| 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 | 86.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | 0 | -85 | 0 | -53 | -44 | -86.2 | 0 | 0 | 112.3 | K3 I4 E5 Y56 L59 E60 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.98Å; M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 VanDerWaalsContact O-CB 3.3Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.06Å; M1-E5 VanDerWaalsContact C-OE1 3.3Å; M1-E5 PolarHBondContact O-N 3Å; M1-E5 VanDerWaalsContact O-N 3.09Å; M1-Y56 HydrophobicContact CE-CD1 4.17Å; M1-Y56 HydrophobicContact CE-CD2 3.48Å; M1-Y56 VanDerWaalsContact CE-CD2 3.48Å; M1-Y56 HydrophobicContact CE-CE1 3.87Å; M1-Y56 HydrophobicContact CE-CE2 3.13Å; M1-Y56 HydrophobicContact CE-CG 3.98Å; M1-Y56 HydrophobicContact SD-CD2 3.89Å; M1-Y56 HydrophobicContact SD-CE2 4.02Å; M1-Y56 HydrophobicContact SD-CG 4.5Å; M1-L59 HydrophobicContact CE-CB 4.48Å; M1-L59 HydrophobicContact CG-CB 4.47Å; M1-L59 HydrophobicContact SD-CB 3.42Å; M1-L59 WeakPolarHBondContact SD-CB 3.4Å; M1-L59 HydrophobicContact SD-CD1 3.98Å; M1-L59 HydrophobicContact SD-CG 4.37Å; M1-E60 HydrophobicContact CE-CB 3.68Å; M1-E60 HydrophobicContact CE-CG 4.26Å | |||
| 2 | R | 89.1 | Confident | 89.1 | Confident | 220 Ų | 220 | 67.5 Ų | 67.5 | 83% | 0.83 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -48.8 | -42.1 | -176.4 | -65.3 | -176.2 | -178.7 | 173.8 | 0.9 | 116.5 | I4 E5 F6 | R2-I4 VanDerWaalsContact C-N 3.28Å; R2-I4 PolarHBondContact O-N 3.1Å; R2-E5 PolarHBondContact O-N 3.22Å; R2-F6 PolarHBondContact O-N 3.14Å |
| 3 | K | 89.5 | Confident | 89.2 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 175.4 | -69.4 | 178.5 | -178 | 170.6 | 0 | 112.2 | M1 A7 I26 L95 E97 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.98Å; K3-A7 WeakPolarHBondContact O-CB 3.36Å; K3-A7 PolarHBondContact O-N 3.43Å; K3-I26 HydrophobicContact CB-CB 4.38Å; K3-I26 HydrophobicContact CB-CG2 4.24Å; K3-I26 HydrophobicContact CD-CD1 4.33Å; K3-L95 HydrophobicContact CB-CD2 4.07Å; K3-L95 PolarHBondContact NZ-O 2.84Å; K3-E97 IonicContact NZ-OE1 3.56Å; K3-E97 PolarHBondContact NZ-OE1 3.12Å; K3-E97 VanDerWaalsContact NZ-OE1 3.13Å |
| 4 | I | 89.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.4 | -48.4 | -179.1 | -57.9 | 175.5 | 0 | 0 | 0 | 109.9 | M1 R2 F6 A7 L8 L52 V55 Y56 L59 L95 | M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 VanDerWaalsContact O-CB 3.3Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.06Å; R2-I4 VanDerWaalsContact C-N 3.28Å; R2-I4 PolarHBondContact O-N 3.1Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 2.85Å; I4-A7 WeakPolarHBondContact O-CB 3.4Å; I4-A7 PolarHBondContact O-N 3.48Å; I4-L8 HydrophobicContact CG2-CD1 4.06Å; I4-L8 HydrophobicContact CG2-CG 4.36Å; I4-L8 WeakPolarHBondContact O-CG 3.42Å; I4-L8 PolarHBondContact O-N 3.28Å; I4-L52 HydrophobicContact CB-CD1 4.27Å; I4-L52 HydrophobicContact CD1-CD1 4.3Å; I4-L52 HydrophobicContact CG1-CD1 3.87Å; I4-L52 HydrophobicContact CG2-CD1 3.72Å; I4-L52 HydrophobicContact CG2-CD2 4.11Å; I4-L52 HydrophobicContact CG2-CG 3.65Å; I4-V55 HydrophobicContact CD1-CG1 3.99Å; I4-Y56 HydrophobicContact CB-CD2 4.22Å; I4-Y56 HydrophobicContact CG2-CD2 3.91Å; I4-Y56 HydrophobicContact CG2-CG 4.44Å; I4-L59 HydrophobicContact CD1-CD1 4.01Å; I4-L95 HydrophobicContact CD1-CD1 4.14Å; I4-L95 HydrophobicContact CG1-CD1 4.04Å; I4-L95 HydrophobicContact CG1-CD2 3.86Å |
| 5 | E | 90.4 | Very high | 89 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.4 | -45.7 | 177 | -69.9 | 154.3 | -139.4 | 0 | 0 | 111.7 | M1 R2 A7 L8 A9 Y56 | M1-E5 VanDerWaalsContact C-OE1 3.3Å; M1-E5 PolarHBondContact O-N 3Å; M1-E5 VanDerWaalsContact O-N 3.09Å; R2-E5 PolarHBondContact O-N 3.22Å; E5-A7 PolarHBondContact O-N 3.12Å; E5-L8 PolarHBondContact O-N 2.91Å; E5-A9 WeakPolarHBondContact O-CB 3.43Å; E5-A9 PolarHBondContact O-N 3.22Å; E5-Y56 HydrophobicContact CG-CE2 3.87Å |
| 6 | F | 90.6 | Very high | 89.1 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 174.9 | 178.2 | -84.9 | 0 | 0 | 0 | 111.8 | R2 I4 L8 A9 D10 R25 I26 S27 T28 | R2-F6 PolarHBondContact O-N 3.14Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 2.85Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.11Å; F6-A9 PolarHBondContact O-N 3.18Å; F6-D10 HydrophobicContact CE1-CB 4.12Å; F6-D10 HydrophobicContact CZ-CB 4.44Å; F6-D10 WeakPolarHBondContact O-CB 3.27Å; F6-D10 PolarHBondContact O-N 3.3Å; F6-R25 HydrophobicContact CE1-CG 4.48Å; F6-I26 WeakPolarHBondContact CD1-O 3.48Å; F6-S27 VanDerWaalsContact CE1-CA 3.48Å; F6-S27 VanDerWaalsContact CE1-N 3.34Å; F6-T28 HydrophobicContact CE2-CG2 4.41Å; F6-T28 HydrophobicContact CZ-CG2 3.86Å |
| 7 | A | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K3 I4 E5 I11 L24 R25 L52 | K3-A7 WeakPolarHBondContact O-CB 3.36Å; K3-A7 PolarHBondContact O-N 3.43Å; I4-A7 WeakPolarHBondContact O-CB 3.4Å; I4-A7 PolarHBondContact O-N 3.48Å; E5-A7 PolarHBondContact O-N 3.12Å; A7-I11 PolarHBondContact O-N 3.49Å; A7-I11 VanDerWaalsContact O-N 3.08Å; A7-L24 HydrophobicContact CB-CD1 3.89Å; A7-R25 VanDerWaalsContact CA-O 3.3Å; A7-R25 WeakPolarHBondContact CA-O 3.3Å; A7-R25 WeakPolarHBondContact CB-O 3.34Å; A7-L52 HydrophobicContact CB-CD2 4.33Å |
| 8 | L | 89.4 | Confident | 88.8 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 175.8 | -66.3 | 176.3 | 0 | 0 | 0 | 112.2 | I4 E5 F6 I11 K12 L49 L52 | I4-L8 HydrophobicContact CG2-CD1 4.06Å; I4-L8 HydrophobicContact CG2-CG 4.36Å; I4-L8 WeakPolarHBondContact O-CG 3.42Å; I4-L8 PolarHBondContact O-N 3.28Å; E5-L8 PolarHBondContact O-N 2.91Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.11Å; L8-I11 WeakPolarHBondContact O-CG2 3.47Å; L8-K12 WeakPolarHBondContact O-CB 3.43Å; L8-K12 PolarHBondContact O-N 3.34Å; L8-L49 HydrophobicContact CD2-CD2 4.18Å; L8-L52 HydrophobicContact CD2-CD2 3.98Å; L8-L52 HydrophobicContact CG-CD2 4.3Å |
| 9 | A | 88.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E5 F6 K12 R13 | E5-A9 WeakPolarHBondContact O-CB 3.43Å; E5-A9 PolarHBondContact O-N 3.22Å; F6-A9 PolarHBondContact O-N 3.18Å; A9-K12 PolarHBondContact O-N 2.92Å; A9-R13 PolarHBondContact O-N 3.4Å; A9-R13 VanDerWaalsContact O-N 3.14Å |
| 10 | D | 89.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.037 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.2 | -40 | -178.9 | -176.9 | 66.4 | 0 | 0 | 0 | 112.3 | F6 K12 R13 Q14 R25 | F6-D10 HydrophobicContact CE1-CB 4.12Å; F6-D10 HydrophobicContact CZ-CB 4.44Å; F6-D10 WeakPolarHBondContact O-CB 3.27Å; F6-D10 PolarHBondContact O-N 3.3Å; D10-K12 VanDerWaalsContact C-N 3.35Å; D10-R13 WeakPolarHBondContact O-CB 3.31Å; D10-R13 PolarHBondContact O-N 2.99Å; D10-R13 IonicContact OD1-CZ 3.62Å; D10-R13 IonicContact OD1-NE 3.12Å; D10-R13 IonicContact OD1-NH2 3.06Å; D10-R13 PolarHBondContact OD1-NH2 3.08Å; D10-Q14 WeakPolarHBondContact O-CG 3.43Å; D10-Q14 PolarHBondContact O-N 3.14Å; D10-Q14 VanDerWaalsContact O-N 3.1Å; D10-Q14 PolarHBondContact OD2-NE2 2.96Å; D10-R25 IonicContact OD1-CZ 2.67Å; D10-R25 IonicContact OD1-NE 3.12Å; D10-R25 IonicContact OD1-NH2 3.1Å; D10-R25 PolarHBondContact OD1-NH2 3.37Å; D10-R25 VanDerWaalsContact OD2-CG 3.32Å; D10-R25 WeakPolarHBondContact OD2-CG 3.43Å; D10-R25 IonicContact OD2-CZ 2.84Å; D10-R25 IonicContact OD2-NE 2.64Å; D10-R25 PolarHBondContact OD2-NE 3.47Å; D10-R25 IonicContact OD2-NH2 3.8Å; D10-R25 PolarHBondContact OD2-NH2 3.09Å; D10-R25 VanDerWaalsContact OD2-NH2 3.16Å |
| 11 | I | 88.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 178.2 | -156.6 | 165 | 0 | 0 | 0 | 112.1 | A7 L8 R13 Q14 M15 L24 L45 L49 | A7-I11 PolarHBondContact O-N 3.49Å; A7-I11 VanDerWaalsContact O-N 3.08Å; L8-I11 WeakPolarHBondContact O-CG2 3.47Å; I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.31Å; I11-Q14 PolarHBondContact O-N 3.36Å; I11-M15 WeakPolarHBondContact O-CG 3.49Å; I11-M15 PolarHBondContact O-N 3.01Å; I11-L24 HydrophobicContact CB-CD1 4.36Å; I11-L24 HydrophobicContact CD1-CB 4.39Å; I11-L24 HydrophobicContact CD1-CD1 4.05Å; I11-L45 HydrophobicContact CD1-CD1 3.56Å; I11-L45 HydrophobicContact CD1-CD2 4.5Å; I11-L49 HydrophobicContact CD1-CD1 4.3Å; I11-L49 HydrophobicContact CD1-CD2 4.05Å; I11-L49 HydrophobicContact CG2-CD2 4.11Å |
| 12 | K | 89.4 | Confident | 87.9 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 59% | 0.591 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.8 | -47.2 | 172.9 | -175.8 | 176.5 | 179.7 | 178.8 | 0 | 110.9 | L8 A9 D10 Q14 M15 D16 | L8-K12 WeakPolarHBondContact O-CB 3.43Å; L8-K12 PolarHBondContact O-N 3.34Å; A9-K12 PolarHBondContact O-N 2.92Å; D10-K12 VanDerWaalsContact C-N 3.35Å; K12-Q14 VanDerWaalsContact C-N 3.33Å; K12-Q14 PolarHBondContact O-N 3.1Å; K12-M15 WeakPolarHBondContact O-CB 3.39Å; K12-M15 PolarHBondContact O-N 3.49Å; K12-M15 VanDerWaalsContact O-N 3.12Å; K12-D16 PolarHBondContact O-N 3.02Å |
| 13 | R | 90.2 | Very high | 87.9 | Confident | 121 Ų | 121 | 73.2 Ų | 73.2 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58 | -42 | 175.6 | -176.9 | -178.7 | 65.2 | 134.2 | -4.2 | 112.8 | A9 D10 I11 M15 D16 N17 R25 | A9-R13 PolarHBondContact O-N 3.4Å; A9-R13 VanDerWaalsContact O-N 3.14Å; D10-R13 WeakPolarHBondContact O-CB 3.31Å; D10-R13 PolarHBondContact O-N 2.99Å; D10-R13 IonicContact OD1-CZ 3.62Å; D10-R13 IonicContact OD1-NE 3.12Å; D10-R13 IonicContact OD1-NH2 3.06Å; D10-R13 PolarHBondContact OD1-NH2 3.08Å; I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.31Å; R13-M15 VanDerWaalsContact C-N 3.33Å; R13-D16 PolarHBondContact O-N 3.49Å; R13-N17 WeakPolarHBondContact O-CB 3.48Å; R13-N17 VanDerWaalsContact O-CG 3.24Å; R13-N17 PolarHBondContact O-N 3.5Å; R13-N17 PolarHBondContact O-ND2 3.18Å; R13-R25 VanDerWaalsContact NH2-NH2 3.18Å |
| 14 | Q | 89.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 177.3 | -67.1 | 174.8 | 45 | 0 | 0 | 112.3 | D10 I11 K12 K18 E19 L22 T23 | D10-Q14 WeakPolarHBondContact O-CG 3.43Å; D10-Q14 PolarHBondContact O-N 3.14Å; D10-Q14 VanDerWaalsContact O-N 3.1Å; D10-Q14 PolarHBondContact OD2-NE2 2.96Å; I11-Q14 PolarHBondContact O-N 3.36Å; K12-Q14 VanDerWaalsContact C-N 3.33Å; K12-Q14 PolarHBondContact O-N 3.1Å; Q14-K18 PolarHBondContact O-N 3.24Å; Q14-E19 HydrophobicContact CB-CG 4.43Å; Q14-E19 PolarHBondContact O-N 3.41Å; Q14-L22 HydrophobicContact CB-CD2 3.61Å; Q14-T23 PolarHBondContact NE2-O 3.04Å |
