; K8-N11 VanDerWaalsContact O-N 3.16Å; N11-Q14 PolarHBondContact O-N 3.16Å; N11-H16 WeakPolarHBondContact O-CA 3.2Å; N11-H16 PolarHBondContact O-N 3.44Å; N11-H16 PolarHBondContact OD1-ND1 2.97Å; N11-H16 VanDerWaalsContact OD1-ND1 3.07Å; N11-A17 PolarHBondContact ND2-O 3.4Å; N11-T22 HydrophobicContact CB-CG2 4.38Å |
| 12 | E | 97.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 177.8 | -72.8 | 171.2 | 176.2 | 0 | 0 | 111.9 | K8 N9 Q10 Q14 M15 | K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.9Å; K8-E12 WeakPolarHBondContact O-CG 3.3Å; K8-E12 PolarHBondContact O-N 3.32Å; N9-E12 PolarHBondContact O-N 3.45Å; Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 2.82Å; E12-Q14 PolarHBondContact O-N 3.18Å; E12-M15 PolarHBondContact O-N 2.74Å; E12-M15 VanDerWaalsContact O-N 3.11Å |
| 13 | K | 96.6 | Very high | 96.2 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -28.7 | 175.2 | -76.5 | -178 | 178.1 | -171.2 | 0 | 113.6 | N9 Q10 M15 | N9-K13 WeakPolarHBondContact O-CB 3.33Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.29Å; Q10-K13 PolarHBondContact O-N 3.13Å; K13-M15 VanDerWaalsContact C-N 3.3Å |
| 14 | Q | 95.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 20.6 | 179.2 | -67 | 176.3 | -29.7 | 0 | 0 | 113.1 | Q10 N11 E12 H16 A17 H21 T22 T25 | Q10-Q14 WeakPolarHBondContact O-CB 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.49Å; Q10-Q14 PolarHBondContact O-N 3.2Å; Q10-Q14 VanDerWaalsContact O-N 3.13Å; N11-Q14 PolarHBondContact O-N 3.16Å; E12-Q14 PolarHBondContact O-N 3.18Å; Q14-H16 PolarHBondContact O-N 2.9Å; Q14-A17 HydrophobicContact CB-CB 3.84Å; Q14-A17 WeakPolarHBondContact O-CB 3.3Å; Q14-A17 PolarHBondContact O-N 3.45Å; Q14-H21 VanDerWaalsContact CD-CD2 3.46Å; Q14-H21 PolarHBondContact NE2-CD2 2.99Å; Q14-T22 PolarHBondContact OE1-OG1 3.2Å; Q14-T25 PolarHBondContact NE2-OG1 3.33Å |
| 15 | M | 97 | Very high | 96.4 | Very high | 165 Ų | 165 | 60.6 Ų | 60.6 | 81% | 0.813 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.9 | 178.7 | -56.7 | -62.2 | -70.5 | 0 | 0 | 112.4 | E12 K13 A17 | E12-M15 PolarHBondContact O-N 2.74Å; E12-M15 VanDerWaalsContact O-N 3.11Å; K13-M15 VanDerWaalsContact C-N 3.3Å; M15-A17 PolarHBondContact O-N 3.18Å |
| 16 | H | 96.9 | Very high | 96.3 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 21% | 0.213 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 34.4 | 178.4 | -59.7 | -66 | 0 | 0 | 0 | 115.4 | N11 Q14 C46 I48 | N11-H16 WeakPolarHBondContact O-CA 3.2Å; N11-H16 PolarHBondContact O-N 3.44Å; N11-H16 PolarHBondContact OD1-ND1 2.97Å; N11-H16 VanDerWaalsContact OD1-ND1 3.07Å; Q14-H16 PolarHBondContact O-N 2.9Å; H16-C46 PolarHBondContact ND1-SG 3.4Å; H16-I48 HydrophobicContact CB-CG2 4.32Å; H16-I48 WeakPolarHBondContact CD2-CG2 3.21Å; H16-I48 WeakPolarHBondContact NE2-CD1 3.2Å |
| 17 | A | 95.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | trans | -54.8 | 156.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N11 Q14 M15 H21 T22 | N11-A17 PolarHBondContact ND2-O 3.4Å; Q14-A17 HydrophobicContact CB-CB 3.84Å; Q14-A17 WeakPolarHBondContact O-CB 3.3Å; Q14-A17 PolarHBondContact O-N 3.45Å; M15-A17 PolarHBondContact O-N 3.18Å; A17-H21 HydrophobicContact CB-CB 3.92Å; A17-H21 WeakPolarHBondContact CB-CD2 3.44Å; A17-T22 PolarHBondContact O-OG1 3.09Å | ||
| 18 | G | 95.2 | Very high | 96.3 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | trans | -64.4 | 167.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E20 H21 T22 | G18-E20 VanDerWaalsContact C-N 3.29Å; G18-E20 PolarHBondContact O-N 2.88Å; G18-H21 PolarHBondContact O-N 3.43Å; G18-T22 PolarHBondContact O-N 2.93Å; G18-T22 VanDerWaalsContact O-N 3.09Å; G18-T22 PolarHBondContact O-OG1 3.06Å | ||
| 19 | T | 96.5 | Very high | 96.2 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 17% | 0.172 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -51.2 | -43.5 | -177.1 | -60.3 | 0 | 0 | 0 | 0 | 113.6 | L23 V39 K40 | T19-L23 WeakPolarHBondContact O-CB 3.27Å; T19-L23 PolarHBondContact O-N 2.76Å; T19-V39 HydrophobicContact CG2-CB 4.31Å; T19-V39 HydrophobicContact CG2-CG1 3.97Å; T19-K40 HydrophobicContact CG2-CB 3.9Å |
| 20 | E | 96.7 | Very high | 96 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | -175.5 | -59.5 | -57 | 142.6 | 0 | 0 | 112.2 | G18 L23 A24 R36 | G18-E20 VanDerWaalsContact C-N 3.29Å; G18-E20 PolarHBondContact O-N 2.88Å; E20-L23 PolarHBondContact O-N 3.09Å; E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 2.99Å; E20-R36 IonicContact OE1-CZ 3.31Å; E20-R36 VanDerWaalsContact OE1-CZ 3.31Å; E20-R36 IonicContact OE1-NE 2.96Å; E20-R36 PolarHBondContact OE1-NE 3.44Å; E20-R36 IonicContact OE1-NH2 2.8Å; E20-R36 PolarHBondContact OE1-NH2 3.27Å |
| 21 | H | 96.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 177.3 | -172.6 | 82.6 | 0 | 0 | 0 | 111.7 | Q14 A17 G18 L23 A24 T25 | Q14-H21 VanDerWaalsContact CD-CD2 3.46Å; Q14-H21 PolarHBondContact NE2-CD2 2.99Å; A17-H21 HydrophobicContact CB-CB 3.92Å; A17-H21 WeakPolarHBondContact CB-CD2 3.44Å; G18-H21 PolarHBondContact O-N 3.43Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.87Å; H21-A24 PolarHBondContact O-N 3.22Å; H21-T25 PolarHBondContact O-N 3.35Å; H21-T25 VanDerWaalsContact O-N 3.16Å; H21-T25 PolarHBondContact O-OG1 3Å |
| 22 | T | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.3 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | Q10 N11 Q14 A17 G18 L26 V39 | Q10-T22 HydrophobicContact CB-CG2 4.22Å; Q10-T22 HydrophobicContact CG-CG2 4.05Å; N11-T22 HydrophobicContact CB-CG2 4.38Å; Q14-T22 PolarHBondContact OE1-OG1 3.2Å; A17-T22 PolarHBondContact O-OG1 3.09Å; G18-T22 PolarHBondContact O-N 2.93Å; G18-T22 VanDerWaalsContact O-N 3.09Å; G18-T22 PolarHBondContact O-OG1 3.06Å; T22-L26 HydrophobicContact CG2-CD1 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.37Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3.46Å; T22-V39 HydrophobicContact CG2-CG1 3.84Å |
| 23 | L | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.8 | 179.3 | 61.8 | 0 | 0 | 0 | 112.5 | T19 E20 H21 T25 L26 R27 A35 R36 V39 | T19-L23 WeakPolarHBondContact O-CB 3.27Å; T19-L23 PolarHBondContact O-N 2.76Å; E20-L23 PolarHBondContact O-N 3.09Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.87Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-R27 HydrophobicContact CD1-CG 4.47Å; L23-R27 WeakPolarHBondContact O-CG 3.24Å; L23-R27 PolarHBondContact O-N 3.17Å; L23-R27 VanDerWaalsContact O-N 3.12Å; L23-A35 HydrophobicContact CD1-CB 3.49Å; L23-A35 VanDerWaalsContact CD1-CB 3.49Å; L23-R36 HydrophobicContact CD2-CB 3.86Å; L23-R36 HydrophobicContact CD2-CG 3.96Å; L23-V39 HydrophobicContact CD1-CG2 4.3Å |
| 24 | A | 97 | Very high | 95.4 | Very high | 53 Ų | 53 | 80 Ų | 80 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E20 H21 | E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 2.99Å; H21-A24 PolarHBondContact O-N 3.22Å |