| 15 | M | 86.4 | Confident | 87.7 | Confident | 109 Ų | 109 | 72.1 Ų | 72.1 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 174.5 | -71.7 | 178.8 | 59.6 | 0 | 0 | 111.8 | I11 K12 R13 N17 K18 L22 | I11-M15 WeakPolarHBondContact O-CG 3.49Å; I11-M15 PolarHBondContact O-N 3.01Å; K12-M15 WeakPolarHBondContact O-CB 3.39Å; K12-M15 PolarHBondContact O-N 3.49Å; K12-M15 VanDerWaalsContact O-N 3.12Å; R13-M15 VanDerWaalsContact C-N 3.33Å; M15-N17 VanDerWaalsContact C-N 3.27Å; M15-N17 PolarHBondContact O-N 3.39Å; M15-K18 PolarHBondContact O-N 3.34Å; M15-L22 HydrophobicContact CG-CD1 3.9Å; M15-L22 HydrophobicContact CG-CD2 4.11Å |
| 16 | D | 90.4 | Very high | 87.5 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 177.1 | -66.3 | -23 | 0 | 0 | 0 | 111.2 | K12 R13 K18 | K12-D16 PolarHBondContact O-N 3.02Å; R13-D16 PolarHBondContact O-N 3.49Å; D16-K18 PolarHBondContact O-N 3.49Å |
| 17 | N | 89.3 | Confident | 87.1 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.5 | 175 | -69.7 | -15.9 | 0 | 0 | 0 | 114.4 | R13 M15 E19 | R13-N17 WeakPolarHBondContact O-CB 3.48Å; R13-N17 VanDerWaalsContact O-CG 3.24Å; R13-N17 PolarHBondContact O-N 3.5Å; R13-N17 PolarHBondContact O-ND2 3.18Å; M15-N17 VanDerWaalsContact C-N 3.27Å; M15-N17 PolarHBondContact O-N 3.39Å; N17-E19 VanDerWaalsContact C-N 3.27Å; N17-E19 HydrophobicContact CB-CG 4.14Å; N17-E19 PolarHBondContact O-N 3.12Å |
| 18 | K | 82.8 | Confident | 86.4 | Confident | 183 Ų | 183 | 72.1 Ų | 72.1 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.6 | -178 | -61 | -179.2 | -179.6 | 175.5 | 0 | 113.4 | Q14 M15 D16 | Q14-K18 PolarHBondContact O-N 3.24Å; M15-K18 PolarHBondContact O-N 3.34Å; D16-K18 PolarHBondContact O-N 3.49Å |
| 19 | E | 81.9 | Confident | 85.7 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -61.6 | 141 | 179.1 | -68.1 | -173.6 | -159.6 | 0 | 0 | 111.8 | Q14 N17 S21 | Q14-E19 HydrophobicContact CB-CG 4.43Å; Q14-E19 PolarHBondContact O-N 3.41Å; N17-E19 VanDerWaalsContact C-N 3.27Å; N17-E19 HydrophobicContact CB-CG 4.14Å; N17-E19 PolarHBondContact O-N 3.12Å; E19-S21 PolarHBondContact O-N 2.95Å | ||
| 20 | K | 79.1 | Confident | 84.2 | Confident | 206 Ų | 206 | 79.3 Ų | 79.3 | 90% | 0.896 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -65.8 | -25.2 | -178.8 | -69.8 | -177.2 | 179.2 | 177.5 | 0 | 113.1 | ||
| 21 | S | 85.9 | Confident | 82.3 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.5 | 176.9 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | E19 Y37 | E19-S21 PolarHBondContact O-N 2.95Å; S21-Y37 WeakPolarHBondContact CA-O 3.39Å |
| 22 | L | 87.5 | Confident | 81.1 | Confident | 28 Ų | 28 | 87 Ų | 87 | 15% | 0.147 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 141.4 | 178 | -60.3 | 174.9 | 0 | 0 | 0 | 109.3 | Q14 M15 Y37 L45 | Q14-L22 HydrophobicContact CB-CD2 3.61Å; M15-L22 HydrophobicContact CG-CD1 3.9Å; M15-L22 HydrophobicContact CG-CD2 4.11Å; L22-Y37 PolarHBondContact N-O 3.41Å; L22-Y37 PolarHBondContact O-N 2.94Å; L22-L45 HydrophobicContact CB-CD2 4.43Å; L22-L45 HydrophobicContact CD1-CD2 3.53Å |
| 23 | T | 88 | Confident | 80.4 | Confident | 21 Ų | 21 | 85.4 Ų | 85.4 | 13% | 0.129 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 114.1 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | Q14 C34 L35 | Q14-T23 PolarHBondContact NE2-O 3.04Å; T23-C34 HydrophobicContact CG2-CB 3.81Å; T23-L35 CarbonylContact C-O 3.52Å; T23-L35 WeakPolarHBondContact CA-O 3.2Å |
| 24 | L | 86.6 | Confident | 80 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.1 | 171 | -170.3 | 64.6 | 0 | 0 | 0 | 108.3 | A7 I11 C34 L35 Y37 L49 L52 I91 L94 | A7-L24 HydrophobicContact CB-CD1 3.89Å; I11-L24 HydrophobicContact CB-CD1 4.36Å; I11-L24 HydrophobicContact CD1-CB 4.39Å; I11-L24 HydrophobicContact CD1-CD1 4.05Å; L24-C34 CarbonylContact O-C 3.59Å; L24-C34 WeakPolarHBondContact O-CA 3.39Å; L24-L35 HydrophobicContact CB-CB 4.28Å; L24-L35 HydrophobicContact CD2-CD1 4.36Å; L24-L35 PolarHBondContact N-O 3Å; L24-L35 PolarHBondContact O-N 3.43Å; L24-Y37 HydrophobicContact CB-CE2 3.81Å; L24-L49 HydrophobicContact CD1-CD2 4.07Å; L24-L52 HydrophobicContact CD1-CD2 4.31Å; L24-L52 HydrophobicContact CD2-CD2 4.34Å; L24-I91 HydrophobicContact CD2-CD1 4.48Å; L24-L94 HydrophobicContact CD2-CD2 3.52Å; L24-L94 HydrophobicContact CG-CD1 4.41Å; L24-L94 HydrophobicContact CG-CD2 3.67Å; L24-L94 WeakPolarHBondContact O-CD1 3.47Å |
| 25 | R | 88.9 | Confident | 79.8 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 25% | 0.249 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.8 | -175.4 | 60 | -177.2 | 174 | -162.8 | -11.5 | 110.9 | F6 A7 D10 R13 S27 C34 | F6-R25 HydrophobicContact CE1-CG 4.48Å; A7-R25 VanDerWaalsContact CA-O 3.3Å; A7-R25 WeakPolarHBondContact CA-O 3.3Å; A7-R25 WeakPolarHBondContact CB-O 3.34Å; D10-R25 IonicContact OD1-CZ 2.67Å; D10-R25 IonicContact OD1-NE 3.12Å; D10-R25 IonicContact OD1-NH2 3.1Å; D10-R25 PolarHBondContact OD1-NH2 3.37Å; D10-R25 VanDerWaalsContact OD2-CG 3.32Å; D10-R25 WeakPolarHBondContact OD2-CG 3.43Å; D10-R25 IonicContact OD2-CZ 2.84Å; D10-R25 IonicContact OD2-NE 2.64Å; D10-R25 PolarHBondContact OD2-NE 3.47Å; D10-R25 IonicContact OD2-NH2 3.8Å; D10-R25 PolarHBondContact OD2-NH2 3.09Å; D10-R25 VanDerWaalsContact OD2-NH2 3.16Å; R13-R25 VanDerWaalsContact NH2-NH2 3.18Å; R25-S27 WeakPolarHBondContact CD-O 3.39Å; R25-C34 HydrophobicContact CB-CB 4.1Å |
| 26 | I | 85.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 11% | 0.113 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -96.9 | -3.8 | -178.5 | 57.6 | 162.9 | 0 | 0 | 0 | 113.9 | K3 F6 H32 L94 L95 | K3-I26 HydrophobicContact CB-CB 4.38Å; K3-I26 HydrophobicContact CB-CG2 4.24Å; K3-I26 HydrophobicContact CD-CD1 4.33Å; F6-I26 WeakPolarHBondContact CD1-O 3.48Å; I26-H32 HydrophobicContact CD1-CB 4.44Å; I26-H32 HydrophobicContact CG1-CB 4.12Å; I26-L94 WeakPolarHBondContact CD1-O 3.35Å; I26-L94 HydrophobicContact CG2-CD1 4.03Å; I26-L94 HydrophobicContact CG2-CG 3.9Å; I26-L95 HydrophobicContact CG2-CD2 3.96Å |
| 27 | S | 83.1 | Confident | 79.6 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -160.2 | 158.9 | 179.1 | 172 | 0 | 0 | 0 | 0 | 110.1 | F6 R25 S29 H32 | F6-S27 VanDerWaalsContact CE1-CA 3.48Å; F6-S27 VanDerWaalsContact CE1-N 3.34Å; R25-S27 WeakPolarHBondContact CD-O 3.39Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact OG-N 3.2Å; S27-H32 VanDerWaalsContact CB-CD2 3.49Å; S27-H32 WeakPolarHBondContact CB-CD2 3.37Å |
| 28 | T | 74.2 | Confident | 79.4 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -75.2 | -16.6 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | F6 | F6-T28 HydrophobicContact CE2-CG2 4.41Å; F6-T28 HydrophobicContact CZ-CG2 3.86Å |
| 29 | S | 74 | Confident | 79.2 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.8 | 137.4 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | S27 S31 | S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact OG-N 3.2Å; S29-S31 PolarHBondContact O-N 3.31Å; S29-S31 VanDerWaalsContact O-N 3.11Å; S29-S31 PolarHBondContact OG-OG 2.95Å |
| 30 | K | 57.4 | Low | 79.2 | Confident | 218 Ų | 218 | 81.1 Ų | 81.1 | 95% | 0.948 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -8.2 | -179.6 | -71.1 | -178.8 | 178.2 | 176.1 | 0 | 114.1 | ||
| 31 | S | 51.3 | Low | 79.5 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.6 | -173.8 | 58.5 | 0 | 0 | 0 | 0 | 115.3 | S29 | S29-S31 PolarHBondContact O-N 3.31Å; S29-S31 VanDerWaalsContact O-N 3.11Å; S29-S31 PolarHBondContact OG-OG 2.95Å |
| 32 | H | 62.8 | Low | 79.5 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -102.6 | 150.4 | -175.7 | -64.3 | -70.4 | 0 | 0 | 0 | 113.3 | I26 S27 C34 | I26-H32 HydrophobicContact CD1-CB 4.44Å; I26-H32 HydrophobicContact CG1-CB 4.12Å; S27-H32 VanDerWaalsContact CB-CD2 3.49Å; S27-H32 WeakPolarHBondContact CB-CD2 3.37Å; H32-C34 PolarHBondContact O-N 3Å |
| 33 | F | 73.3 | Confident | 79.5 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 45% | 0.452 | 43% | 0.43 | S | S | . | . | trans | -47.6 | 124.4 | 171.7 | -59.2 | -81.7 | 0 | 0 | 0 | 110 | E93 N96 | F33-E93 VanDerWaalsContact CB-O 3.22Å; F33-E93 WeakPolarHBondContact CB-O 3.35Å; F33-E93 WeakPolarHBondContact CG-O 3.39Å; F33-N96 HydrophobicContact CD2-CB 4.05Å; F33-N96 HydrophobicContact CE2-CB 3.99Å; F33-N96 WeakPolarHBondContact CE2-OD1 3.43Å | ||
| 34 | C | 82.4 | Confident | 79.7 | Confident | 68 Ų | 68 | 85 Ų | 85 | 46% | 0.459 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.9 | 179.3 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | T23 L24 R25 H32 | T23-C34 HydrophobicContact CG2-CB 3.81Å; L24-C34 CarbonylContact O-C 3.59Å; L24-C34 WeakPolarHBondContact O-CA 3.39Å; R25-C34 HydrophobicContact CB-CB 4.1Å; H32-C34 PolarHBondContact O-N 3Å |
| 35 | L | 84.6 | Confident | 79.9 | Confident | 27 Ų | 27 | 85.8 Ų | 85.8 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.6 | 179.6 | -58.6 | 170.8 | 0 | 0 | 0 | 108.4 | T23 L24 Y37 L94 | T23-L35 CarbonylContact C-O 3.52Å; T23-L35 WeakPolarHBondContact CA-O 3.2Å; L24-L35 HydrophobicContact CB-CB 4.28Å; L24-L35 HydrophobicContact CD2-CD1 4.36Å; L24-L35 PolarHBondContact N-O 3Å; L24-L35 PolarHBondContact O-N 3.43Å; L35-Y37 HydrophobicContact CB-CE2 3.6Å; L35-Y37 WeakPolarHBondContact CB-OH 3.33Å; L35-Y37 WeakPolarHBondContact CD1-OH 3.37Å; L35-Y37 VanDerWaalsContact O-CD2 3.31Å; L35-Y37 WeakPolarHBondContact O-CD2 3.37Å; L35-Y37 WeakPolarHBondContact O-CE2 3.38Å; L35-L94 HydrophobicContact CD1-CB 4.07Å; L35-L94 HydrophobicContact CD1-CD2 4.36Å; L35-L94 HydrophobicContact CG-CB 4.5Å; L35-L94 HydrophobicContact CG-CD1 4.46Å |
| 36 | R | 86.2 | Confident | 80 | Confident | 173 Ų | 173 | 87.2 Ų | 87.2 | 65% | 0.653 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.1 | -179.8 | -169.2 | 178.2 | -66.7 | 166.5 | 2 | 111 | ||
| 37 | Y | 87.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 88.3 Ų | 88.3 | 4% | 0.035 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.5 | -179.1 | -54.9 | -90 | 0 | 0 | 0 | 110.3 | S21 L22 L24 L35 K44 L45 D48 | S21-Y37 WeakPolarHBondContact CA-O 3.39Å; L22-Y37 PolarHBondContact N-O 3.41Å; L22-Y37 PolarHBondContact O-N 2.94Å; L24-Y37 HydrophobicContact CB-CE2 3.81Å; L35-Y37 HydrophobicContact CB-CE2 3.6Å; L35-Y37 WeakPolarHBondContact CB-OH 3.33Å; L35-Y37 WeakPolarHBondContact CD1-OH 3.37Å; L35-Y37 VanDerWaalsContact O-CD2 3.31Å; L35-Y37 WeakPolarHBondContact O-CD2 3.37Å; L35-Y37 WeakPolarHBondContact O-CE2 3.38Å; Y37-K44 HydrophobicContact CE1-CG 4.11Å; Y37-L45 HydrophobicContact CD1-CB 3.66Å; Y37-L45 HydrophobicContact CD1-CD1 4.25Å; Y37-L45 HydrophobicContact CD2-CB 4.49Å; Y37-L45 HydrophobicContact CD2-CD1 3.67Å; Y37-L45 HydrophobicContact CE1-CB 4.07Å; Y37-L45 HydrophobicContact CE1-CD1 4.3Å; Y37-L45 HydrophobicContact CE2-CD1 3.74Å; Y37-L45 HydrophobicContact CG-CB 3.89Å; Y37-L45 HydrophobicContact CG-CD1 3.93Å; Y37-L45 HydrophobicContact CG-CG 4.35Å; Y37-D48 VanDerWaalsContact CE1-OD2 3.28Å; Y37-D48 WeakPolarHBondContact CE1-OD2 3.35Å; Y37-D48 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D48 WeakPolarHBondContact OH-CB 3.43Å; Y37-D48 PolarHBondContact OH-OD2 2.84Å |
| 38 | T | 85 | Confident | 80.9 | Confident | 72 Ų | 72 | 86.8 Ų | 86.8 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 165.8 | 170.9 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | K40 R41 | T38-K40 PolarHBondContact O-N 3.4Å; T38-R41 PolarHBondContact O-N 3.18Å |
| 39 | A | 78.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -55 | -23.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | R41 K42 | A39-R41 VanDerWaalsContact C-N 3.32Å; A39-K42 WeakPolarHBondContact O-CG 3.25Å |
| 40 | K | 81.2 | Confident | 82.7 | Confident | 206 Ų | 206 | 82.7 Ų | 82.7 | 90% | 0.896 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -76 | -16.2 | 175.9 | -63.9 | -174.7 | 179.2 | -177.9 | 0 | 113.5 | T38 | T38-K40 PolarHBondContact O-N 3.4Š|
| 41 | R | 86 | Confident | 84.5 | Confident | 158 Ų | 158 | 72.3 Ų | 72.3 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -110 | 24.6 | -176.3 | -68.2 | -168.4 | 175.5 | -171.9 | -0.6 | 113.5 | T38 A39 G43 K44 L45 | T38-R41 PolarHBondContact O-N 3.18Å; A39-R41 VanDerWaalsContact C-N 3.32Å; R41-G43 VanDerWaalsContact C-N 3.3Å; R41-G43 PolarHBondContact O-N 3.3Å; R41-K44 PolarHBondContact O-N 3.27Å; R41-L45 PolarHBondContact O-N 2.9Å; R41-L45 VanDerWaalsContact O-N 3.09Å |
| 42 | K | 84.8 | Confident | 86.5 | Confident | 152 Ų | 152 | 68 Ų | 68 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -50.7 | -46.3 | 178.8 | -75.2 | 176.2 | -178.1 | -171.1 | 0 | 113 | A39 K44 L45 D46 | A39-K42 WeakPolarHBondContact O-CG 3.25Å; K42-K44 VanDerWaalsContact C-N 3.3Å; K42-K44 PolarHBondContact O-N 3.18Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.11Å; K42-D46 PolarHBondContact O-N 3.26Å |
| 43 | G | 88.8 | Confident | 87.9 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -28.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R41 R47 | R41-G43 VanDerWaalsContact C-N 3.3Å; R41-G43 PolarHBondContact O-N 3.3Å; G43-R47 WeakPolarHBondContact O-CG 3.48Å; G43-R47 PolarHBondContact O-N 3.31Å; G43-R47 PolarHBondContact O-NE 3.38Å; G43-R47 PolarHBondContact O-NH1 2.98Å |
| 44 | K | 91 | Very high | 88.9 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.8 | -39.9 | 173.9 | -178.7 | 58.4 | 163.7 | 82.5 | 0 | 110.9 | Y37 R41 K42 D46 R47 D48 S86 S90 | Y37-K44 HydrophobicContact CE1-CG 4.11Å; R41-K44 PolarHBondContact O-N 3.27Å; K42-K44 VanDerWaalsContact C-N 3.3Å; K42-K44 PolarHBondContact O-N 3.18Å; K44-D46 VanDerWaalsContact C-N 3.34Å; K44-R47 PolarHBondContact O-N 3.03Å; K44-D48 IonicContact NZ-OD1 3.71Å; K44-D48 PolarHBondContact NZ-OD1 3.14Å; K44-D48 IonicContact NZ-OD2 3.85Å; K44-D48 PolarHBondContact NZ-OD2 2.99Å; K44-D48 WeakPolarHBondContact O-CB 3.5Å; K44-D48 PolarHBondContact O-N 3.33Å; K44-S86 VanDerWaalsContact CE-OG 3.29Å; K44-S86 WeakPolarHBondContact CE-OG 3.3Å; K44-S86 PolarHBondContact NZ-O 3.29Å; K44-S90 PolarHBondContact NZ-OG 2.87Å |
| 45 | L | 91.1 | Very high | 89.4 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 174.5 | 173.9 | 61.6 | 0 | 0 | 0 | 111.2 | I11 L22 Y37 R41 K42 R47 D48 L49 | I11-L45 HydrophobicContact CD1-CD1 3.56Å; I11-L45 HydrophobicContact CD1-CD2 4.5Å; L22-L45 HydrophobicContact CB-CD2 4.43Å; L22-L45 HydrophobicContact CD1-CD2 3.53Å; Y37-L45 HydrophobicContact CD1-CB 3.66Å; Y37-L45 HydrophobicContact CD1-CD1 4.25Å; Y37-L45 HydrophobicContact CD2-CB 4.49Å; Y37-L45 HydrophobicContact CD2-CD1 3.67Å; Y37-L45 HydrophobicContact CE1-CB 4.07Å; Y37-L45 HydrophobicContact CE1-CD1 4.3Å; Y37-L45 HydrophobicContact CE2-CD1 3.74Å; Y37-L45 HydrophobicContact CG-CB 3.89Å; Y37-L45 HydrophobicContact CG-CD1 3.93Å; Y37-L45 HydrophobicContact CG-CG 4.35Å; R41-L45 PolarHBondContact O-N 2.9Å; R41-L45 VanDerWaalsContact O-N 3.09Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.11Å; L45-R47 PolarHBondContact O-N 2.92Å; L45-D48 PolarHBondContact O-N 3.03Å; L45-L49 HydrophobicContact CD1-CD1 3.85Å; L45-L49 HydrophobicContact CD1-CG 3.88Å; L45-L49 HydrophobicContact CG-CD1 3.96Å; L45-L49 HydrophobicContact CG-CG 4.37Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.9Å |
| 46 | D | 91 | Very high | 89.9 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 178.4 | -174.1 | 52 | 0 | 0 | 0 | 111.8 | K42 K44 D48 L49 H50 | K42-D46 PolarHBondContact O-N 3.26Å; K44-D46 VanDerWaalsContact C-N 3.34Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 3.49Å; D46-L49 PolarHBondContact O-N 3.22Å; D46-H50 WeakPolarHBondContact O-CB 3.42Å; D46-H50 PolarHBondContact O-N 3.04Å |
| 47 | R | 94.2 | Very high | 90.3 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 17% | 0.17 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 176.1 | -71.1 | -173.1 | -60.3 | -96 | 6 | 114 | G43 K44 L45 C51 V77 Y78 | G43-R47 WeakPolarHBondContact O-CG 3.48Å; G43-R47 PolarHBondContact O-N 3.31Å; G43-R47 PolarHBondContact O-NE 3.38Å; G43-R47 PolarHBondContact O-NH1 2.98Å; K44-R47 PolarHBondContact O-N 3.03Å; L45-R47 PolarHBondContact O-N 2.92Å; R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.3Å; R47-C51 PolarHBondContact O-N 3.4Å; R47-V77 HydrophobicContact CG-CG1 4.14Å; R47-Y78 HydrophobicContact CB-CD1 4.31Å; R47-Y78 HydrophobicContact CB-CE1 4Å; R47-Y78 HydrophobicContact CG-CD1 4.09Å; R47-Y78 HydrophobicContact CG-CE1 4.22Å |
| 48 | D | 93.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.8 | -42.3 | 178.8 | -72.7 | -18.7 | 0 | 0 | 0 | 111.8 | Y37 K44 L45 D46 H50 C51 L52 S87 I91 | Y37-D48 VanDerWaalsContact CE1-OD2 3.28Å; Y37-D48 WeakPolarHBondContact CE1-OD2 3.35Å; Y37-D48 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D48 WeakPolarHBondContact OH-CB 3.43Å; Y37-D48 PolarHBondContact OH-OD2 2.84Å; K44-D48 IonicContact NZ-OD1 3.71Å; K44-D48 PolarHBondContact NZ-OD1 3.14Å; K44-D48 IonicContact NZ-OD2 3.85Å; K44-D48 PolarHBondContact NZ-OD2 2.99Å; K44-D48 WeakPolarHBondContact O-CB 3.5Å; K44-D48 PolarHBondContact O-N 3.33Å; L45-D48 PolarHBondContact O-N 3.03Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 3.49Å; D48-H50 VanDerWaalsContact C-N 3.32Å; D48-C51 PolarHBondContact O-N 3.06Å; D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.48Å; D48-L52 PolarHBondContact O-N 3.21Å; D48-S87 VanDerWaalsContact OD1-CA 3.28Å; D48-S87 WeakPolarHBondContact OD1-CA 3.46Å; D48-S87 VanDerWaalsContact OD1-CB 3.22Å; D48-S87 WeakPolarHBondContact OD1-CB 3.27Å; D48-S87 PolarHBondContact OD1-OG 3.13Å; D48-I91 HydrophobicContact CB-CD1 4.46Å |
| 49 | L | 92.6 | Very high | 91 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.2 | -72.1 | 176 | 0 | 0 | 0 | 111.4 | L8 I11 L24 L45 D46 L52 H53 | L8-L49 HydrophobicContact CD2-CD2 4.18Å; I11-L49 HydrophobicContact CD1-CD1 4.3Å; I11-L49 HydrophobicContact CD1-CD2 4.05Å; I11-L49 HydrophobicContact CG2-CD2 4.11Å; L24-L49 HydrophobicContact CD1-CD2 4.07Å; L45-L49 HydrophobicContact CD1-CD1 3.85Å; L45-L49 HydrophobicContact CD1-CG 3.88Å; L45-L49 HydrophobicContact CG-CD1 3.96Å; L45-L49 HydrophobicContact CG-CG 4.37Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.9Å; D46-L49 PolarHBondContact O-N 3.22Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-H53 PolarHBondContact O-N 3.04Å |
| 50 | H | 93.3 | Very high | 91.7 | Very high | 35 Ų | 35 | 57 Ų | 57 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 175.6 | -167.6 | 76.1 | 0 | 0 | 0 | 111.8 | D46 D48 L52 H53 Q54 H74 V77 Y78 | D46-H50 WeakPolarHBondContact O-CB 3.42Å; D46-H50 PolarHBondContact O-N 3.04Å; D48-H50 VanDerWaalsContact C-N 3.32Å; H50-L52 VanDerWaalsContact C-N 3.28Å; H50-L52 PolarHBondContact O-N 3.21Å; H50-H53 WeakPolarHBondContact O-CB 3.34Å; H50-H53 PolarHBondContact O-N 2.8Å; H50-Q54 PolarHBondContact O-N 2.88Å; H50-H74 AromaticContact CE1-CD2 3.22Å; H50-H74 PolarHBondContact CE1-CD2 3Å; H50-H74 AromaticContact CE1-CG 3.73Å; H50-H74 AromaticContact CE1-NE2 3.55Å; H50-H74 WeakPolarHBondContact NE2-CB 3.47Å; H50-H74 AromaticContact NE2-CD2 3Å; H50-H74 PolarHBondContact NE2-CD2 3.26Å; H50-H74 AromaticContact NE2-CE1 3.8Å; H50-H74 AromaticContact NE2-CG 2.99Å; H50-H74 AromaticContact NE2-ND1 3.52Å; H50-H74 AromaticContact NE2-NE2 3.53Å; H50-V77 HydrophobicContact CB-CG1 4.11Å; H50-Y78 AromaticContact CD2-CE2 3.97Å; H50-Y78 AromaticContact CD2-CZ 4Å |
| 51 | C | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | R47 D48 H53 Q54 V55 Y78 I91 | R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.3Å; R47-C51 PolarHBondContact O-N 3.4Å; D48-C51 PolarHBondContact O-N 3.06Å; C51-H53 VanDerWaalsContact C-N 3.35Å; C51-Q54 PolarHBondContact O-N 3.29Å; C51-V55 WeakPolarHBondContact O-CG2 3.46Å; C51-V55 PolarHBondContact O-N 2.69Å; C51-Y78 WeakPolarHBondContact CA-OH 3.36Å; C51-Y78 WeakPolarHBondContact CB-OH 3.32Å; C51-Y78 PolarHBondContact N-OH 3.06Å; C51-I91 HydrophobicContact CB-CG1 4.13Å |