| 25 | T | 96.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 79.3 Ų | 79.3 | 17% | 0.172 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -77.7 | -34.7 | 179.5 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | Q14 H21 L23 R27 Q28 | Q14-T25 PolarHBondContact NE2-OG1 3.33Å; H21-T25 PolarHBondContact O-N 3.35Å; H21-T25 VanDerWaalsContact O-N 3.16Å; H21-T25 PolarHBondContact O-OG1 3Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 3.31Å; T25-R27 VanDerWaalsContact C-N 3.25Å; T25-R27 PolarHBondContact O-N 3.15Å; T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å |
| 26 | L | 95.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 78.6 Ų | 78.6 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.3 | -41.1 | 172.4 | -76.5 | 169.4 | 0 | 0 | 0 | 111.4 | V7 Q10 T22 L23 Q28 N29 V30 I32 V39 | V7-L26 HydrophobicContact CB-CD1 4.42Å; V7-L26 HydrophobicContact CG2-CD1 3.8Å; Q10-L26 HydrophobicContact CB-CD2 3.84Å; Q10-L26 HydrophobicContact CB-CG 4.22Å; Q10-L26 HydrophobicContact CG-CD2 3.98Å; Q10-L26 HydrophobicContact CG-CG 3.98Å; T22-L26 HydrophobicContact CG2-CD1 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.37Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.04Å; L26-Q28 PolarHBondContact O-N 3.43Å; L26-Q28 VanDerWaalsContact O-N 3.12Å; L26-N29 PolarHBondContact O-N 3.48Å; L26-N29 VanDerWaalsContact O-N 3.09Å; L26-V30 HydrophobicContact CB-CG2 4.1Å; L26-V30 HydrophobicContact CD2-CG2 3.97Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.95Å; L26-I32 HydrophobicContact CD1-CD1 4.46Å; L26-V39 HydrophobicContact CD1-CG2 3.6Å |
| 27 | R | 95.5 | Very high | 95.3 | Very high | 147 Ų | 147 | 79.8 Ų | 79.8 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.4 | 179.5 | -78.4 | 174.5 | 170.6 | 153.7 | -5 | 114.8 | L23 T25 N29 | L23-R27 HydrophobicContact CD1-CG 4.47Å; L23-R27 WeakPolarHBondContact O-CG 3.24Å; L23-R27 PolarHBondContact O-N 3.17Å; L23-R27 VanDerWaalsContact O-N 3.12Å; T25-R27 VanDerWaalsContact C-N 3.25Å; T25-R27 PolarHBondContact O-N 3.15Å; R27-N29 VanDerWaalsContact C-N 3.29Å |
| 28 | Q | 95.4 | Very high | 95.3 | Very high | 143 Ų | 143 | 79.9 Ų | 79.9 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.3 | 175.8 | -64.8 | 174.6 | -18.5 | 0 | 0 | 112.3 | T25 L26 | T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å; L26-Q28 PolarHBondContact O-N 3.43Å; L26-Q28 VanDerWaalsContact O-N 3.12Å |
| 29 | N | 93.5 | Very high | 95.4 | Very high | 133 Ų | 133 | 77.7 Ų | 77.7 | 71% | 0.711 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | -22.6 | -170.7 | -60 | -68 | 0 | 0 | 0 | 114 | L26 R27 | L26-N29 PolarHBondContact O-N 3.48Å; L26-N29 VanDerWaalsContact O-N 3.09Å; R27-N29 VanDerWaalsContact C-N 3.29Å |
| 30 | V | 93.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | trans | -140.5 | 141 | -175.1 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L26 I32 | L26-V30 HydrophobicContact CB-CG2 4.1Å; L26-V30 HydrophobicContact CD2-CG2 3.97Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.95Å; V30-I32 HydrophobicContact CG2-CD1 3.92Å; V30-I32 HydrophobicContact CG2-CG1 4.22Å | ||
| 31 | W | 93.7 | Very high | 95.5 | Very high | 217 Ų | 217 | 81.7 Ų | 81.7 | 82% | 0.822 | 39% | 0.386 | S | S | * | . | trans | -104.4 | 106.4 | 172.1 | -169.3 | -97.3 | 0 | 0 | 0 | 110.7 | ||||
| 32 | I | 92.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 77.8 Ų | 77.8 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | trans | -105.8 | 124.9 | -179.1 | -61.8 | 161.4 | 0 | 0 | 0 | 109.2 | V3 V7 L26 V30 K34 A35 | V3-I32 HydrophobicContact CG1-CD1 3.93Å; V3-I32 HydrophobicContact CG1-CG1 4.18Å; V3-I32 HydrophobicContact CG1-CG2 3.64Å; V7-I32 HydrophobicContact CG2-CD1 4.36Å; L26-I32 HydrophobicContact CD1-CD1 4.46Å; V30-I32 HydrophobicContact CG2-CD1 3.92Å; V30-I32 HydrophobicContact CG2-CG1 4.22Å; I32-K34 PolarHBondContact O-N 3.46Å; I32-A35 HydrophobicContact CB-CB 3.88Å; I32-A35 HydrophobicContact CG2-CB 4.19Å; I32-A35 VanDerWaalsContact O-CB 3.3Å; I32-A35 WeakPolarHBondContact O-CB 3.41Å; I32-A35 PolarHBondContact O-N 2.89Å; I32-A35 VanDerWaalsContact O-N 3.16Å | ||
| 33 | L | 93.1 | Very high | 95.5 | Very high | 146 Ų | 146 | 78.5 Ų | 78.5 | 76% | 0.764 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 133.1 | 171.7 | -64.2 | 178.5 | 0 | 0 | 0 | 110.2 | A35 | L33-A35 PolarHBondContact O-N 3.16Š|
| 34 | K | 93.6 | Very high | 95.4 | Very high | 180 Ų | 180 | 86.4 Ų | 86.4 | 78% | 0.783 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 34.3 | -174.8 | -56 | -178.2 | 177.6 | 177.7 | 0 | 113 | I32 R36 S37 T38 | I32-K34 PolarHBondContact O-N 3.46Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.13Å; K34-R36 VanDerWaalsContact O-N 3.13Å; K34-S37 WeakPolarHBondContact CB-OG 3.42Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 VanDerWaalsContact O-N 3.16Å; K34-S37 PolarHBondContact O-OG 2.96Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 3.37Å |
| 35 | A | 94.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 86.8 Ų | 86.8 | 11% | 0.107 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -46.5 | -47.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L23 I32 L33 S37 T38 V39 | L23-A35 HydrophobicContact CD1-CB 3.49Å; L23-A35 VanDerWaalsContact CD1-CB 3.49Å; I32-A35 HydrophobicContact CB-CB 3.88Å; I32-A35 HydrophobicContact CG2-CB 4.19Å; I32-A35 VanDerWaalsContact O-CB 3.3Å; I32-A35 WeakPolarHBondContact O-CB 3.41Å; I32-A35 PolarHBondContact O-N 2.89Å; I32-A35 VanDerWaalsContact O-N 3.16Å; L33-A35 PolarHBondContact O-N 3.16Å; A35-S37 PolarHBondContact O-N 3.07Å; A35-T38 PolarHBondContact O-N 2.94Å; A35-T38 VanDerWaalsContact O-N 3.13Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.16Å; A35-V39 PolarHBondContact O-N 3.46Å |
| 36 | R | 96.7 | Very high | 95.4 | Very high | 149 Ų | 149 | 86.7 Ų | 86.7 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.7 | -45.5 | -176.1 | -169.7 | 177 | -168.6 | -158.5 | 3.4 | 112.8 | E20 L23 K34 T38 K40 | E20-R36 IonicContact OE1-CZ 3.31Å; E20-R36 VanDerWaalsContact OE1-CZ 3.31Å; E20-R36 IonicContact OE1-NE 2.96Å; E20-R36 PolarHBondContact OE1-NE 3.44Å; E20-R36 IonicContact OE1-NH2 2.8Å; E20-R36 PolarHBondContact OE1-NH2 3.27Å; L23-R36 HydrophobicContact CD2-CB 3.86Å; L23-R36 HydrophobicContact CD2-CG 3.96Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.13Å; K34-R36 VanDerWaalsContact O-N 3.13Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.49Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 PolarHBondContact O-N 3.35Å |
| 37 | S | 97 | Very high | 95.5 | Very high | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 177.7 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | K34 A35 R41 | K34-S37 WeakPolarHBondContact CB-OG 3.42Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 VanDerWaalsContact O-N 3.16Å; K34-S37 PolarHBondContact O-OG 2.96Å; A35-S37 PolarHBondContact O-N 3.07Å; S37-R41 WeakPolarHBondContact O-CB 3.29Å; S37-R41 PolarHBondContact O-N 3.39Å |
| 38 | T | 96.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 86.8 Ų | 86.8 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | V3 V7 K34 A35 R36 K40 R41 I42 | V3-T38 HydrophobicContact CG1-CG2 3.91Å; V7-T38 HydrophobicContact CG2-CG2 4.35Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 3.37Å; A35-T38 PolarHBondContact O-N 2.94Å; A35-T38 VanDerWaalsContact O-N 3.13Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.49Å; T38-K40 PolarHBondContact O-N 3.36Å; T38-R41 PolarHBondContact O-N 3.07Å; T38-I42 WeakPolarHBondContact O-CG1 3.23Å; T38-I42 PolarHBondContact O-N 3.48Å |
| 39 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.2 | -48 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | V7 T19 T22 L23 L26 A35 R41 I42 V43 | V7-V39 HydrophobicContact CG1-CB 4.27Å; V7-V39 HydrophobicContact CG1-CG1 4.35Å; V7-V39 HydrophobicContact CG1-CG2 4.02Å; V7-V39 HydrophobicContact CG2-CG2 4.15Å; T19-V39 HydrophobicContact CG2-CB 4.31Å; T19-V39 HydrophobicContact CG2-CG1 3.97Å; T22-V39 HydrophobicContact CG2-CG1 3.84Å; L23-V39 HydrophobicContact CD1-CG2 4.3Å; L26-V39 HydrophobicContact CD1-CG2 3.6Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.16Å; A35-V39 PolarHBondContact O-N 3.46Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 2.98Å; V39-I42 PolarHBondContact O-N 3.02Å; V39-V43 HydrophobicContact CG1-CG2 3.98Å; V39-V43 WeakPolarHBondContact O-CB 3.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 2.78Å; V39-V43 PolarHBondContact O-N 3.03Å |
| 40 | K | 97.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 39% | 0.391 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 178 | -173 | 173.6 | 179.6 | 175 | 0 | 112 | T19 R36 T38 R44 | T19-K40 HydrophobicContact CG2-CB 3.9Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 PolarHBondContact O-N 3.35Å; T38-K40 PolarHBondContact O-N 3.36Å; K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CG 3.4Å; K40-R44 PolarHBondContact O-N 3.11Å |
| 41 | R | 97.1 | Very high | 95.8 | Very high | 123 Ų | 123 | 86.5 Ų | 86.5 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.6 | 178.3 | 176.6 | 57 | 81.4 | 1.4 | 111.5 | D4 S37 T38 V39 A45 | D4-R41 VanDerWaalsContact CG-NH2 3.33Å; D4-R41 IonicContact OD1-CZ 3.51Å; D4-R41 IonicContact OD1-NH1 2.91Å; D4-R41 IonicContact OD1-NH2 3.15Å; D4-R41 PolarHBondContact OD1-NH2 3.17Å; D4-R41 IonicContact OD2-CZ 3.76Å; D4-R41 IonicContact OD2-NH1 3.86Å; D4-R41 PolarHBondContact OD2-NH1 3.23Å; D4-R41 IonicContact OD2-NH2 2.76Å; D4-R41 PolarHBondContact OD2-NH2 3.2Å; D4-R41 VanDerWaalsContact OD2-NH2 3.15Å; S37-R41 WeakPolarHBondContact O-CB 3.29Å; S37-R41 PolarHBondContact O-N 3.39Å; T38-R41 PolarHBondContact O-N 3.07Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 2.98Å; R41-A45 WeakPolarHBondContact O-CB 3.29Å; R41-A45 PolarHBondContact O-N 3.2Å |
| 42 | I | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 84.3 Ų | 84.3 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.3 | -46.5 | -178.1 | -61.6 | -62.2 | 0 | 0 | 0 | 111.6 | D4 V7 K8 T38 V39 R44 A45 C46 | D4-I42 HydrophobicContact CB-CD1 3.87Å; V7-I42 HydrophobicContact CB-CB 4.41Å; V7-I42 HydrophobicContact CB-CG1 4.22Å; V7-I42 HydrophobicContact CB-CG2 4.34Å; V7-I42 HydrophobicContact CG1-CB 3.59Å; V7-I42 HydrophobicContact CG1-CG1 3.86Å; V7-I42 HydrophobicContact CG1-CG2 3.72Å; K8-I42 HydrophobicContact CB-CG2 4.09Å; T38-I42 WeakPolarHBondContact O-CG1 3.23Å; T38-I42 PolarHBondContact O-N 3.48Å; V39-I42 PolarHBondContact O-N 3.02Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.11Å; I42-A45 PolarHBondContact O-N 3.22Å; I42-A45 VanDerWaalsContact O-N 3.11Å; I42-C46 PolarHBondContact O-N 2.94Å |
| 43 | V | 96.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 86.9 Ų | 86.9 | 9% | 0.085 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | V39 A45 C46 C49 | V39-V43 HydrophobicContact CG1-CG2 3.98Å; V39-V43 WeakPolarHBondContact O-CB 3.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 2.78Å; V39-V43 PolarHBondContact O-N 3.03Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 2.89Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; V43-C49 HydrophobicContact CG1-CB 4.26Å; V43-C49 VanDerWaalsContact O-CB 3.29Å; V43-C49 WeakPolarHBondContact O-CB 3.45Å |
| 44 | R | 95.9 | Very high | 95.7 | Very high | 167 Ų | 167 | 83.8 Ų | 83.8 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.3 | -27.3 | 175.3 | -78.2 | -179.5 | 170.6 | -170.3 | -8.2 | 113.5 | K40 I42 K50 | K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CG 3.4Å; K40-R44 PolarHBondContact O-N 3.11Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.11Å; R44-K50 WeakPolarHBondContact O-CE 3.17Å; R44-K50 WeakPolarHBondContact O-CG 3.45Å |
| 45 | A | 96.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 80.1 Ų | 80.1 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -80.8 | -23.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | R41 I42 V43 V47 | R41-A45 WeakPolarHBondContact O-CB 3.29Å; R41-A45 PolarHBondContact O-N 3.2Å; I42-A45 PolarHBondContact O-N 3.22Å; I42-A45 VanDerWaalsContact O-N 3.11Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 2.89Å; A45-V47 PolarHBondContact O-N 3.37Å |
| 46 | C | 97.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 85.2 Ų | 85.2 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | trans | -63.8 | 123.5 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | H16 I42 V43 I48 C49 K50 | H16-C46 PolarHBondContact ND1-SG 3.4Å; I42-C46 PolarHBondContact O-N 2.94Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; C46-I48 VanDerWaalsContact C-N 3.3Å; C46-I48 PolarHBondContact O-N 3.27Å; C46-C49 HydrophobicContact CB-CB 3.94Å; C46-C49 PolarHBondContact O-N 3.1Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C46-K50 WeakPolarHBondContact O-CG 3.35Å; C46-K50 PolarHBondContact O-N 3.24Å | ||
| 47 | V | 96.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 86.4 Ų | 86.4 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | -176.9 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | A45 K50 R51 | A45-V47 PolarHBondContact O-N 3.37Å; V47-K50 PolarHBondContact O-N 3.43Å; V47-R51 WeakPolarHBondContact O-CG 3.34Å; V47-R51 PolarHBondContact O-N 2.96Å |
| 48 | I | 97.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 88.9 Ų | 88.9 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -49 | 179.9 | -62.7 | 170.1 | 0 | 0 | 0 | 109.8 | H16 C46 K50 R51 F52 | H16-I48 HydrophobicContact CB-CG2 4.32Å; H16-I48 WeakPolarHBondContact CD2-CG2 3.21Å; H16-I48 WeakPolarHBondContact NE2-CD1 3.2Å; C46-I48 VanDerWaalsContact C-N 3.3Å; C46-I48 PolarHBondContact O-N 3.27Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 2.83Å; I48-R51 PolarHBondContact O-N 3.43Å; I48-R51 VanDerWaalsContact O-N 3.15Å; I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact O-CD2 3.23Å; I48-F52 WeakPolarHBondContact O-CD2 2.9Å; I48-F52 PolarHBondContact O-N 3.03Å |