| 52 | L | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.1 | -175.2 | 64.2 | 0 | 0 | 0 | 111.8 | I4 A7 L8 L24 D48 L49 H50 V55 Y56 I91 L95 | I4-L52 HydrophobicContact CB-CD1 4.27Å; I4-L52 HydrophobicContact CD1-CD1 4.3Å; I4-L52 HydrophobicContact CG1-CD1 3.87Å; I4-L52 HydrophobicContact CG2-CD1 3.72Å; I4-L52 HydrophobicContact CG2-CD2 4.11Å; I4-L52 HydrophobicContact CG2-CG 3.65Å; A7-L52 HydrophobicContact CB-CD2 4.33Å; L8-L52 HydrophobicContact CD2-CD2 3.98Å; L8-L52 HydrophobicContact CG-CD2 4.3Å; L24-L52 HydrophobicContact CD1-CD2 4.31Å; L24-L52 HydrophobicContact CD2-CD2 4.34Å; D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.48Å; D48-L52 PolarHBondContact O-N 3.21Å; L49-L52 PolarHBondContact O-N 3.42Å; H50-L52 VanDerWaalsContact C-N 3.28Å; H50-L52 PolarHBondContact O-N 3.21Å; L52-V55 PolarHBondContact O-N 3.35Å; L52-Y56 PolarHBondContact O-N 3.08Å; L52-I91 HydrophobicContact CB-CD1 3.99Å; L52-I91 HydrophobicContact CD1-CD1 4.25Å; L52-I91 HydrophobicContact CD1-CG2 4.03Å; L52-L95 HydrophobicContact CD1-CD1 4.21Å; L52-L95 HydrophobicContact CD1-CD2 4.4Å |
| 53 | H | 92.5 | Very high | 92.5 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -47 | 173 | 174.7 | 37 | 0 | 0 | 0 | 111.9 | L49 H50 C51 V55 Y56 D57 | L49-H53 PolarHBondContact O-N 3.04Å; H50-H53 WeakPolarHBondContact O-CB 3.34Å; H50-H53 PolarHBondContact O-N 2.8Å; C51-H53 VanDerWaalsContact C-N 3.35Å; H53-V55 VanDerWaalsContact C-N 3.27Å; H53-V55 PolarHBondContact O-N 2.97Å; H53-Y56 WeakPolarHBondContact O-CA 3.26Å; H53-Y56 WeakPolarHBondContact O-CB 3.35Å; H53-Y56 PolarHBondContact O-N 3.16Å; H53-D57 VanDerWaalsContact CE1-CG 3.44Å; H53-D57 IonicContact CE1-OD1 3.68Å; H53-D57 PolarHBondContact CE1-OD1 2.79Å; H53-D57 IonicContact CE1-OD2 3.25Å; H53-D57 PolarHBondContact CE1-OD2 2.78Å; H53-D57 IonicContact ND1-OD1 2.86Å; H53-D57 PolarHBondContact ND1-OD1 2.87Å; H53-D57 VanDerWaalsContact ND1-OD1 3.1Å; H53-D57 IonicContact ND1-OD2 2.72Å; H53-D57 IonicContact NE2-OD2 3.56Å; H53-D57 PolarHBondContact O-N 3.16Å |
| 54 | Q | 93.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | 175.2 | -71.6 | -177.3 | -69.1 | 0 | 0 | 111.6 | H50 C51 Y56 D57 L58 L70 E73 H74 Y78 | H50-Q54 PolarHBondContact O-N 2.88Å; C51-Q54 PolarHBondContact O-N 3.29Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 3.02Å; Q54-D57 PolarHBondContact O-N 2.74Å; Q54-L58 VanDerWaalsContact O-CG 3.3Å; Q54-L58 WeakPolarHBondContact O-CG 3.3Å; Q54-L58 PolarHBondContact O-N 2.96Å; Q54-L70 HydrophobicContact CB-CD2 4.23Å; Q54-L70 PolarHBondContact NE2-O 3.28Å; Q54-E73 PolarHBondContact NE2-OE2 3.18Å; Q54-H74 PolarHBondContact NE2-ND1 2.85Å; Q54-H74 VanDerWaalsContact NE2-ND1 3.11Å; Q54-Y78 PolarHBondContact OE1-OH 3.41Å |
| 55 | V | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | I4 C51 L52 H53 L58 L59 I91 L95 L102 I104 | I4-V55 HydrophobicContact CD1-CG1 3.99Å; C51-V55 WeakPolarHBondContact O-CG2 3.46Å; C51-V55 PolarHBondContact O-N 2.69Å; L52-V55 PolarHBondContact O-N 3.35Å; H53-V55 VanDerWaalsContact C-N 3.27Å; H53-V55 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 2.81Å; V55-L59 HydrophobicContact CG1-CD1 3.93Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.02Å; V55-L59 PolarHBondContact O-N 3.37Å; V55-L59 VanDerWaalsContact O-N 3.11Å; V55-I91 HydrophobicContact CG2-CG2 4.41Å; V55-L95 HydrophobicContact CG1-CD1 4.42Å; V55-L102 HydrophobicContact CG1-CB 4Å; V55-L102 HydrophobicContact CG1-CD1 4.41Å; V55-L102 HydrophobicContact CG1-CD2 3.91Å; V55-L102 HydrophobicContact CG1-CG 4.31Å; V55-L102 HydrophobicContact CG2-CB 4.46Å; V55-I104 HydrophobicContact CG2-CD1 3.86Å |
| 56 | Y | 94.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.7 | -178.4 | -86 | 0 | 0 | 0 | 111.2 | M1 I4 E5 L52 H53 Q54 L58 L59 E60 | M1-Y56 HydrophobicContact CE-CD1 4.17Å; M1-Y56 HydrophobicContact CE-CD2 3.48Å; M1-Y56 VanDerWaalsContact CE-CD2 3.48Å; M1-Y56 HydrophobicContact CE-CE1 3.87Å; M1-Y56 HydrophobicContact CE-CE2 3.13Å; M1-Y56 HydrophobicContact CE-CG 3.98Å; M1-Y56 HydrophobicContact SD-CD2 3.89Å; M1-Y56 HydrophobicContact SD-CE2 4.02Å; M1-Y56 HydrophobicContact SD-CG 4.5Å; I4-Y56 HydrophobicContact CB-CD2 4.22Å; I4-Y56 HydrophobicContact CG2-CD2 3.91Å; I4-Y56 HydrophobicContact CG2-CG 4.44Å; E5-Y56 HydrophobicContact CG-CE2 3.87Å; L52-Y56 PolarHBondContact O-N 3.08Å; H53-Y56 WeakPolarHBondContact O-CA 3.26Å; H53-Y56 WeakPolarHBondContact O-CB 3.35Å; H53-Y56 PolarHBondContact O-N 3.16Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 3.02Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 2.7Å; Y56-L59 PolarHBondContact O-N 2.9Å; Y56-E60 HydrophobicContact CE1-CB 4.26Å; Y56-E60 HydrophobicContact CE1-CG 4.44Å; Y56-E60 WeakPolarHBondContact CE1-OE2 3.06Å; Y56-E60 WeakPolarHBondContact O-CB 3.43Å; Y56-E60 PolarHBondContact O-N 3.28Å; Y56-E60 PolarHBondContact OH-OE1 3.39Å |
| 57 | D | 93.8 | Very high | 92.3 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 31% | 0.305 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | -178.8 | -67.1 | 0.8 | 0 | 0 | 0 | 112.2 | H53 Q54 N61 | H53-D57 VanDerWaalsContact CE1-CG 3.44Å; H53-D57 IonicContact CE1-OD1 3.68Å; H53-D57 PolarHBondContact CE1-OD1 2.79Å; H53-D57 IonicContact CE1-OD2 3.25Å; H53-D57 PolarHBondContact CE1-OD2 2.78Å; H53-D57 IonicContact ND1-OD1 2.86Å; H53-D57 PolarHBondContact ND1-OD1 2.87Å; H53-D57 VanDerWaalsContact ND1-OD1 3.1Å; H53-D57 IonicContact ND1-OD2 2.72Å; H53-D57 IonicContact NE2-OD2 3.56Å; H53-D57 PolarHBondContact O-N 3.16Å; Q54-D57 PolarHBondContact O-N 2.74Å; D57-N61 WeakPolarHBondContact O-CB 3.42Å; D57-N61 PolarHBondContact O-N 2.89Å; D57-N61 VanDerWaalsContact O-N 3.14Å; D57-N61 PolarHBondContact O-ND2 3.26Å |
| 58 | L | 93.8 | Very high | 92 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.2 | -71.8 | 177.2 | 0 | 0 | 0 | 111.8 | Q54 V55 Y56 D62 K63 L70 N103 I104 | Q54-L58 VanDerWaalsContact O-CG 3.3Å; Q54-L58 WeakPolarHBondContact O-CG 3.3Å; Q54-L58 PolarHBondContact O-N 2.96Å; V55-L58 PolarHBondContact O-N 2.81Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 2.7Å; L58-D62 WeakPolarHBondContact O-CA 3.47Å; L58-D62 PolarHBondContact O-N 3.18Å; L58-K63 WeakPolarHBondContact CB-O 3.43Å; L58-K63 HydrophobicContact CD2-CB 3.95Å; L58-K63 PolarHBondContact O-N 2.93Å; L58-K63 VanDerWaalsContact O-O 3.12Å; L58-L70 HydrophobicContact CD1-CD2 4.25Å; L58-N103 HydrophobicContact CB-CB 4.02Å; L58-N103 HydrophobicContact CD1-CB 4.48Å; L58-N103 PolarHBondContact O-ND2 2.87Å; L58-I104 HydrophobicContact CD1-CG1 4.05Å |
| 59 | L | 93.1 | Very high | 91.8 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.7 | -38.8 | -179.2 | -69.3 | 172.8 | 0 | 0 | 0 | 112.3 | M1 I4 V55 Y56 | M1-L59 HydrophobicContact CE-CB 4.48Å; M1-L59 HydrophobicContact CG-CB 4.47Å; M1-L59 HydrophobicContact SD-CB 3.42Å; M1-L59 WeakPolarHBondContact SD-CB 3.4Å; M1-L59 HydrophobicContact SD-CD1 3.98Å; M1-L59 HydrophobicContact SD-CG 4.37Å; I4-L59 HydrophobicContact CD1-CD1 4.01Å; V55-L59 HydrophobicContact CG1-CD1 3.93Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.02Å; V55-L59 PolarHBondContact O-N 3.37Å; V55-L59 VanDerWaalsContact O-N 3.11Å; Y56-L59 PolarHBondContact O-N 2.9Å |
| 60 | E | 93.7 | Very high | 91.7 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.6 | -170.1 | 170.1 | -125.9 | 0 | 0 | 112.2 | M1 Y56 | M1-E60 HydrophobicContact CE-CB 3.68Å; M1-E60 HydrophobicContact CE-CG 4.26Å; Y56-E60 HydrophobicContact CE1-CB 4.26Å; Y56-E60 HydrophobicContact CE1-CG 4.44Å; Y56-E60 WeakPolarHBondContact CE1-OE2 3.06Å; Y56-E60 WeakPolarHBondContact O-CB 3.43Å; Y56-E60 PolarHBondContact O-N 3.28Å; Y56-E60 PolarHBondContact OH-OE1 3.39Å |
| 61 | N | 92.4 | Very high | 91.6 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 6.1 | -176.1 | -64 | -75.9 | 0 | 0 | 0 | 113.9 | D57 K63 | D57-N61 WeakPolarHBondContact O-CB 3.42Å; D57-N61 PolarHBondContact O-N 2.89Å; D57-N61 VanDerWaalsContact O-N 3.14Å; D57-N61 PolarHBondContact O-ND2 3.26Å; N61-K63 HydrophobicContact CB-CD 3.96Å; N61-K63 HydrophobicContact CB-CG 3.9Å; N61-K63 PolarHBondContact O-N 3.21Å; N61-K63 VanDerWaalsContact O-N 3.12Å |
| 62 | D | 87.3 | Confident | 91.4 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 36.3 | -169.8 | -165.3 | 38.1 | 0 | 0 | 0 | 113.6 | L58 R64 | L58-D62 WeakPolarHBondContact O-CA 3.47Å; L58-D62 PolarHBondContact O-N 3.18Å; D62-R64 IonicContact OD1-NH2 3.57Å |
| 63 | K | 89.4 | Confident | 91.2 | Very high | 129 Ų | 129 | 68 Ų | 68 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | trans | -91.9 | 147.8 | 177.1 | -71.7 | 179.1 | -176.9 | 173.7 | 0 | 109.7 | L58 N61 N103 | L58-K63 WeakPolarHBondContact CB-O 3.43Å; L58-K63 HydrophobicContact CD2-CB 3.95Å; L58-K63 PolarHBondContact O-N 2.93Å; L58-K63 VanDerWaalsContact O-O 3.12Å; N61-K63 HydrophobicContact CB-CD 3.96Å; N61-K63 HydrophobicContact CB-CG 3.9Å; N61-K63 PolarHBondContact O-N 3.21Å; N61-K63 VanDerWaalsContact O-N 3.12Å; K63-N103 VanDerWaalsContact O-CB 3.27Å; K63-N103 WeakPolarHBondContact O-CB 3.42Å; K63-N103 PolarHBondContact O-ND2 2.68Å | ||
| 64 | R | 88.3 | Confident | 90.9 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | trans | -118.7 | 139.7 | 176.6 | -63.5 | 175.3 | -176.5 | 77.9 | 2.5 | 108.7 | D62 N103 L105 | D62-R64 IonicContact OD1-NH2 3.57Å; R64-N103 WeakPolarHBondContact CA-O 3.28Å; R64-N103 HydrophobicContact CG-CB 4.34Å; R64-L105 HydrophobicContact CB-CD1 3.76Å; R64-L105 HydrophobicContact CB-CD2 4.45Å; R64-L105 HydrophobicContact CB-CG 3.95Å; R64-L105 HydrophobicContact CG-CD1 4.38Å | ||
| 65 | S | 89.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 72 Ų | 72 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.7 | -177.7 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | E69 N103 I104 L105 | S65-E69 VanDerWaalsContact OG-CB 3.31Å; S65-E69 WeakPolarHBondContact OG-CB 3.46Å; S65-N103 PolarHBondContact N-O 3.25Å; S65-N103 VanDerWaalsContact N-O 3.08Å; S65-I104 CarbonylContact O-C 3.44Å; S65-I104 VanDerWaalsContact O-CA 3.25Å; S65-I104 WeakPolarHBondContact O-CA 3.4Å; S65-L105 PolarHBondContact O-N 3.13Å |
| 66 | T | 89.9 | Confident | 90.5 | Very high | 27 Ų | 27 | 77.1 Ų | 77.1 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 160.1 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | R68 E69 L70 | T66-R68 PolarHBondContact O-N 3.15Å; T66-R68 VanDerWaalsContact O-N 3.13Å; T66-E69 PolarHBondContact N-OE2 3.09Å; T66-E69 PolarHBondContact O-N 3.28Å; T66-E69 VanDerWaalsContact OG1-CD 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.47Å; T66-E69 PolarHBondContact OG1-OE2 3.01Å; T66-L70 WeakPolarHBondContact O-CG 3.49Å; T66-L70 PolarHBondContact O-N 3.03Å |
| 67 | K | 89.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 77.1 Ų | 77.1 | 17% | 0.17 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -53.4 | -35.4 | 173.2 | -69.4 | -175.2 | 164.1 | -160.6 | 0 | 113.2 | Y71 L84 D85 I88 I104 E230 | K67-Y71 WeakPolarHBondContact O-CB 3.39Å; K67-Y71 PolarHBondContact O-N 2.95Å; K67-Y71 VanDerWaalsContact O-N 3.15Å; K67-L84 WeakPolarHBondContact O-CD2 3.25Å; K67-D85 WeakPolarHBondContact CD-OD1 3.41Å; K67-D85 WeakPolarHBondContact CE-OD1 3.42Å; K67-D85 IonicContact NZ-OD1 2.79Å; K67-D85 PolarHBondContact NZ-OD1 3.15Å; K67-I88 HydrophobicContact CD-CD1 4.43Å; K67-I88 HydrophobicContact CG-CD1 3.88Å; K67-I104 HydrophobicContact CG-CG2 4.16Å; K67-E230 WeakPolarHBondContact CE-OE2 3.47Å; K67-E230 IonicContact NZ-OE1 3.54Å; K67-E230 IonicContact NZ-OE2 3.34Å; K67-E230 PolarHBondContact NZ-OE2 2.84Å |
| 68 | R | 88.4 | Confident | 90.1 | Very high | 150 Ų | 150 | 74.6 Ų | 74.6 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.3 | -44.1 | -179.2 | -75.2 | -175.8 | 175.2 | 152.4 | -1 | 111.1 | T66 Y71 Y72 | T66-R68 PolarHBondContact O-N 3.15Å; T66-R68 VanDerWaalsContact O-N 3.13Å; R68-Y71 WeakPolarHBondContact O-CB 3.44Å; R68-Y71 PolarHBondContact O-N 3.2Å; R68-Y72 HydrophobicContact CB-CD2 4.39Å; R68-Y72 HydrophobicContact CB-CE2 4.3Å; R68-Y72 WeakPolarHBondContact O-CD2 3.34Å; R68-Y72 PolarHBondContact O-N 2.96Å |
| 69 | E | 89.5 | Confident | 90 | Very high | 98 Ų | 98 | 76.4 Ų | 76.4 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 176.2 | -74.1 | 160.6 | 165.1 | 0 | 0 | 110.9 | S65 T66 Y71 Y72 E73 | S65-E69 VanDerWaalsContact OG-CB 3.31Å; S65-E69 WeakPolarHBondContact OG-CB 3.46Å; T66-E69 PolarHBondContact N-OE2 3.09Å; T66-E69 PolarHBondContact O-N 3.28Å; T66-E69 VanDerWaalsContact OG1-CD 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.47Å; T66-E69 PolarHBondContact OG1-OE2 3.01Å; E69-Y71 PolarHBondContact O-N 3.43Å; E69-Y72 PolarHBondContact O-N 2.94Å; E69-E73 WeakPolarHBondContact O-CG 3.21Å; E69-E73 PolarHBondContact O-N 3.19Å |
| 70 | L | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.2 | -37.9 | 175.7 | -67.8 | 178.1 | 0 | 0 | 0 | 113 | Q54 L58 T66 L84 I104 | Q54-L70 HydrophobicContact CB-CD2 4.23Å; Q54-L70 PolarHBondContact NE2-O 3.28Å; L58-L70 HydrophobicContact CD1-CD2 4.25Å; T66-L70 WeakPolarHBondContact O-CG 3.49Å; T66-L70 PolarHBondContact O-N 3.03Å; L70-L84 HydrophobicContact CB-CD2 4.04Å; L70-I104 HydrophobicContact CD1-CD1 3.75Å; L70-I104 HydrophobicContact CD1-CG1 3.86Å; L70-I104 HydrophobicContact CD1-CG2 4Å |
| 71 | Y | 91.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 10% | 0.102 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.8 | 173.7 | -107.9 | 0 | 0 | 0 | 112.4 | K67 R68 E69 H74 K75 G79 N80 Q81 | K67-Y71 WeakPolarHBondContact O-CB 3.39Å; K67-Y71 PolarHBondContact O-N 2.95Å; K67-Y71 VanDerWaalsContact O-N 3.15Å; R68-Y71 WeakPolarHBondContact O-CB 3.44Å; R68-Y71 PolarHBondContact O-N 3.2Å; E69-Y71 PolarHBondContact O-N 3.43Å; Y71-H74 CarbonylContact O-C 3.38Å; Y71-H74 PolarHBondContact O-N 3.45Å; Y71-K75 HydrophobicContact CE1-CG 4.29Å; Y71-K75 WeakPolarHBondContact O-CA 3.44Å; Y71-K75 PolarHBondContact O-N 3Å; Y71-G79 PolarHBondContact OH-O 3.17Å; Y71-G79 VanDerWaalsContact OH-O 3.06Å; Y71-N80 VanDerWaalsContact CE2-C 3.48Å; Y71-Q81 HydrophobicContact CD2-CB 4.44Å |
| 72 | Y | 90.1 | Very high | 89.6 | Confident | 150 Ų | 150 | 78.8 Ų | 78.8 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.9 | -36.9 | -177.3 | -77.6 | -63.4 | 0 | 0 | 0 | 112.9 | R68 E69 H74 | R68-Y72 HydrophobicContact CB-CD2 4.39Å; R68-Y72 HydrophobicContact CB-CE2 4.3Å; R68-Y72 WeakPolarHBondContact O-CD2 3.34Å; R68-Y72 PolarHBondContact O-N 2.96Å; E69-Y72 PolarHBondContact O-N 2.94Å; Y72-H74 PolarHBondContact O-N 3.31Å |
| 73 | E | 88.2 | Confident | 89.9 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55 | -38.5 | 173.7 | -71.9 | 173.6 | 177.2 | 0 | 0 | 111.4 | Q54 E69 | Q54-E73 PolarHBondContact NE2-OE2 3.18Å; E69-E73 WeakPolarHBondContact O-CG 3.21Å; E69-E73 PolarHBondContact O-N 3.19Å |
| 74 | H | 87.2 | Confident | 90 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 44.5 | -173 | -63 | 90 | 0 | 0 | 0 | 112.9 | H50 Q54 Y71 Y72 A76 V77 Y78 | H50-H74 AromaticContact CE1-CD2 3.22Å; H50-H74 PolarHBondContact CE1-CD2 3Å; H50-H74 AromaticContact CE1-CG 3.73Å; H50-H74 AromaticContact CE1-NE2 3.55Å; H50-H74 WeakPolarHBondContact NE2-CB 3.47Å; H50-H74 AromaticContact NE2-CD2 3Å; H50-H74 PolarHBondContact NE2-CD2 3.26Å; H50-H74 AromaticContact NE2-CE1 3.8Å; H50-H74 AromaticContact NE2-CG 2.99Å; H50-H74 AromaticContact NE2-ND1 3.52Å; H50-H74 AromaticContact NE2-NE2 3.53Å; Q54-H74 PolarHBondContact NE2-ND1 2.85Å; Q54-H74 VanDerWaalsContact NE2-ND1 3.11Å; Y71-H74 CarbonylContact O-C 3.38Å; Y71-H74 PolarHBondContact O-N 3.45Å; Y72-H74 PolarHBondContact O-N 3.31Å; H74-A76 PolarHBondContact O-N 2.79Å; H74-A76 VanDerWaalsContact O-N 3.14Å; H74-V77 HydrophobicContact CB-CB 4.39Å; H74-V77 HydrophobicContact CB-CG2 4.3Å; H74-V77 PolarHBondContact O-N 2.96Å; H74-Y78 HydrophobicContact CB-CD2 4.26Å; H74-Y78 HydrophobicContact CB-CE2 4.09Å; H74-Y78 WeakPolarHBondContact O-CD2 3.49Å; H74-Y78 PolarHBondContact O-N 2.79Å |
| 75 | K | 90.4 | Very high | 90.2 | Very high | 118 Ų | 118 | 69.9 Ų | 69.9 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -33.8 | -177 | -171.3 | 177.4 | 178.7 | -175.9 | 0 | 113.2 | Y71 V77 G79 | Y71-K75 HydrophobicContact CE1-CG 4.29Å; Y71-K75 WeakPolarHBondContact O-CA 3.44Å; Y71-K75 PolarHBondContact O-N 3Å; K75-V77 VanDerWaalsContact C-N 3.35Å; K75-G79 WeakPolarHBondContact O-CA 3.27Å; K75-G79 PolarHBondContact O-N 3.06Å |
| 76 | A | 89.6 | Confident | 90.3 | Very high | 107 Ų | 107 | 72 Ų | 72 | 88% | 0.884 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.8 | -33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H74 | H74-A76 PolarHBondContact O-N 2.79Å; H74-A76 VanDerWaalsContact O-N 3.14Å |
| 77 | V | 88.9 | Confident | 90.5 | Very high | 46 Ų | 46 | 70.7 Ų | 70.7 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.1 | -43.4 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | R47 H50 H74 K75 | R47-V77 HydrophobicContact CG-CG1 4.14Å; H50-V77 HydrophobicContact CB-CG1 4.11Å; H74-V77 HydrophobicContact CB-CB 4.39Å; H74-V77 HydrophobicContact CB-CG2 4.3Å; H74-V77 PolarHBondContact O-N 2.96Å; K75-V77 VanDerWaalsContact C-N 3.35Å |
| 78 | Y | 91.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 2% | 0.02 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -85.9 | -41.7 | -176 | -65.9 | -68.4 | 0 | 0 | 0 | 113.2 | R47 H50 C51 Q54 H74 N80 Y83 L84 | R47-Y78 HydrophobicContact CB-CD1 4.31Å; R47-Y78 HydrophobicContact CB-CE1 4Å; R47-Y78 HydrophobicContact CG-CD1 4.09Å; R47-Y78 HydrophobicContact CG-CE1 4.22Å; H50-Y78 AromaticContact CD2-CE2 3.97Å; H50-Y78 AromaticContact CD2-CZ 4Å; C51-Y78 WeakPolarHBondContact CA-OH 3.36Å; C51-Y78 WeakPolarHBondContact CB-OH 3.32Å; C51-Y78 PolarHBondContact N-OH 3.06Å; Q54-Y78 PolarHBondContact OE1-OH 3.41Å; H74-Y78 HydrophobicContact CB-CD2 4.26Å; H74-Y78 HydrophobicContact CB-CE2 4.09Å; H74-Y78 WeakPolarHBondContact O-CD2 3.49Å; H74-Y78 PolarHBondContact O-N 2.79Å; Y78-N80 PolarHBondContact O-N 2.83Å; Y78-Y83 WeakPolarHBondContact O-CD2 3.49Å; Y78-L84 HydrophobicContact CD1-CB 3.81Å; Y78-L84 HydrophobicContact CD1-CD1 4.24Å; Y78-L84 HydrophobicContact CD2-CB 4.42Å; Y78-L84 HydrophobicContact CD2-CD1 4.33Å; Y78-L84 HydrophobicContact CE1-CB 4.14Å; Y78-L84 HydrophobicContact CE1-CD1 3.73Å; Y78-L84 HydrophobicContact CE2-CD1 3.81Å; Y78-L84 HydrophobicContact CG-CB 3.99Å |
| 79 | G | 90 | Very high | 90.8 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 68.4 | -39.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y71 K75 | Y71-G79 PolarHBondContact OH-O 3.17Å; Y71-G79 VanDerWaalsContact OH-O 3.06Å; K75-G79 WeakPolarHBondContact O-CA 3.27Å; K75-G79 PolarHBondContact O-N 3.06Å |
| 80 | N | 91.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -138.5 | 139.6 | 177.2 | -170.1 | -47 | 0 | 0 | 0 | 110.5 | Y71 Y78 K82 Y83 | Y71-N80 VanDerWaalsContact CE2-C 3.48Å; Y78-N80 PolarHBondContact O-N 2.83Å; N80-K82 PolarHBondContact O-N 3.07Å; N80-K82 PolarHBondContact OD1-N 3.23Å; N80-Y83 HydrophobicContact CB-CD2 3.7Å; N80-Y83 HydrophobicContact CB-CE2 3.99Å; N80-Y83 WeakPolarHBondContact O-CB 3.41Å; N80-Y83 PolarHBondContact O-N 3.19Å |
| 81 | Q | 89.1 | Confident | 91 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 179 | -169.6 | 168.4 | 1.3 | 0 | 0 | 113.2 | Y71 Y83 L84 D85 | Y71-Q81 HydrophobicContact CD2-CB 4.44Å; Q81-Y83 PolarHBondContact O-N 3.02Å; Q81-Y83 VanDerWaalsContact O-N 3.16Å; Q81-L84 WeakPolarHBondContact O-CB 3.38Å; Q81-L84 PolarHBondContact O-N 3.34Å; Q81-D85 PolarHBondContact O-N 3.46Å |
| 82 | K | 91.6 | Very high | 90.9 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.1 | -32.3 | 175.2 | -68 | -177.3 | 179.6 | -179.7 | 0 | 113.1 | N80 S86 | N80-K82 PolarHBondContact O-N 3.07Å; N80-K82 PolarHBondContact OD1-N 3.23Å; K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.29Å |
| 83 | Y | 92.6 | Very high | 90.9 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 46% | 0.459 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.4 | -34.3 | 178.2 | -65.3 | -54.5 | 0 | 0 | 0 | 112.3 | Y78 N80 Q81 S87 | Y78-Y83 WeakPolarHBondContact O-CD2 3.49Å; N80-Y83 HydrophobicContact CB-CD2 3.7Å; N80-Y83 HydrophobicContact CB-CE2 3.99Å; N80-Y83 WeakPolarHBondContact O-CB 3.41Å; N80-Y83 PolarHBondContact O-N 3.19Å; Q81-Y83 PolarHBondContact O-N 3.02Å; Q81-Y83 VanDerWaalsContact O-N 3.16Å; Y83-S87 PolarHBondContact O-N 3.17Å; Y83-S87 VanDerWaalsContact O-N 3.11Å; Y83-S87 PolarHBondContact O-OG 3.1Å |