| 49 | C | 97 | Very high | 94 | Very high | 15 Ų | 15 | 94.8 Ų | 94.8 | 10% | 0.101 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 173.6 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | V43 C46 F52 A53 | V43-C49 HydrophobicContact CG1-CB 4.26Å; V43-C49 VanDerWaalsContact O-CB 3.29Å; V43-C49 WeakPolarHBondContact O-CB 3.45Å; C46-C49 HydrophobicContact CB-CB 3.94Å; C46-C49 PolarHBondContact O-N 3.1Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C49-F52 PolarHBondContact O-N 3.15Å; C49-A53 WeakPolarHBondContact O-CB 3.45Å; C49-A53 PolarHBondContact O-N 2.98Å |
| 50 | K | 95.8 | Very high | 93.6 | Very high | 121 Ų | 121 | 103.8 Ų | 103.8 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.4 | -76.9 | -177.8 | -177.5 | -176.3 | 0 | 112.5 | R44 C46 V47 I48 A53 S54 | R44-K50 WeakPolarHBondContact O-CE 3.17Å; R44-K50 WeakPolarHBondContact O-CG 3.45Å; C46-K50 WeakPolarHBondContact O-CG 3.35Å; C46-K50 PolarHBondContact O-N 3.24Å; V47-K50 PolarHBondContact O-N 3.43Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 2.83Å; K50-A53 PolarHBondContact O-N 3.33Å; K50-S54 WeakPolarHBondContact O-CB 3.28Å; K50-S54 PolarHBondContact O-N 3.38Å |
| 51 | R | 94.6 | Very high | 93.3 | Very high | 188 Ų | 188 | 105.8 Ų | 105.8 | 71% | 0.709 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 178 | -74.3 | 176.4 | -178.7 | -172.9 | 0.6 | 112.2 | V47 I48 S54 | V47-R51 WeakPolarHBondContact O-CG 3.34Å; V47-R51 PolarHBondContact O-N 2.96Å; I48-R51 PolarHBondContact O-N 3.43Å; I48-R51 VanDerWaalsContact O-N 3.15Å; R51-S54 PolarHBondContact O-OG 2.9Å |
| 52 | F | 92.8 | Very high | 93 | Very high | 171 Ų | 171 | 104 Ų | 104 | 75% | 0.75 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.1 | -31 | 176.8 | -75.2 | -67.9 | 0 | 0 | 0 | 113 | I48 C49 | I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact O-CD2 3.23Å; I48-F52 WeakPolarHBondContact O-CD2 2.9Å; I48-F52 PolarHBondContact O-N 3.03Å; C49-F52 PolarHBondContact O-N 3.15Å |
| 53 | A | 91.7 | Very high | 92.7 | Very high | 82 Ų | 82 | 108.5 Ų | 108.5 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -83.9 | -10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C49 K50 S55 | C49-A53 WeakPolarHBondContact O-CB 3.45Å; C49-A53 PolarHBondContact O-N 2.98Å; K50-A53 PolarHBondContact O-N 3.33Å; A53-S55 PolarHBondContact O-N 3.35Å |
| 54 | S | 91.2 | Very high | 92.2 | Very high | 80 Ų | 80 | 114 Ų | 114 | 56% | 0.559 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124.9 | 179.9 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | K50 R51 | K50-S54 WeakPolarHBondContact O-CB 3.28Å; K50-S54 PolarHBondContact O-N 3.38Å; R51-S54 PolarHBondContact O-OG 2.9Å |
| 55 | S | 88 | Confident | 91.7 | Very high | 103 Ų | 103 | 109.9 Ų | 109.9 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 151.1 | 170 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | A53 F57 | A53-S55 PolarHBondContact O-N 3.35Å; S55-F57 PolarHBondContact O-N 3.37Å |
| 56 | P | 87.5 | Confident | 91.2 | Very high | 121 Ų | 121 | 113 Ų | 113 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 139.4 | 168.5 | -24.6 | 33.9 | 0 | 0 | 0 | 110.4 | V58 | P56-V58 PolarHBondContact O-N 3.5Š|
| 57 | F | 88.2 | Confident | 90.4 | Very high | 174 Ų | 174 | 116.4 Ų | 116.4 | 76% | 0.763 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.2 | 173.7 | -176.3 | -99 | 0 | 0 | 0 | 108.9 | S55 Q59 | S55-F57 PolarHBondContact O-N 3.37Å; F57-Q59 PolarHBondContact O-N 2.95Å |
| 58 | V | 89.3 | Confident | 89.5 | Confident | 123 Ų | 123 | 114.5 Ų | 114.5 | 75% | 0.745 | 63% | 0.627 | S | S | * | * | trans | -76.6 | 111.5 | 169.3 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | P56 K60 | P56-V58 PolarHBondContact O-N 3.5Å; V58-K60 PolarHBondContact O-N 3.43Å; V58-K60 VanDerWaalsContact O-N 3.1Å | ||
| 59 | Q | 89.6 | Confident | 88.8 | Confident | 147 Ų | 147 | 116.4 Ų | 116.4 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | trans | -58.2 | 116.8 | 179 | -172.5 | 178 | 16.4 | 0 | 0 | 109.7 | F57 I61 | F57-Q59 PolarHBondContact O-N 2.95Å; Q59-I61 HydrophobicContact CG-CG1 4.04Å; Q59-I61 PolarHBondContact O-N 2.9Å | ||
| 60 | K | 89.4 | Confident | 88.3 | Confident | 189 Ų | 189 | 118.1 Ų | 118.1 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | trans | -79.9 | 109.8 | 166.9 | -66.1 | -175.8 | -179.8 | -177.9 | 0 | 107.6 | V58 | V58-K60 PolarHBondContact O-N 3.43Å; V58-K60 VanDerWaalsContact O-N 3.1Å | ||
| 61 | I | 91 | Very high | 87.9 | Confident | 133 Ų | 133 | 121.5 Ų | 121.5 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 126.9 | 176.9 | -57.3 | 175.2 | 0 | 0 | 0 | 107.3 | Q59 | Q59-I61 HydrophobicContact CG-CG1 4.04Å; Q59-I61 PolarHBondContact O-N 2.9Å |
| 62 | A | 90.1 | Very high | 87.8 | Confident | 84 Ų | 84 | 113.4 Ų | 113.4 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 164.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | L64 | A62-L64 PolarHBondContact O-N 3.43Š|
| 63 | S | 90.4 | Very high | 87.8 | Confident | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 141.6 | 169.5 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 64 | L | 86.6 | Confident | 88 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.4 | 176.6 | -68.9 | 170.6 | 0 | 0 | 0 | 109.7 | A62 E66 I69 | A62-L64 PolarHBondContact O-N 3.43Å; L64-E66 PolarHBondContact O-N 2.98Å; L64-I69 HydrophobicContact CB-CG2 4.4Å; L64-I69 HydrophobicContact CD1-CG2 4.36Å |
| 65 | P | 85.5 | Confident | 88.1 | Confident | 81 Ų | 81 | 113.5 Ų | 113.5 | 53% | 0.526 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 136.1 | 175.3 | 23.1 | -31.3 | 0 | 0 | 0 | 109.9 | E67 G68 | P65-E67 WeakPolarHBondContact CB-OE2 3.11Å; P65-E67 PolarHBondContact O-N 3Å; P65-E67 VanDerWaalsContact O-N 3.17Å; P65-G68 PolarHBondContact O-N 3.26Å |
| 66 | E | 86 | Confident | 88.4 | Confident | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -58.5 | -31.3 | -179 | -169.9 | 177 | 171.1 | 0 | 0 | 111.1 | L64 G68 I69 T70 R77 | L64-E66 PolarHBondContact O-N 2.98Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-G68 VanDerWaalsContact O-N 3.12Å; E66-I69 WeakPolarHBondContact O-CG1 3.17Å; E66-I69 PolarHBondContact O-N 3.17Å; E66-T70 HydrophobicContact CG-CG2 3.54Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 2.98Å; E66-R77 PolarHBondContact O-NH1 3.01Å |
| 67 | E | 80.4 | Confident | 88.6 | Confident | 99 Ų | 99 | 111 Ų | 111 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -53.9 | -32.1 | 176.7 | -63.9 | 80.3 | -174.1 | 0 | 0 | 112.5 | P65 R77 M105 | P65-E67 WeakPolarHBondContact CB-OE2 3.11Å; P65-E67 PolarHBondContact O-N 3Å; P65-E67 VanDerWaalsContact O-N 3.17Å; E67-R77 VanDerWaalsContact C-NH1 3.3Å; E67-R77 VanDerWaalsContact CA-NH1 3.25Å; E67-R77 WeakPolarHBondContact O-CD 3.34Å; E67-R77 PolarHBondContact O-NH1 3.47Å; E67-M105 HydrophobicContact CB-SD 4.22Å |
| 68 | G | 77.5 | Confident | 88.9 | Confident | 48 Ų | 48 | 105 Ų | 105 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -90.7 | -6.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P65 E66 | P65-G68 PolarHBondContact O-N 3.26Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-G68 VanDerWaalsContact O-N 3.12Å |
| 69 | I | 82.7 | Confident | 89.1 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -23.4 | -172.7 | 56.6 | 170.8 | 0 | 0 | 0 | 114.5 | L64 E66 | L64-I69 HydrophobicContact CB-CG2 4.4Å; L64-I69 HydrophobicContact CD1-CG2 4.36Å; E66-I69 WeakPolarHBondContact O-CG1 3.17Å; E66-I69 PolarHBondContact O-N 3.17Å |
| 70 | T | 87 | Confident | 89.4 | Confident | 50 Ų | 50 | 97.4 Ų | 97.4 | 31% | 0.307 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -89.1 | 149.6 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 112 | E66 R77 | E66-T70 HydrophobicContact CG-CG2 3.54Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 2.98Å; T70-R77 PolarHBondContact O-NH1 2.79Å; T70-R77 VanDerWaalsContact O-NH1 3.07Å; T70-R77 PolarHBondContact OG1-NH1 3.31Å; T70-R77 PolarHBondContact OG1-NH2 3.07Å |
| 71 | Q | 86.5 | Confident | 89.7 | Confident | 192 Ų | 192 | 93.5 Ų | 93.5 | 90% | 0.897 | 52% | 0.52 | S | S | * | . | trans | -65.6 | 138 | 177 | -67.1 | -178.1 | -21.8 | 0 | 0 | 110.2 | ||||
| 72 | A | 91.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 91 Ų | 91 | 16% | 0.157 | 50% | 0.504 | C | S | . | . | trans | -149 | 163.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | E76 R77 T106 | A72-E76 HydrophobicContact CB-CB 4.14Å; A72-E76 HydrophobicContact CB-CG 4.35Å; A72-R77 HydrophobicContact CB-CG 4.31Å; A72-T106 WeakPolarHBondContact O-CG2 3.39Å; A72-T106 PolarHBondContact O-OG1 2.84Å | ||
| 73 | F | 94.8 | Very high | 90.1 | Very high | 162 Ų | 162 | 89 Ų | 89 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | trans | -68.2 | 156.5 | 172.6 | -68.9 | -78.4 | 0 | 0 | 0 | 111.1 | F75 E76 T106 | F73-F75 PolarHBondContact O-N 2.7Å; F73-E76 HydrophobicContact CB-CB 4.33Å; F73-E76 WeakPolarHBondContact CD2-OE2 3.11Å; F73-E76 PolarHBondContact N-OE2 2.89Å; F73-E76 VanDerWaalsContact O-CB 3.23Å; F73-E76 WeakPolarHBondContact O-CB 3Å; F73-E76 PolarHBondContact O-N 3.17Å; F73-E76 VanDerWaalsContact O-N 3.14Å; F73-T106 PolarHBondContact O-OG1 2.94Å | ||
| 74 | P | 94.2 | Very high | 90.2 | Very high | 75 Ų | 75 | 85.5 Ų | 85.5 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 133.8 | 172.8 | -27.2 | 35.9 | 0 | 0 | 0 | 111.8 | E76 I107 | P74-E76 PolarHBondContact O-N 2.96Å; P74-E76 VanDerWaalsContact O-N 3.15Å; P74-I107 HydrophobicContact CB-CD1 4.01Å; P74-I107 HydrophobicContact CB-CG1 4.37Å; P74-I107 HydrophobicContact CG-CD1 4.33Å; P74-I107 HydrophobicContact CG-CG2 4.43Å |
| 75 | F | 93.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 82.3 Ų | 82.3 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 2.2 | -177 | -60 | -81.6 | 0 | 0 | 0 | 117 | F73 R77 T78 C104 A109 H111 | F73-F75 PolarHBondContact O-N 2.7Å; F75-R77 PolarHBondContact O-N 3.46Å; F75-T78 WeakPolarHBondContact CA-OG1 3.23Å; F75-T78 PolarHBondContact O-OG1 3.5Å; F75-C104 HydrophobicContact CD1-CB 3.85Å; F75-C104 HydrophobicContact CE1-CB 3.9Å; F75-C104 HydrophobicContact CG-CB 4.24Å; F75-C104 HydrophobicContact CZ-CB 4.33Å; F75-C104 PolarHBondContact N-SG 2.76Å; F75-A109 HydrophobicContact CE2-CB 4.47Å; F75-A109 HydrophobicContact CZ-CB 3.98Å; F75-H111 HydrophobicContact CE1-CB 4.31Å |
| 76 | E | 94.3 | Very high | 91 | Very high | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.3 | 172 | -173.7 | 178.9 | 162.8 | 0 | 0 | 111.5 | A72 F73 P74 | A72-E76 HydrophobicContact CB-CB 4.14Å; A72-E76 HydrophobicContact CB-CG 4.35Å; F73-E76 HydrophobicContact CB-CB 4.33Å; F73-E76 WeakPolarHBondContact CD2-OE2 3.11Å; F73-E76 PolarHBondContact N-OE2 2.89Å; F73-E76 VanDerWaalsContact O-CB 3.23Å; F73-E76 WeakPolarHBondContact O-CB 3Å; F73-E76 PolarHBondContact O-N 3.17Å; F73-E76 VanDerWaalsContact O-N 3.14Å; P74-E76 PolarHBondContact O-N 2.96Å; P74-E76 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 92.8 | Very high | 91.4 | Very high | 53 Ų | 53 | 84.3 Ų | 84.3 | 20% | 0.2 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -123.3 | 111.9 | 173.6 | -61.2 | 176.7 | -175.2 | 168.1 | 0.2 | 108.9 | E66 E67 T70 A72 F75 M105 | E66-R77 PolarHBondContact O-NH1 3.01Å; E67-R77 VanDerWaalsContact C-NH1 3.3Å; E67-R77 VanDerWaalsContact CA-NH1 3.25Å; E67-R77 WeakPolarHBondContact O-CD 3.34Å; E67-R77 PolarHBondContact O-NH1 3.47Å; T70-R77 PolarHBondContact O-NH1 2.79Å; T70-R77 VanDerWaalsContact O-NH1 3.07Å; T70-R77 PolarHBondContact OG1-NH1 3.31Å; T70-R77 PolarHBondContact OG1-NH2 3.07Å; A72-R77 HydrophobicContact CB-CG 4.31Å; F75-R77 PolarHBondContact O-N 3.46Å; R77-M105 HydrophobicContact CB-CB 4.03Å; R77-M105 HydrophobicContact CB-CG 4.37Å; R77-M105 HydrophobicContact CB-SD 4.14Å; R77-M105 PolarHBondContact O-N 2.94Å |
| 78 | T | 93.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 29% | 0.288 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125 | -172.4 | -62.2 | 0 | 0 | 0 | 0 | 110 | F75 F102 T103 | F75-T78 WeakPolarHBondContact CA-OG1 3.23Å; F75-T78 PolarHBondContact O-OG1 3.5Å; T78-F102 HydrophobicContact CG2-CB 3.83Å; T78-F102 HydrophobicContact CG2-CD1 4.23Å; T78-T103 CarbonylContact C-O 3.54Å; T78-T103 VanDerWaalsContact CA-O 3.31Å; T78-T103 WeakPolarHBondContact CA-O 3.44Å |
| 79 | G | 93.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 87.9 Ų | 87.9 | 25% | 0.247 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 137.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F102 T103 | G79-F102 CarbonylContact O-C 3.57Å; G79-F102 WeakPolarHBondContact O-CA 3.48Å; G79-T103 PolarHBondContact N-O 2.85Å; G79-T103 PolarHBondContact O-N 2.84Å |
| 80 | V | 95.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 88.6 Ų | 88.6 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.8 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | L101 F102 | V80-L101 CarbonylContact C-O 3.6Å; V80-L101 VanDerWaalsContact CA-O 3.31Å; V80-L101 WeakPolarHBondContact CA-O 3.5Å; V80-F102 HydrophobicContact CG1-CD1 4.44Å; V80-F102 HydrophobicContact CG1-CE1 4.22Å; V80-F102 HydrophobicContact CG2-CD1 3.75Å; V80-F102 HydrophobicContact CG2-CE1 3.95Å |