| 84 | L | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 169.7 | 174.4 | 66.7 | 0 | 0 | 0 | 110.3 | K67 L70 Y78 Q81 S86 S87 I88 | K67-L84 WeakPolarHBondContact O-CD2 3.25Å; L70-L84 HydrophobicContact CB-CD2 4.04Å; Y78-L84 HydrophobicContact CD1-CB 3.81Å; Y78-L84 HydrophobicContact CD1-CD1 4.24Å; Y78-L84 HydrophobicContact CD2-CB 4.42Å; Y78-L84 HydrophobicContact CD2-CD1 4.33Å; Y78-L84 HydrophobicContact CE1-CB 4.14Å; Y78-L84 HydrophobicContact CE1-CD1 3.73Å; Y78-L84 HydrophobicContact CE2-CD1 3.81Å; Y78-L84 HydrophobicContact CG-CB 3.99Å; Q81-L84 WeakPolarHBondContact O-CB 3.38Å; Q81-L84 PolarHBondContact O-N 3.34Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 3.14Å; L84-S87 CarbonylContact O-C 3.57Å; L84-S87 WeakPolarHBondContact O-CA 3.22Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.35Å; L84-I88 HydrophobicContact CD1-CD1 3.92Å; L84-I88 HydrophobicContact CD1-CG1 3.97Å; L84-I88 HydrophobicContact CD2-CD1 4.2Å; L84-I88 HydrophobicContact CG-CD1 3.75Å; L84-I88 HydrophobicContact CG-CG1 4.2Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.73Å |
| 85 | D | 91.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.4 | -45.4 | 178.8 | -72.5 | -42.9 | 0 | 0 | 0 | 111.5 | K67 Q81 S87 I88 K89 | K67-D85 WeakPolarHBondContact CD-OD1 3.41Å; K67-D85 WeakPolarHBondContact CE-OD1 3.42Å; K67-D85 IonicContact NZ-OD1 2.79Å; K67-D85 PolarHBondContact NZ-OD1 3.15Å; Q81-D85 PolarHBondContact O-N 3.46Å; D85-S87 VanDerWaalsContact C-N 3.26Å; D85-S87 PolarHBondContact O-N 3.3Å; D85-I88 PolarHBondContact O-N 3.24Å; D85-K89 WeakPolarHBondContact O-CB 3.44Å; D85-K89 PolarHBondContact O-N 2.88Å |
| 86 | S | 92 | Very high | 91.1 | Very high | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -31 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 113.3 | K44 K82 L84 S90 | K44-S86 VanDerWaalsContact CE-OG 3.29Å; K44-S86 WeakPolarHBondContact CE-OG 3.3Å; K44-S86 PolarHBondContact NZ-O 3.29Å; K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.29Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 3.14Å; S86-S90 PolarHBondContact O-N 3.43Å; S86-S90 PolarHBondContact O-OG 3.08Å |
| 87 | S | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.9 | -46.7 | 179 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | D48 Y83 L84 D85 K89 S90 I91 | D48-S87 VanDerWaalsContact OD1-CA 3.28Å; D48-S87 WeakPolarHBondContact OD1-CA 3.46Å; D48-S87 VanDerWaalsContact OD1-CB 3.22Å; D48-S87 WeakPolarHBondContact OD1-CB 3.27Å; D48-S87 PolarHBondContact OD1-OG 3.13Å; Y83-S87 PolarHBondContact O-N 3.17Å; Y83-S87 VanDerWaalsContact O-N 3.11Å; Y83-S87 PolarHBondContact O-OG 3.1Å; L84-S87 CarbonylContact O-C 3.57Å; L84-S87 WeakPolarHBondContact O-CA 3.22Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.35Å; D85-S87 VanDerWaalsContact C-N 3.26Å; D85-S87 PolarHBondContact O-N 3.3Å; S87-K89 VanDerWaalsContact C-N 3.3Å; S87-K89 PolarHBondContact O-N 3.28Å; S87-S90 WeakPolarHBondContact O-CB 3.38Å; S87-S90 PolarHBondContact O-N 2.91Å; S87-I91 WeakPolarHBondContact O-CG1 3.44Å; S87-I91 PolarHBondContact O-N 2.84Å |
| 88 | I | 93 | Very high | 91 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.9 | -48.5 | 173.2 | -67.7 | 173.7 | 0 | 0 | 0 | 110.2 | K67 L84 D85 S90 I91 C92 R99 I104 E230 | K67-I88 HydrophobicContact CD-CD1 4.43Å; K67-I88 HydrophobicContact CG-CD1 3.88Å; L84-I88 HydrophobicContact CD1-CD1 3.92Å; L84-I88 HydrophobicContact CD1-CG1 3.97Å; L84-I88 HydrophobicContact CD2-CD1 4.2Å; L84-I88 HydrophobicContact CG-CD1 3.75Å; L84-I88 HydrophobicContact CG-CG1 4.2Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.73Å; D85-I88 PolarHBondContact O-N 3.24Å; I88-S90 VanDerWaalsContact C-N 3.35Å; I88-S90 PolarHBondContact O-N 3.08Å; I88-I91 PolarHBondContact O-N 3.21Å; I88-C92 PolarHBondContact O-N 3.28Å; I88-C92 PolarHBondContact O-SG 3.29Å; I88-R99 HydrophobicContact CG2-CG 4.18Å; I88-I104 HydrophobicContact CD1-CD1 4.24Å; I88-I104 HydrophobicContact CD1-CG2 4.42Å; I88-I104 HydrophobicContact CG1-CD1 4.16Å; I88-I104 HydrophobicContact CG2-CD1 4.34Å; I88-E230 HydrophobicContact CG2-CG 4.47Å |
| 89 | K | 91.4 | Very high | 90.9 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.7 | -48.8 | 175.9 | 178.7 | 173.9 | 175.7 | 171.7 | 0 | 112 | D85 S87 I91 C92 E93 A229 E230 | D85-K89 WeakPolarHBondContact O-CB 3.44Å; D85-K89 PolarHBondContact O-N 2.88Å; S87-K89 VanDerWaalsContact C-N 3.3Å; S87-K89 PolarHBondContact O-N 3.28Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 3.48Å; K89-C92 PolarHBondContact O-N 3.23Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact O-CG 3.19Å; K89-E93 PolarHBondContact O-N 3.4Å; K89-A229 HydrophobicContact CG-CB 4.34Å; K89-E230 HydrophobicContact CB-CG 4.37Å |
| 90 | S | 91.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 178 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | K44 S86 S87 I88 E93 L94 | K44-S90 PolarHBondContact NZ-OG 2.87Å; S86-S90 PolarHBondContact O-N 3.43Å; S86-S90 PolarHBondContact O-OG 3.08Å; S87-S90 WeakPolarHBondContact O-CB 3.38Å; S87-S90 PolarHBondContact O-N 2.91Å; I88-S90 VanDerWaalsContact C-N 3.35Å; I88-S90 PolarHBondContact O-N 3.08Å; S90-E93 PolarHBondContact O-N 2.85Å; S90-L94 VanDerWaalsContact O-CB 3.27Å; S90-L94 WeakPolarHBondContact O-CB 3.31Å; S90-L94 PolarHBondContact O-N 3.17Å |
| 91 | I | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.7 | -40.7 | 178 | -62.8 | -46.6 | 0 | 0 | 0 | 111.7 | L24 D48 C51 L52 V55 S87 I88 K89 E93 L94 L95 L102 | L24-I91 HydrophobicContact CD2-CD1 4.48Å; D48-I91 HydrophobicContact CB-CD1 4.46Å; C51-I91 HydrophobicContact CB-CG1 4.13Å; L52-I91 HydrophobicContact CB-CD1 3.99Å; L52-I91 HydrophobicContact CD1-CD1 4.25Å; L52-I91 HydrophobicContact CD1-CG2 4.03Å; V55-I91 HydrophobicContact CG2-CG2 4.41Å; S87-I91 WeakPolarHBondContact O-CG1 3.44Å; S87-I91 PolarHBondContact O-N 2.84Å; I88-I91 PolarHBondContact O-N 3.21Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 3.48Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 2.94Å; I91-L94 HydrophobicContact CD1-CD2 4.13Å; I91-L94 PolarHBondContact O-N 3.34Å; I91-L95 HydrophobicContact CG2-CD1 3.64Å; I91-L95 HydrophobicContact CG2-CG 4.11Å; I91-L95 WeakPolarHBondContact O-CB 3.36Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.37Å; I91-L102 HydrophobicContact CG2-CD1 4.19Å |
| 92 | C | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 172.5 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | I88 K89 N96 E97 A229 | I88-C92 PolarHBondContact O-N 3.28Å; I88-C92 PolarHBondContact O-SG 3.29Å; K89-C92 PolarHBondContact O-N 3.23Å; C92-N96 VanDerWaalsContact O-CA 3.31Å; C92-N96 WeakPolarHBondContact O-CA 3.43Å; C92-N96 PolarHBondContact O-N 2.86Å; C92-E97 WeakPolarHBondContact CA-O 3.41Å; C92-E97 WeakPolarHBondContact CB-O 3.22Å; C92-E97 PolarHBondContact O-N 2.75Å; C92-A229 HydrophobicContact CB-CB 4.39Å |
| 93 | E | 89.8 | Confident | 90.3 | Very high | 66 Ų | 66 | 31.3 Ų | 31.3 | 31% | 0.308 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 174.6 | -71.4 | 170.5 | -178.6 | 0 | 0 | 111.7 | F33 K89 S90 I91 N96 A229 | F33-E93 VanDerWaalsContact CB-O 3.22Å; F33-E93 WeakPolarHBondContact CB-O 3.35Å; F33-E93 WeakPolarHBondContact CG-O 3.39Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact O-CG 3.19Å; K89-E93 PolarHBondContact O-N 3.4Å; S90-E93 PolarHBondContact O-N 2.85Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 2.94Å; E93-N96 PolarHBondContact O-N 3.43Å; E93-A229 HydrophobicContact CG-CB 3.5Å |
| 94 | L | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | -179.8 | 176.1 | 70.8 | 0 | 0 | 0 | 112.3 | L24 I26 L35 S90 I91 N96 | L24-L94 HydrophobicContact CD2-CD2 3.52Å; L24-L94 HydrophobicContact CG-CD1 4.41Å; L24-L94 HydrophobicContact CG-CD2 3.67Å; L24-L94 WeakPolarHBondContact O-CD1 3.47Å; I26-L94 WeakPolarHBondContact CD1-O 3.35Å; I26-L94 HydrophobicContact CG2-CD1 4.03Å; I26-L94 HydrophobicContact CG2-CG 3.9Å; L35-L94 HydrophobicContact CD1-CB 4.07Å; L35-L94 HydrophobicContact CD1-CD2 4.36Å; L35-L94 HydrophobicContact CG-CB 4.5Å; L35-L94 HydrophobicContact CG-CD1 4.46Å; S90-L94 VanDerWaalsContact O-CB 3.27Å; S90-L94 WeakPolarHBondContact O-CB 3.31Å; S90-L94 PolarHBondContact O-N 3.17Å; I91-L94 HydrophobicContact CD1-CD2 4.13Å; I91-L94 PolarHBondContact O-N 3.34Å; L94-N96 VanDerWaalsContact C-N 3.3Å |
| 95 | L | 89.8 | Confident | 89.7 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -80.7 | -15.8 | -177.1 | -62.2 | -179.9 | 0 | 0 | 0 | 112.6 | K3 I4 I26 L52 V55 I91 E97 L102 | K3-L95 HydrophobicContact CB-CD2 4.07Å; K3-L95 PolarHBondContact NZ-O 2.84Å; I4-L95 HydrophobicContact CD1-CD1 4.14Å; I4-L95 HydrophobicContact CG1-CD1 4.04Å; I4-L95 HydrophobicContact CG1-CD2 3.86Å; I26-L95 HydrophobicContact CG2-CD2 3.96Å; L52-L95 HydrophobicContact CD1-CD1 4.21Å; L52-L95 HydrophobicContact CD1-CD2 4.4Å; V55-L95 HydrophobicContact CG1-CD1 4.42Å; I91-L95 HydrophobicContact CG2-CD1 3.64Å; I91-L95 HydrophobicContact CG2-CG 4.11Å; I91-L95 WeakPolarHBondContact O-CB 3.36Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.37Å; L95-E97 VanDerWaalsContact C-N 3.29Å; L95-E97 HydrophobicContact CB-CB 4.38Å; L95-E97 HydrophobicContact CB-CG 4.19Å; L95-L102 HydrophobicContact CD1-CD1 4.18Å; L95-L102 HydrophobicContact CD1-CD2 3.67Å |
| 96 | N | 88.8 | Confident | 89 | Confident | 60 Ų | 60 | 26.2 Ų | 26.2 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 41.3 | -171 | -168.9 | 58 | 0 | 0 | 0 | 112.2 | F33 C92 E93 L94 R232 | F33-N96 HydrophobicContact CD2-CB 4.05Å; F33-N96 HydrophobicContact CE2-CB 3.99Å; F33-N96 WeakPolarHBondContact CE2-OD1 3.43Å; C92-N96 VanDerWaalsContact O-CA 3.31Å; C92-N96 WeakPolarHBondContact O-CA 3.43Å; C92-N96 PolarHBondContact O-N 2.86Å; E93-N96 PolarHBondContact O-N 3.43Å; L94-N96 VanDerWaalsContact C-N 3.3Å; N96-R232 PolarHBondContact OD1-NH1 3.06Å; N96-R232 PolarHBondContact OD1-NH2 2.8Å; N96-R232 VanDerWaalsContact OD1-NH2 3.07Å |