| 81 | D | 95.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 89 Ų | 89 | 57% | 0.572 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 168 | 176.1 | -165.3 | 14.8 | 0 | 0 | 0 | 110.5 | C100 L101 | D81-C100 CarbonylContact O-C 3.59Å; D81-L101 HydrophobicContact CB-CB 4.48Å; D81-L101 HydrophobicContact CB-CD1 4.4Å; D81-L101 PolarHBondContact N-O 3.14Å; D81-L101 PolarHBondContact O-N 2.86Å |
| 82 | F | 95.7 | Very high | 93.7 | Very high | 79 Ų | 79 | 90.1 Ų | 90.1 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.5 | 175.2 | -74 | -85.5 | 0 | 0 | 0 | 111.5 | V99 C100 V115 M118 | F82-V99 CarbonylContact C-O 3.56Å; F82-V99 WeakPolarHBondContact CA-O 3.37Å; F82-C100 HydrophobicContact CD1-CB 4.03Å; F82-C100 HydrophobicContact CE1-CB 3.56Å; F82-C100 HydrophobicContact CZ-CB 4.18Å; F82-V115 HydrophobicContact CD1-CG2 4.12Å; F82-V115 HydrophobicContact CE1-CG2 3.67Å; F82-M118 HydrophobicContact CD1-CG 4.29Å; F82-M118 HydrophobicContact CG-CG 4.39Å |
| 83 | A | 95.3 | Very high | 93.7 | Very high | 43 Ų | 43 | 93.5 Ų | 93.5 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y98 V99 L101 | A83-Y98 CarbonylContact O-C 3.57Å; A83-Y98 WeakPolarHBondContact O-CA 3.31Å; A83-V99 HydrophobicContact CB-CB 4.38Å; A83-V99 PolarHBondContact N-O 3.35Å; A83-V99 PolarHBondContact O-N 2.97Å; A83-L101 HydrophobicContact CB-CD1 3.74Å; A83-L101 VanDerWaalsContact N-CD1 3.27Å |
| 84 | G | 92.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 89.6 Ų | 89.6 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -168.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 85 | P | 93.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 90.2 Ų | 90.2 | 41% | 0.409 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -73.2 | 144.5 | 3.6 | 29.7 | -34.7 | 0 | 0 | 0 | 113.7 | K96 A97 Y98 | P85-K96 HydrophobicContact CB-CD 4.08Å; P85-K96 HydrophobicContact CB-CG 3.64Å; P85-A97 CarbonylContact C-O 3.58Å; P85-A97 WeakPolarHBondContact CA-O 3.5Å; P85-Y98 HydrophobicContact CB-CD1 4.45Å; P85-Y98 HydrophobicContact CB-CE1 3.92Å |
| 86 | L | 94.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 150.1 | 165 | -59.3 | 178.5 | 0 | 0 | 0 | 109.2 | K96 A97 V99 | L86-K96 CarbonylContact O-C 3.59Å; L86-K96 WeakPolarHBondContact O-CA 3.31Å; L86-A97 PolarHBondContact N-O 2.76Å; L86-A97 PolarHBondContact O-N 2.95Å; L86-V99 HydrophobicContact CD1-CG2 3.65Å |
| 87 | Y | 95.3 | Very high | 93.8 | Very high | 167 Ų | 167 | 84.7 Ų | 84.7 | 66% | 0.655 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 103.7 | 171.8 | -73.3 | -89.7 | 0 | 0 | 0 | 108.9 | K95 K96 | Y87-K95 CarbonylContact C-O 3.4Å; Y87-K95 WeakPolarHBondContact CA-O 3.37Å; Y87-K96 HydrophobicContact CE1-CB 4.45Å |
| 88 | V | 93.4 | Very high | 94 | Very high | 32 Ų | 32 | 83.4 Ų | 83.4 | 19% | 0.194 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 145 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | Y90 S94 K95 A97 L114 M116 | V88-Y90 PolarHBondContact O-N 2.81Å; V88-S94 CarbonylContact O-C 3.6Å; V88-S94 WeakPolarHBondContact O-CA 3.3Å; V88-K95 PolarHBondContact N-O 3.15Å; V88-K95 PolarHBondContact O-N 3.37Å; V88-A97 HydrophobicContact CG1-CB 4.05Å; V88-A97 HydrophobicContact CG2-CB 3.73Å; V88-L114 HydrophobicContact CG1-CD1 3.99Å; V88-L114 HydrophobicContact CG1-CD2 4.21Å; V88-M116 HydrophobicContact CG2-CE 4.42Å |
| 89 | K | 94.1 | Very high | 94.2 | Very high | 189 Ų | 189 | 82.4 Ų | 82.4 | 82% | 0.822 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 122.2 | 174.5 | -174.1 | 177.7 | -179.6 | -179.9 | 0 | 109.2 | G91 | K89-G91 VanDerWaalsContact CE-O 3.31Å; K89-G91 WeakPolarHBondContact CE-O 3.44Å |
| 90 | Y | 90.3 | Very high | 94.3 | Very high | 126 Ų | 126 | 81.5 Ų | 81.5 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 89.7 | 175.6 | -165.7 | -87.7 | 0 | 0 | 0 | 108.9 | V88 K92 C93 K95 | V88-Y90 PolarHBondContact O-N 2.81Å; Y90-K92 PolarHBondContact O-N 3.31Å; Y90-C93 CarbonylContact C-O 3.59Å; Y90-C93 WeakPolarHBondContact CA-O 3.44Å; Y90-C93 PolarHBondContact N-O 3.19Å; Y90-C93 PolarHBondContact O-N 2.79Å; Y90-C93 VanDerWaalsContact O-N 3.14Å; Y90-C93 VanDerWaalsContact O-O 3.06Å; Y90-K95 HydrophobicContact CD1-CD 3.75Å; Y90-K95 HydrophobicContact CD1-CG 4.38Å; Y90-K95 HydrophobicContact CD2-CD 3.85Å; Y90-K95 HydrophobicContact CE1-CD 4.28Å; Y90-K95 HydrophobicContact CE2-CD 4.35Å; Y90-K95 HydrophobicContact CG-CD 3.51Å; Y90-K95 HydrophobicContact CG-CG 4.01Å |
| 91 | G | 90.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 60% | 0.598 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -120 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K89 | K89-G91 VanDerWaalsContact CE-O 3.31Å; K89-G91 WeakPolarHBondContact CE-O 3.44Å |
| 92 | K | 92.9 | Very high | 94.5 | Very high | 217 Ų | 217 | 76.8 Ų | 76.8 | 94% | 0.943 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.4 | 177.6 | -65 | -176.1 | -179.4 | 179.1 | 0 | 113.6 | Y90 | Y90-K92 PolarHBondContact O-N 3.31Š|
| 93 | C | 92.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 75.5 Ų | 75.5 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 163.3 | -178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | Y90 | Y90-C93 CarbonylContact C-O 3.59Å; Y90-C93 WeakPolarHBondContact CA-O 3.44Å; Y90-C93 PolarHBondContact N-O 3.19Å; Y90-C93 PolarHBondContact O-N 2.79Å; Y90-C93 VanDerWaalsContact O-N 3.14Å; Y90-C93 VanDerWaalsContact O-O 3.06Å |
| 94 | S | 94 | Very high | 94.4 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 57% | 0.566 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.1 | 162.2 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | V88 | V88-S94 CarbonylContact O-C 3.6Å; V88-S94 WeakPolarHBondContact O-CA 3.3Å |
| 95 | K | 94.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 75.3 Ų | 75.3 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.6 | 171.8 | -77.7 | -170.5 | -179.5 | 179.1 | 0 | 110 | Y87 V88 Y90 | Y87-K95 CarbonylContact C-O 3.4Å; Y87-K95 WeakPolarHBondContact CA-O 3.37Å; V88-K95 PolarHBondContact N-O 3.15Å; V88-K95 PolarHBondContact O-N 3.37Å; Y90-K95 HydrophobicContact CD1-CD 3.75Å; Y90-K95 HydrophobicContact CD1-CG 4.38Å; Y90-K95 HydrophobicContact CD2-CD 3.85Å; Y90-K95 HydrophobicContact CE1-CD 4.28Å; Y90-K95 HydrophobicContact CE2-CD 4.35Å; Y90-K95 HydrophobicContact CG-CD 3.51Å; Y90-K95 HydrophobicContact CG-CG 4.01Å |
| 96 | K | 95.6 | Very high | 94.1 | Very high | 100 Ų | 100 | 74.8 Ų | 74.8 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.8 | 171.1 | -169 | -178.1 | -177 | -173.5 | 0 | 108.6 | P85 L86 Y87 Y98 | P85-K96 HydrophobicContact CB-CD 4.08Å; P85-K96 HydrophobicContact CB-CG 3.64Å; L86-K96 CarbonylContact O-C 3.59Å; L86-K96 WeakPolarHBondContact O-CA 3.31Å; Y87-K96 HydrophobicContact CE1-CB 4.45Å; K96-Y98 WeakPolarHBondContact CE-OH 3.34Å; K96-Y98 PolarHBondContact NZ-OH 2.79Å |
| 97 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 167.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P85 L86 V88 L114 V115 M116 | P85-A97 CarbonylContact C-O 3.58Å; P85-A97 WeakPolarHBondContact CA-O 3.5Å; L86-A97 PolarHBondContact N-O 2.76Å; L86-A97 PolarHBondContact O-N 2.95Å; V88-A97 HydrophobicContact CG1-CB 4.05Å; V88-A97 HydrophobicContact CG2-CB 3.73Å; A97-L114 HydrophobicContact CB-CD1 3.75Å; A97-L114 HydrophobicContact CB-CG 4.23Å; A97-V115 CarbonylContact C-O 3.58Å; A97-V115 VanDerWaalsContact CA-O 3.25Å; A97-V115 WeakPolarHBondContact CA-O 3.31Å; A97-V115 WeakPolarHBondContact CB-O 3.44Å; A97-M116 HydrophobicContact CB-SD 4.19Å |
| 98 | Y | 97 | Very high | 93.8 | Very high | 26 Ų | 26 | 78 Ų | 78 | 10% | 0.102 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.3 | 172.4 | -55.6 | -96.7 | 0 | 0 | 0 | 108.4 | A83 P85 K96 V115 M118 | A83-Y98 CarbonylContact O-C 3.57Å; A83-Y98 WeakPolarHBondContact O-CA 3.31Å; P85-Y98 HydrophobicContact CB-CD1 4.45Å; P85-Y98 HydrophobicContact CB-CE1 3.92Å; K96-Y98 WeakPolarHBondContact CE-OH 3.34Å; K96-Y98 PolarHBondContact NZ-OH 2.79Å; Y98-V115 PolarHBondContact N-O 3.28Å; Y98-V115 PolarHBondContact O-N 2.83Å; Y98-M118 HydrophobicContact CD1-CG 4.18Å; Y98-M118 HydrophobicContact CD1-SD 3.89Å; Y98-M118 HydrophobicContact CD2-CG 3.77Å; Y98-M118 HydrophobicContact CD2-SD 4.46Å; Y98-M118 HydrophobicContact CE1-CE 4.23Å; Y98-M118 HydrophobicContact CE1-CG 4.25Å; Y98-M118 HydrophobicContact CE1-SD 3.67Å; Y98-M118 HydrophobicContact CE2-CG 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.25Å; Y98-M118 HydrophobicContact CG-CG 3.93Å; Y98-M118 HydrophobicContact CG-SD 4.27Å |
| 99 | V | 96.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 78 Ų | 78 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115.9 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 107 | F82 A83 L86 L101 L112 E113 L114 | F82-V99 CarbonylContact C-O 3.56Å; F82-V99 WeakPolarHBondContact CA-O 3.37Å; A83-V99 HydrophobicContact CB-CB 4.38Å; A83-V99 PolarHBondContact N-O 3.35Å; A83-V99 PolarHBondContact O-N 2.97Å; L86-V99 HydrophobicContact CD1-CG2 3.65Å; V99-L101 VanDerWaalsContact O-CD1 3.3Å; V99-L101 WeakPolarHBondContact O-CD1 3.45Å; V99-L112 HydrophobicContact CG1-CB 3.82Å; V99-L112 HydrophobicContact CG1-CD2 3.74Å; V99-L112 HydrophobicContact CG1-CG 4.22Å; V99-E113 CarbonylContact C-O 3.5Å; V99-E113 VanDerWaalsContact CA-O 3.32Å; V99-E113 WeakPolarHBondContact CA-O 3.32Å; V99-L114 HydrophobicContact CG2-CD1 4.4Å |
| 100 | C | 96.8 | Very high | 94 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122.7 | 166.3 | -165.8 | 0 | 0 | 0 | 0 | 108.2 | D81 F82 F102 L112 E113 V115 | D81-C100 CarbonylContact O-C 3.59Å; F82-C100 HydrophobicContact CD1-CB 4.03Å; F82-C100 HydrophobicContact CE1-CB 3.56Å; F82-C100 HydrophobicContact CZ-CB 4.18Å; C100-F102 HydrophobicContact CB-CE2 3.93Å; C100-F102 HydrophobicContact CB-CZ 4.42Å; C100-F102 WeakPolarHBondContact SG-CE2 3.11Å; C100-F102 WeakPolarHBondContact SG-CZ 3.04Å; C100-L112 WeakPolarHBondContact O-CA 3.25Å; C100-E113 HydrophobicContact CB-CB 4.26Å; C100-E113 PolarHBondContact N-O 2.79Å; C100-E113 PolarHBondContact O-N 2.88Å; C100-V115 HydrophobicContact CB-CG1 4.29Å |
| 101 | L | 96.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117 | 178.5 | -57.9 | 96.7 | 0 | 0 | 0 | 109.2 | V80 D81 A83 V99 V110 L112 | V80-L101 CarbonylContact C-O 3.6Å; V80-L101 VanDerWaalsContact CA-O 3.31Å; V80-L101 WeakPolarHBondContact CA-O 3.5Å; D81-L101 HydrophobicContact CB-CB 4.48Å; D81-L101 HydrophobicContact CB-CD1 4.4Å; D81-L101 PolarHBondContact N-O 3.14Å; D81-L101 PolarHBondContact O-N 2.86Å; A83-L101 HydrophobicContact CB-CD1 3.74Å; A83-L101 VanDerWaalsContact N-CD1 3.27Å; V99-L101 VanDerWaalsContact O-CD1 3.3Å; V99-L101 WeakPolarHBondContact O-CD1 3.45Å; L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD2-CG1 4.39Å; L101-L112 HydrophobicContact CB-CD2 4.18Å; L101-L112 HydrophobicContact CD2-CD2 3.75Å; L101-L112 HydrophobicContact CG-CD2 3.65Å |
| 102 | F | 96.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 102.3 | 171.5 | -61.1 | -89.2 | 0 | 0 | 0 | 108.6 | T78 G79 V80 C100 V110 H111 E113 | T78-F102 HydrophobicContact CG2-CB 3.83Å; T78-F102 HydrophobicContact CG2-CD1 4.23Å; G79-F102 CarbonylContact O-C 3.57Å; G79-F102 WeakPolarHBondContact O-CA 3.48Å; V80-F102 HydrophobicContact CG1-CD1 4.44Å; V80-F102 HydrophobicContact CG1-CE1 4.22Å; V80-F102 HydrophobicContact CG2-CD1 3.75Å; V80-F102 HydrophobicContact CG2-CE1 3.95Å; C100-F102 HydrophobicContact CB-CE2 3.93Å; C100-F102 HydrophobicContact CB-CZ 4.42Å; C100-F102 WeakPolarHBondContact SG-CE2 3.11Å; C100-F102 WeakPolarHBondContact SG-CZ 3.04Å; F102-V110 CarbonylContact O-C 3.48Å; F102-V110 WeakPolarHBondContact O-CA 3.46Å; F102-H111 HydrophobicContact CB-CB 4.15Å; F102-H111 AromaticContact CD2-CD2 3.72Å; F102-H111 PolarHBondContact N-O 3.29Å; F102-H111 PolarHBondContact O-N 2.89Å; F102-E113 HydrophobicContact CE2-CB 4.19Å |
| 103 | T | 95.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114 | -177.1 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | T78 G79 M105 A109 V110 | T78-T103 CarbonylContact C-O 3.54Å; T78-T103 VanDerWaalsContact CA-O 3.31Å; T78-T103 WeakPolarHBondContact CA-O 3.44Å; G79-T103 PolarHBondContact N-O 2.85Å; G79-T103 PolarHBondContact O-N 2.84Å; T103-M105 PolarHBondContact O-N 2.82Å; T103-A109 CarbonylContact C-O 3.58Å; T103-A109 WeakPolarHBondContact CA-O 3.39Å; T103-V110 HydrophobicContact CG2-CG2 4.23Å |
| 104 | C | 93.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.9 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | F75 T106 I107 R108 A109 | F75-C104 HydrophobicContact CD1-CB 3.85Å; F75-C104 HydrophobicContact CE1-CB 3.9Å; F75-C104 HydrophobicContact CG-CB 4.24Å; F75-C104 HydrophobicContact CZ-CB 4.33Å; F75-C104 PolarHBondContact N-SG 2.76Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.78Å; C104-T106 PolarHBondContact SG-N 2.76Å; C104-I107 HydrophobicContact CB-CG1 4.18Å; C104-I107 VanDerWaalsContact SG-CG1 3.58Å; C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.8Å; C104-A109 HydrophobicContact CB-CB 4.27Å; C104-A109 PolarHBondContact N-O 2.82Å |
| 105 | M | 90.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 41% | 0.414 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -26.6 | 179.5 | -63.9 | -179.1 | 177.8 | 0 | 0 | 113 | E67 R77 T103 | E67-M105 HydrophobicContact CB-SD 4.22Å; R77-M105 HydrophobicContact CB-CB 4.03Å; R77-M105 HydrophobicContact CB-CG 4.37Å; R77-M105 HydrophobicContact CB-SD 4.14Å; R77-M105 PolarHBondContact O-N 2.94Å; T103-M105 PolarHBondContact O-N 2.82Å |
| 106 | T | 89.9 | Confident | 94.8 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -58.4 | 179.9 | -43.8 | 0 | 0 | 0 | 0 | 113.2 | A72 F73 C104 | A72-T106 WeakPolarHBondContact O-CG2 3.39Å; A72-T106 PolarHBondContact O-OG1 2.84Å; F73-T106 PolarHBondContact O-OG1 2.94Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.78Å; C104-T106 PolarHBondContact SG-N 2.76Å |