| 97 | E | 89.1 | Confident | 88.2 | Confident | 61 Ų | 61 | 27.9 Ų | 27.9 | 29% | 0.285 | 15% | 0.151 | S | C | . | . | trans | -126.8 | 152.2 | -178.6 | -63.6 | -57.8 | 157.5 | 0 | 0 | 110.6 | K3 C92 L95 N101 L102 | K3-E97 IonicContact NZ-OE1 3.56Å; K3-E97 PolarHBondContact NZ-OE1 3.12Å; K3-E97 VanDerWaalsContact NZ-OE1 3.13Å; C92-E97 WeakPolarHBondContact CA-O 3.41Å; C92-E97 WeakPolarHBondContact CB-O 3.22Å; C92-E97 PolarHBondContact O-N 2.75Å; L95-E97 VanDerWaalsContact C-N 3.29Å; L95-E97 HydrophobicContact CB-CB 4.38Å; L95-E97 HydrophobicContact CB-CG 4.19Å; E97-N101 HydrophobicContact CB-CB 4.26Å; E97-N101 PolarHBondContact OE2-ND2 2.91Å; E97-L102 HydrophobicContact CB-CD2 3.85Å; E97-L102 HydrophobicContact CB-CG 4.13Å; E97-L102 HydrophobicContact CG-CD2 4.33Å | ||
| 98 | S | 88.1 | Confident | 87.5 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | trans | -75 | 161 | 173.6 | 77.6 | 0 | 0 | 0 | 0 | 110.8 | A100 N101 L102 R232 | S98-A100 PolarHBondContact O-N 3.44Å; S98-N101 PolarHBondContact O-N 3.03Å; S98-N101 VanDerWaalsContact O-N 3.14Å; S98-N101 PolarHBondContact OG-N 3.33Å; S98-L102 WeakPolarHBondContact O-CG 3.29Å; S98-L102 PolarHBondContact O-N 2.88Å; S98-R232 WeakPolarHBondContact CB-O 3.28Å | ||
| 99 | R | 87.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 6% | 0.06 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -35.6 | 178.3 | -166.9 | 169.7 | 52.6 | 90.6 | -7.4 | 112.5 | I88 L102 I104 L105 S106 E230 | I88-R99 HydrophobicContact CG2-CG 4.18Å; R99-L102 PolarHBondContact O-N 3.01Å; R99-I104 CarbonylContact C-O 3.54Å; R99-I104 HydrophobicContact CG-CB 3.52Å; R99-I104 HydrophobicContact CG-CG2 3.64Å; R99-I104 WeakPolarHBondContact CG-O 3.42Å; R99-I104 PolarHBondContact NH1-O 3.46Å; R99-I104 PolarHBondContact O-N 3.11Å; R99-I104 VanDerWaalsContact O-N 3.08Å; R99-L105 PolarHBondContact NH1-O 2.58Å; R99-S106 PolarHBondContact NH1-OG 2.84Å; R99-S106 PolarHBondContact NH2-OG 2.55Å; R99-E230 HydrophobicContact CB-CB 4.48Å; R99-E230 WeakPolarHBondContact CB-O 2.92Å; R99-E230 PolarHBondContact N-O 2.86Å; R99-E230 IonicContact NE-OE2 2.8Å |
| 100 | A | 83.4 | Confident | 87.5 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 12% | 0.124 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -64.7 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S98 L102 N103 | S98-A100 PolarHBondContact O-N 3.44Å; A100-L102 PolarHBondContact O-N 2.83Å; A100-N103 PolarHBondContact O-N 3.3Å; A100-N103 VanDerWaalsContact O-N 3.17Å |
| 101 | N | 87 | Confident | 87.7 | Confident | 95 Ų | 95 | 30.9 Ų | 30.9 | 51% | 0.508 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -69.6 | -16.2 | 176.3 | -70 | 2.2 | 0 | 0 | 0 | 113.3 | E97 S98 N103 | E97-N101 HydrophobicContact CB-CB 4.26Å; E97-N101 PolarHBondContact OE2-ND2 2.91Å; S98-N101 PolarHBondContact O-N 3.03Å; S98-N101 VanDerWaalsContact O-N 3.14Å; S98-N101 PolarHBondContact OG-N 3.33Å; N101-N103 VanDerWaalsContact C-N 3.33Å |
| 102 | L | 90.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -96 | 14.7 | 175.7 | -59.6 | -177.1 | 0 | 0 | 0 | 112.3 | V55 I91 L95 E97 S98 R99 A100 I104 | V55-L102 HydrophobicContact CG1-CB 4Å; V55-L102 HydrophobicContact CG1-CD1 4.41Å; V55-L102 HydrophobicContact CG1-CD2 3.91Å; V55-L102 HydrophobicContact CG1-CG 4.31Å; V55-L102 HydrophobicContact CG2-CB 4.46Å; I91-L102 HydrophobicContact CG2-CD1 4.19Å; L95-L102 HydrophobicContact CD1-CD1 4.18Å; L95-L102 HydrophobicContact CD1-CD2 3.67Å; E97-L102 HydrophobicContact CB-CD2 3.85Å; E97-L102 HydrophobicContact CB-CG 4.13Å; E97-L102 HydrophobicContact CG-CD2 4.33Å; S98-L102 WeakPolarHBondContact O-CG 3.29Å; S98-L102 PolarHBondContact O-N 2.88Å; R99-L102 PolarHBondContact O-N 3.01Å; A100-L102 PolarHBondContact O-N 2.83Å; L102-I104 HydrophobicContact CB-CG1 4.49Å; L102-I104 PolarHBondContact O-N 3Å; L102-I104 VanDerWaalsContact O-N 3.16Å |
| 103 | N | 89.5 | Confident | 88.2 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 20.3 | -176.5 | -72.4 | -5.2 | 0 | 0 | 0 | 114.9 | L58 K63 R64 S65 A100 N101 | L58-N103 HydrophobicContact CB-CB 4.02Å; L58-N103 HydrophobicContact CD1-CB 4.48Å; L58-N103 PolarHBondContact O-ND2 2.87Å; K63-N103 VanDerWaalsContact O-CB 3.27Å; K63-N103 WeakPolarHBondContact O-CB 3.42Å; K63-N103 PolarHBondContact O-ND2 2.68Å; R64-N103 WeakPolarHBondContact CA-O 3.28Å; R64-N103 HydrophobicContact CG-CB 4.34Å; S65-N103 PolarHBondContact N-O 3.25Å; S65-N103 VanDerWaalsContact N-O 3.08Å; A100-N103 PolarHBondContact O-N 3.3Å; A100-N103 VanDerWaalsContact O-N 3.17Å; N101-N103 VanDerWaalsContact C-N 3.33Å |
| 104 | I | 89.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 105.1 | 175 | -55 | -179.8 | 0 | 0 | 0 | 108.9 | V55 L58 S65 K67 L70 I88 R99 L102 | V55-I104 HydrophobicContact CG2-CD1 3.86Å; L58-I104 HydrophobicContact CD1-CG1 4.05Å; S65-I104 CarbonylContact O-C 3.44Å; S65-I104 VanDerWaalsContact O-CA 3.25Å; S65-I104 WeakPolarHBondContact O-CA 3.4Å; K67-I104 HydrophobicContact CG-CG2 4.16Å; L70-I104 HydrophobicContact CD1-CD1 3.75Å; L70-I104 HydrophobicContact CD1-CG1 3.86Å; L70-I104 HydrophobicContact CD1-CG2 4Å; I88-I104 HydrophobicContact CD1-CD1 4.24Å; I88-I104 HydrophobicContact CD1-CG2 4.42Å; I88-I104 HydrophobicContact CG1-CD1 4.16Å; I88-I104 HydrophobicContact CG2-CD1 4.34Å; R99-I104 CarbonylContact C-O 3.54Å; R99-I104 HydrophobicContact CG-CB 3.52Å; R99-I104 HydrophobicContact CG-CG2 3.64Å; R99-I104 WeakPolarHBondContact CG-O 3.42Å; R99-I104 PolarHBondContact NH1-O 3.46Å; R99-I104 PolarHBondContact O-N 3.11Å; R99-I104 VanDerWaalsContact O-N 3.08Å; L102-I104 HydrophobicContact CB-CG1 4.49Å; L102-I104 PolarHBondContact O-N 3Å; L102-I104 VanDerWaalsContact O-N 3.16Å |
| 105 | L | 83.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 29.6 Ų | 29.6 | 19% | 0.194 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 150.4 | -173 | -55.7 | -172.4 | 0 | 0 | 0 | 113.2 | R64 S65 R99 D137 | R64-L105 HydrophobicContact CB-CD1 3.76Å; R64-L105 HydrophobicContact CB-CD2 4.45Å; R64-L105 HydrophobicContact CB-CG 3.95Å; R64-L105 HydrophobicContact CG-CD1 4.38Å; S65-L105 PolarHBondContact O-N 3.13Å; R99-L105 PolarHBondContact NH1-O 2.58Å; L105-D137 WeakPolarHBondContact CA-OD2 3.49Å; L105-D137 HydrophobicContact CB-CB 4.37Å; L105-D137 WeakPolarHBondContact CB-OD2 3.13Å; L105-D137 HydrophobicContact CD1-CB 4.31Å; L105-D137 HydrophobicContact CD2-CB 3.75Å; L105-D137 HydrophobicContact CG-CB 4.35Å |
| 106 | S | 76.1 | Confident | 89 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | trans | -87.9 | 137.9 | 168.7 | -40.4 | 0 | 0 | 0 | 0 | 109.4 | R99 G108 D137 | R99-S106 PolarHBondContact NH1-OG 2.84Å; R99-S106 PolarHBondContact NH2-OG 2.55Å; S106-G108 PolarHBondContact O-N 2.68Å; S106-G108 VanDerWaalsContact O-N 3.08Å; S106-D137 PolarHBondContact N-OD2 3.24Å | ||
| 107 | C | 75.9 | Confident | 89.3 | Confident | 85 Ų | 85 | 27.4 Ų | 27.4 | 57% | 0.574 | 14% | 0.142 | S | C | * | . | trans | -74 | 99.5 | 159.7 | -55.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 108 | G | 79.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | trans | -70.1 | 144.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S106 I135 D185 | S106-G108 PolarHBondContact O-N 2.68Å; S106-G108 VanDerWaalsContact O-N 3.08Å; G108-I135 CarbonylContact C-O 3.51Å; G108-I135 VanDerWaalsContact CA-O 3.26Å; G108-I135 WeakPolarHBondContact CA-O 3.21Å; G108-D185 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 109 | R | 89.3 | Confident | 89.8 | Confident | 138 Ų | 138 | 26.8 Ų | 26.8 | 52% | 0.521 | 14% | 0.14 | S | C | . | . | trans | -117.4 | -12 | 177.7 | -60.6 | 176.3 | -63 | 160.4 | 7.4 | 112.2 | D185 | R109-D185 PolarHBondContact N-OD2 3.04Š| ||
| 110 | G | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -67.7 | 157 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L134 I135 T179 | G110-L134 WeakPolarHBondContact O-CD1 3.46Å; G110-I135 WeakPolarHBondContact O-CB 3.35Å; G110-I135 PolarHBondContact O-N 2.76Å; G110-T179 CarbonylContact C-O 3.53Å; G110-T179 WeakPolarHBondContact CA-O 3.48Å | ||
| 111 | I | 96.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.8 | 179 | 57.6 | 177.1 | 0 | 0 | 0 | 109.5 | V133 L134 F160 A178 T179 | I111-V133 CarbonylContact C-O 3.56Å; I111-V133 WeakPolarHBondContact CA-O 3.38Å; I111-L134 HydrophobicContact CG2-CD1 4.29Å; I111-F160 HydrophobicContact CD1-CD1 3.63Å; I111-F160 HydrophobicContact CD1-CD2 4.41Å; I111-F160 HydrophobicContact CD1-CE1 3.47Å; I111-F160 VanDerWaalsContact CD1-CE1 3.47Å; I111-F160 HydrophobicContact CD1-CE2 4.26Å; I111-F160 HydrophobicContact CD1-CG 4.11Å; I111-F160 HydrophobicContact CD1-CZ 3.81Å; I111-F160 HydrophobicContact CG1-CD1 4.44Å; I111-F160 HydrophobicContact CG1-CD2 4.39Å; I111-F160 HydrophobicContact CG1-CE1 4.14Å; I111-F160 HydrophobicContact CG1-CE2 4.08Å; I111-F160 HydrophobicContact CG1-CZ 3.95Å; I111-A178 VanDerWaalsContact O-CA 3.28Å; I111-A178 WeakPolarHBondContact O-CA 2.83Å; I111-T179 HydrophobicContact CD1-CG2 3.81Å; I111-T179 HydrophobicContact CG1-CG2 3.37Å; I111-T179 PolarHBondContact N-O 3Å; I111-T179 PolarHBondContact O-N 3.16Å |
| 112 | I | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.4 | 176.7 | -67 | 175.6 | 0 | 0 | 0 | 109.2 | I116 F118 V133 I135 I176 L177 A178 V191 L195 | I112-I116 HydrophobicContact CG2-CG2 3.99Å; I112-F118 HydrophobicContact CD1-CZ 4.38Å; I112-V133 PolarHBondContact N-O 3.44Å; I112-V133 PolarHBondContact O-N 2.98Å; I112-I135 HydrophobicContact CD1-CD1 3.71Å; I112-I135 HydrophobicContact CD1-CG1 3.62Å; I112-I135 HydrophobicContact CG1-CD1 3.55Å; I112-I135 HydrophobicContact CG1-CG1 3.55Å; I112-I176 HydrophobicContact CG2-CG2 3.61Å; I112-L177 CarbonylContact C-O 3.38Å; I112-L177 WeakPolarHBondContact CA-O 3.31Å; I112-A178 HydrophobicContact CG1-CB 4Å; I112-V191 HydrophobicContact CD1-CG1 4.03Å; I112-L195 HydrophobicContact CD1-CD1 4.26Å |