| 107 | I | 91.9 | Very high | 94.6 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 1.4 | -172.8 | 61.5 | 162.3 | 0 | 0 | 0 | 113.4 | P74 C104 A109 | P74-I107 HydrophobicContact CB-CD1 4.01Å; P74-I107 HydrophobicContact CB-CG1 4.37Å; P74-I107 HydrophobicContact CG-CD1 4.33Å; P74-I107 HydrophobicContact CG-CG2 4.43Å; C104-I107 HydrophobicContact CB-CG1 4.18Å; C104-I107 VanDerWaalsContact SG-CG1 3.58Å; I107-A109 HydrophobicContact CD1-CB 3.66Å; I107-A109 HydrophobicContact CG1-CB 3.82Å; I107-A109 PolarHBondContact O-N 3.21Å; I107-A109 VanDerWaalsContact O-N 3.17Å |
| 108 | R | 90.6 | Very high | 94.4 | Very high | 216 Ų | 216 | 70.3 Ų | 70.3 | 82% | 0.815 | 35% | 0.354 | S | S | * | . | trans | 58.7 | 21.6 | -177.1 | -55.2 | -176.3 | 177.9 | 164.7 | -0.3 | 114.7 | C104 | C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.8Å | ||
| 109 | A | 95.4 | Very high | 94 | Very high | 32 Ų | 32 | 73 Ų | 73 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | trans | -69.3 | 144.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | F75 T103 C104 I107 | F75-A109 HydrophobicContact CE2-CB 4.47Å; F75-A109 HydrophobicContact CZ-CB 3.98Å; T103-A109 CarbonylContact C-O 3.58Å; T103-A109 WeakPolarHBondContact CA-O 3.39Å; C104-A109 HydrophobicContact CB-CB 4.27Å; C104-A109 PolarHBondContact N-O 2.82Å; I107-A109 HydrophobicContact CD1-CB 3.66Å; I107-A109 HydrophobicContact CG1-CB 3.82Å; I107-A109 PolarHBondContact O-N 3.21Å; I107-A109 VanDerWaalsContact O-N 3.17Å | ||
| 110 | V | 97.2 | Very high | 93.2 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.4 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 109 | L101 F102 T103 L112 | L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD2-CG1 4.39Å; F102-V110 CarbonylContact O-C 3.48Å; F102-V110 WeakPolarHBondContact O-CA 3.46Å; T103-V110 HydrophobicContact CG2-CG2 4.23Å; V110-L112 HydrophobicContact CG1-CD2 3.59Å; V110-L112 HydrophobicContact CG1-CG 4.21Å |
| 111 | H | 97.2 | Very high | 91.9 | Very high | 103 Ų | 103 | 89.1 Ų | 89.1 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.2 | 168 | 175.5 | 74.8 | 0 | 0 | 0 | 108.9 | F75 F102 | F75-H111 HydrophobicContact CE1-CB 4.31Å; F102-H111 HydrophobicContact CB-CB 4.15Å; F102-H111 AromaticContact CD2-CD2 3.72Å; F102-H111 PolarHBondContact N-O 3.29Å; F102-H111 PolarHBondContact O-N 2.89Å |
| 112 | L | 97 | Very high | 91.7 | Very high | 104 Ų | 104 | 91.6 Ų | 91.6 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.7 | -175.4 | -60.7 | 178.3 | 0 | 0 | 0 | 109.6 | V99 C100 L101 V110 | V99-L112 HydrophobicContact CG1-CB 3.82Å; V99-L112 HydrophobicContact CG1-CD2 3.74Å; V99-L112 HydrophobicContact CG1-CG 4.22Å; C100-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 HydrophobicContact CB-CD2 4.18Å; L101-L112 HydrophobicContact CD2-CD2 3.75Å; L101-L112 HydrophobicContact CG-CD2 3.65Å; V110-L112 HydrophobicContact CG1-CD2 3.59Å; V110-L112 HydrophobicContact CG1-CG 4.21Å |
| 113 | E | 96.2 | Very high | 91.4 | Very high | 94 Ų | 94 | 93.5 Ų | 93.5 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.2 | 176.7 | -172.1 | 177.7 | 178.1 | 0 | 0 | 110.5 | V99 C100 F102 V115 | V99-E113 CarbonylContact C-O 3.5Å; V99-E113 VanDerWaalsContact CA-O 3.32Å; V99-E113 WeakPolarHBondContact CA-O 3.32Å; C100-E113 HydrophobicContact CB-CB 4.26Å; C100-E113 PolarHBondContact N-O 2.79Å; C100-E113 PolarHBondContact O-N 2.88Å; F102-E113 HydrophobicContact CE2-CB 4.19Å; E113-V115 HydrophobicContact CG-CG1 4.35Å |
| 114 | L | 94.5 | Very high | 91.2 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.9 | 176 | -174.6 | 75.6 | 0 | 0 | 0 | 109.8 | V88 A97 V99 M116 | V88-L114 HydrophobicContact CG1-CD1 3.99Å; V88-L114 HydrophobicContact CG1-CD2 4.21Å; A97-L114 HydrophobicContact CB-CD1 3.75Å; A97-L114 HydrophobicContact CB-CG 4.23Å; V99-L114 HydrophobicContact CG2-CD1 4.4Å; L114-M116 HydrophobicContact CD2-CE 4.47Å |
| 115 | V | 94.7 | Very high | 91 | Very high | 28 Ų | 28 | 101.4 Ų | 101.4 | 17% | 0.17 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.7 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | F82 A97 Y98 C100 E113 N117 | F82-V115 HydrophobicContact CD1-CG2 4.12Å; F82-V115 HydrophobicContact CE1-CG2 3.67Å; A97-V115 CarbonylContact C-O 3.58Å; A97-V115 VanDerWaalsContact CA-O 3.25Å; A97-V115 WeakPolarHBondContact CA-O 3.31Å; A97-V115 WeakPolarHBondContact CB-O 3.44Å; Y98-V115 PolarHBondContact N-O 3.28Å; Y98-V115 PolarHBondContact O-N 2.83Å; C100-V115 HydrophobicContact CB-CG1 4.29Å; E113-V115 HydrophobicContact CG-CG1 4.35Å; V115-N117 WeakPolarHBondContact CB-O 3.35Å; V115-N117 WeakPolarHBondContact CG2-O 3.5Å |
| 116 | M | 92.5 | Very high | 91 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -89.7 | -16.4 | -179.7 | -62.8 | -66.9 | 168.4 | 0 | 0 | 112.9 | V88 A97 L114 | V88-M116 HydrophobicContact CG2-CE 4.42Å; A97-M116 HydrophobicContact CB-SD 4.19Å; L114-M116 HydrophobicContact CD2-CE 4.47Å |
| 117 | N | 90.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -144.8 | 171.6 | 176.3 | 62.9 | 39.1 | 0 | 0 | 0 | 109.3 | V115 S119 | V115-N117 WeakPolarHBondContact CB-O 3.35Å; V115-N117 WeakPolarHBondContact CG2-O 3.5Å; N117-S119 PolarHBondContact OD1-N 3.14Å |
| 118 | M | 90.7 | Very high | 91 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 53% | 0.527 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -105.6 | 29.2 | 176.6 | -59.7 | 179.3 | -59.8 | 0 | 0 | 110.9 | F82 Y98 | F82-M118 HydrophobicContact CD1-CG 4.29Å; F82-M118 HydrophobicContact CG-CG 4.39Å; Y98-M118 HydrophobicContact CD1-CG 4.18Å; Y98-M118 HydrophobicContact CD1-SD 3.89Å; Y98-M118 HydrophobicContact CD2-CG 3.77Å; Y98-M118 HydrophobicContact CD2-SD 4.46Å; Y98-M118 HydrophobicContact CE1-CE 4.23Å; Y98-M118 HydrophobicContact CE1-CG 4.25Å; Y98-M118 HydrophobicContact CE1-SD 3.67Å; Y98-M118 HydrophobicContact CE2-CG 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.25Å; Y98-M118 HydrophobicContact CG-CG 3.93Å; Y98-M118 HydrophobicContact CG-SD 4.27Å |
| 119 | S | 88.9 | Confident | 91.1 | Very high | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 54% | 0.536 | S | S | * | . | trans | -88.8 | 148.8 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | N117 | N117-S119 PolarHBondContact OD1-N 3.14Š| ||
| 120 | T | 79.5 | Confident | 90.7 | Very high | 138 Ų | 138 | 103.3 Ų | 103.3 | 85% | 0.847 | 56% | 0.558 | S | S | * | * | trans | -100.4 | 119.5 | 163.7 | 55.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 121 | D | 70.2 | Confident | 90.1 | Very high | 232 Ų | 232 | 105.7 Ų | 105.7 | 100% | 1.241 | 57% | 0.567 | S | S | * | * | trans | -70.3 | 0 | 171.7 | -71.5 | -25.7 | 0 | 0 | 0 | 111.9 |
Retrieved 121 of 121 residues in 23.4 ms
(Link to these results)