| 113 | R | 96.8 | Very high | 89.1 | Confident | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 143.2 | 171.4 | -173 | 107.2 | 178.1 | 85.1 | 5.3 | 109.5 | A128 R129 V130 Q131 F160 M164 I176 L177 | R113-A128 CarbonylContact C-O 3.18Å; R113-A128 WeakPolarHBondContact CA-O 3.48Å; R113-A128 VanDerWaalsContact NH1-C 3.26Å; R113-A128 PolarHBondContact NH1-O 3.28Å; R113-R129 PolarHBondContact NH1-O 3.37Å; R113-R129 PolarHBondContact NH2-O 2.95Å; R113-V130 VanDerWaalsContact CZ-C 3.49Å; R113-V130 PolarHBondContact NH2-O 3.37Å; R113-Q131 VanDerWaalsContact NH1-C 3.31Å; R113-Q131 PolarHBondContact NH1-O 2.99Å; R113-F160 HydrophobicContact CB-CZ 3.8Å; R113-M164 HydrophobicContact CB-SD 4.15Å; R113-M164 HydrophobicContact CG-CE 3.65Å; R113-M164 HydrophobicContact CG-SD 3.73Å; R113-I176 CarbonylContact O-C 3.58Å; R113-L177 PolarHBondContact N-O 2.97Å; R113-L177 PolarHBondContact O-N 2.89Å; R113-L177 VanDerWaalsContact O-O 3.09Å |
| 114 | G | 96.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.1 | -155.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I116 A128 R129 Q169 G175 | G114-I116 PolarHBondContact O-N 3.13Å; G114-A128 PolarHBondContact N-O 2.86Å; G114-A128 CarbonylContact O-C 3.58Å; G114-R129 WeakPolarHBondContact O-CG 3.34Å; G114-R129 PolarHBondContact O-N 3.26Å; G114-R129 VanDerWaalsContact O-N 3.17Å; G114-Q169 VanDerWaalsContact CA-OE1 3.31Å; G114-G175 WeakPolarHBondContact CA-O 3.47Å |
| 115 | A | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.3 | 50.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S146 E147 A148 G175 | A115-S146 WeakPolarHBondContact O-CA 3.38Å; A115-S146 PolarHBondContact O-OG 2.98Å; A115-E147 PolarHBondContact O-N 2.85Å; A115-A148 HydrophobicContact CB-CB 4.12Å; A115-G175 PolarHBondContact N-O 2.72Å; A115-G175 VanDerWaalsContact N-O 3.16Å |
| 116 | I | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 141 | -177.8 | -174 | 163.1 | 0 | 0 | 0 | 112.3 | I112 G114 F118 A128 I144 I176 L195 | I112-I116 HydrophobicContact CG2-CG2 3.99Å; G114-I116 PolarHBondContact O-N 3.13Å; I116-F118 HydrophobicContact CD1-CE1 3.9Å; I116-F118 HydrophobicContact CD1-CE2 4.25Å; I116-F118 HydrophobicContact CD1-CZ 3.63Å; I116-F118 HydrophobicContact CG1-CE1 4.37Å; I116-F118 HydrophobicContact CG1-CE2 4.14Å; I116-F118 HydrophobicContact CG1-CZ 4.02Å; I116-F118 HydrophobicContact CG2-CE2 4.06Å; I116-F118 HydrophobicContact CG2-CZ 4.36Å; I116-A128 HydrophobicContact CG2-CB 3.65Å; I116-A128 WeakPolarHBondContact O-CA 3.46Å; I116-A128 WeakPolarHBondContact O-CB 3.27Å; I116-A128 PolarHBondContact O-N 3.39Å; I116-I144 HydrophobicContact CD1-CG2 3.54Å; I116-I144 HydrophobicContact CG1-CG2 3.68Å; I116-I176 HydrophobicContact CB-CD1 3.77Å; I116-I176 HydrophobicContact CB-CG1 4.22Å; I116-I176 HydrophobicContact CD1-CD1 4.14Å; I116-I176 HydrophobicContact CG2-CD1 3.98Å; I116-I176 HydrophobicContact CG2-CG1 4.08Å; I116-I176 HydrophobicContact CG2-CG2 4.34Å; I116-L195 HydrophobicContact CD1-CD1 4.4Å; I116-L195 HydrophobicContact CD1-CD2 3.4Å; I116-L195 VanDerWaalsContact CD1-CD2 3.4Å |
| 117 | T | 95.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 10% | 0.104 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.2 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 109.2 | V125 I126 D127 I145 | T117-V125 HydrophobicContact CG2-CG1 3.47Å; T117-V125 VanDerWaalsContact CG2-CG1 3.47Å; T117-I126 WeakPolarHBondContact CA-O 3.47Å; T117-D127 HydrophobicContact CG2-CB 4.31Å; T117-D127 PolarHBondContact OG1-OD1 2.97Å; T117-I145 PolarHBondContact N-O 3.41Å; T117-I145 PolarHBondContact O-N 3.17Å |
| 118 | F | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.6 | 177.9 | -59.6 | -84.8 | 0 | 0 | 0 | 110.3 | I112 I116 V120 I126 A128 V133 L139 S142 I144 | I112-F118 HydrophobicContact CD1-CZ 4.38Å; I116-F118 HydrophobicContact CD1-CE1 3.9Å; I116-F118 HydrophobicContact CD1-CE2 4.25Å; I116-F118 HydrophobicContact CD1-CZ 3.63Å; I116-F118 HydrophobicContact CG1-CE1 4.37Å; I116-F118 HydrophobicContact CG1-CE2 4.14Å; I116-F118 HydrophobicContact CG1-CZ 4.02Å; I116-F118 HydrophobicContact CG2-CE2 4.06Å; I116-F118 HydrophobicContact CG2-CZ 4.36Å; F118-V120 HydrophobicContact CB-CG2 4.09Å; F118-I126 HydrophobicContact CB-CB 4.37Å; F118-I126 PolarHBondContact N-O 2.93Å; F118-I126 PolarHBondContact O-N 2.95Å; F118-A128 HydrophobicContact CE2-CB 4.47Å; F118-V133 HydrophobicContact CD2-CG1 4.36Å; F118-V133 HydrophobicContact CE2-CG1 4.39Å; F118-L139 HydrophobicContact CB-CD2 4.21Å; F118-L139 HydrophobicContact CD1-CD2 4.1Å; F118-L139 HydrophobicContact CD2-CD2 4.34Å; F118-L139 HydrophobicContact CE1-CB 4.46Å; F118-L139 HydrophobicContact CE1-CD1 4.36Å; F118-L139 HydrophobicContact CE2-CD1 4.4Å; F118-L139 HydrophobicContact CG-CD2 3.96Å; F118-L139 HydrophobicContact CZ-CD1 4.21Å; F118-S142 WeakPolarHBondContact CD1-OG 3.31Å; F118-I144 HydrophobicContact CD1-CG1 3.99Å; F118-I144 HydrophobicContact CE1-CD1 4.31Å; F118-I144 HydrophobicContact CE1-CG1 4.21Å |
| 119 | L | 93.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 49 Ų | 49 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 97.9 | 172.2 | -56 | 176.7 | 0 | 0 | 0 | 107.3 | V125 S142 N143 I145 | L119-V125 HydrophobicContact CD2-CB 4.29Å; L119-V125 HydrophobicContact CD2-CG1 4.09Å; L119-V125 HydrophobicContact CD2-CG2 3.72Å; L119-S142 WeakPolarHBondContact O-CA 3.47Å; L119-S142 WeakPolarHBondContact O-CB 3.41Å; L119-N143 HydrophobicContact CB-CB 4.03Å; L119-N143 HydrophobicContact CD1-CB 4.18Å; L119-N143 PolarHBondContact N-O 3.24Å; L119-N143 PolarHBondContact O-N 2.86Å; L119-I145 HydrophobicContact CD1-CD1 3.95Å; L119-I145 HydrophobicContact CD1-CG1 4.3Å; L119-I145 HydrophobicContact CG-CD1 4.49Å |
| 120 | V | 89.2 | Confident | 92.3 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.9 | -173.8 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | F118 N122 V123 G124 I126 L139 | F118-V120 HydrophobicContact CB-CG2 4.09Å; V120-N122 PolarHBondContact O-N 3.27Å; V120-V123 HydrophobicContact CB-CB 4.01Å; V120-V123 HydrophobicContact CB-CG2 4.46Å; V120-V123 HydrophobicContact CG1-CB 3.93Å; V120-V123 HydrophobicContact CG1-CG2 3.82Å; V120-V123 PolarHBondContact O-N 3.39Å; V120-G124 PolarHBondContact N-O 3.18Å; V120-G124 PolarHBondContact O-N 2.68Å; V120-I126 HydrophobicContact CB-CD1 4.47Å; V120-I126 HydrophobicContact CG2-CD1 3.8Å; V120-I126 HydrophobicContact CG2-CG1 4.47Å; V120-L139 HydrophobicContact CG2-CD2 4.03Å |
| 121 | E | 82.1 | Confident | 92.2 | Very high | 154 Ų | 154 | 52.9 Ų | 52.9 | 72% | 0.72 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.7 | 175.5 | -66.6 | -176.1 | 173.3 | 0 | 0 | 110.8 | V123 | E121-V123 PolarHBondContact O-N 3.05Š|
| 122 | N | 79.8 | Confident | 92.1 | Very high | 173 Ų | 173 | 56.2 Ų | 56.2 | 93% | 0.925 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -4.5 | -178.7 | -49.3 | -55.9 | 0 | 0 | 0 | 116.9 | V120 | V120-N122 PolarHBondContact O-N 3.27Š|
| 123 | V | 83.2 | Confident | 92.1 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -39.2 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | V120 E121 I126 | V120-V123 HydrophobicContact CB-CB 4.01Å; V120-V123 HydrophobicContact CB-CG2 4.46Å; V120-V123 HydrophobicContact CG1-CB 3.93Å; V120-V123 HydrophobicContact CG1-CG2 3.82Å; V120-V123 PolarHBondContact O-N 3.39Å; E121-V123 PolarHBondContact O-N 3.05Å; V123-I126 HydrophobicContact CG1-CD1 4.04Å; V123-I126 HydrophobicContact CG1-CG1 4.41Å |
| 124 | G | 88.4 | Confident | 91.9 | Very high | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.7 | -148.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V120 | V120-G124 PolarHBondContact N-O 3.18Å; V120-G124 PolarHBondContact O-N 2.68Å |
| 125 | V | 93.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 59 Ų | 59 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.4 | -175 | -173.2 | 0 | 0 | 0 | 0 | 110 | T117 L119 | T117-V125 HydrophobicContact CG2-CG1 3.47Å; T117-V125 VanDerWaalsContact CG2-CG1 3.47Å; L119-V125 HydrophobicContact CD2-CB 4.29Å; L119-V125 HydrophobicContact CD2-CG1 4.09Å; L119-V125 HydrophobicContact CD2-CG2 3.72Å |
| 126 | I | 93.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.1 | 176.1 | -53.3 | 177.7 | 0 | 0 | 0 | 108.2 | T117 F118 V120 V123 V133 | T117-I126 WeakPolarHBondContact CA-O 3.47Å; F118-I126 HydrophobicContact CB-CB 4.37Å; F118-I126 PolarHBondContact N-O 2.93Å; F118-I126 PolarHBondContact O-N 2.95Å; V120-I126 HydrophobicContact CB-CD1 4.47Å; V120-I126 HydrophobicContact CG2-CD1 3.8Å; V120-I126 HydrophobicContact CG2-CG1 4.47Å; V123-I126 HydrophobicContact CG1-CD1 4.04Å; V123-I126 HydrophobicContact CG1-CG1 4.41Å; I126-V133 HydrophobicContact CG2-CB 4.44Å; I126-V133 HydrophobicContact CG2-CG1 4.01Å; I126-V133 HydrophobicContact CG2-CG2 3.54Å |
| 127 | D | 94.4 | Very high | 90.7 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 109.3 | 178.2 | -170.9 | 3.3 | 0 | 0 | 0 | 111.8 | T117 R129 V130 Q131 | T117-D127 HydrophobicContact CG2-CB 4.31Å; T117-D127 PolarHBondContact OG1-OD1 2.97Å; D127-R129 PolarHBondContact O-N 3.11Å; D127-R129 VanDerWaalsContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CB 3.35Å; D127-R129 WeakPolarHBondContact OD1-CG 3.43Å; D127-R129 PolarHBondContact OD1-N 2.86Å; D127-V130 HydrophobicContact CB-CG2 4.48Å; D127-V130 PolarHBondContact O-N 3.22Å; D127-Q131 PolarHBondContact O-N 2.99Å |
| 128 | A | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R113 G114 I116 F118 Q131 V133 | R113-A128 CarbonylContact C-O 3.18Å; R113-A128 WeakPolarHBondContact CA-O 3.48Å; R113-A128 VanDerWaalsContact NH1-C 3.26Å; R113-A128 PolarHBondContact NH1-O 3.28Å; G114-A128 PolarHBondContact N-O 2.86Å; G114-A128 CarbonylContact O-C 3.58Å; I116-A128 HydrophobicContact CG2-CB 3.65Å; I116-A128 WeakPolarHBondContact O-CA 3.46Å; I116-A128 WeakPolarHBondContact O-CB 3.27Å; I116-A128 PolarHBondContact O-N 3.39Å; F118-A128 HydrophobicContact CE2-CB 4.47Å; A128-Q131 CarbonylContact C-O 3.42Å; A128-Q131 WeakPolarHBondContact CA-O 3.43Å; A128-V133 HydrophobicContact CB-CB 4.45Å; A128-V133 HydrophobicContact CB-CG2 3.62Å |
| 129 | R | 92.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 63 Ų | 63 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -18.4 | 169.4 | -60 | 178.2 | -148.1 | -145.9 | 5.6 | 113.6 | R113 G114 D127 E147 | R113-R129 PolarHBondContact NH1-O 3.37Å; R113-R129 PolarHBondContact NH2-O 2.95Å; G114-R129 WeakPolarHBondContact O-CG 3.34Å; G114-R129 PolarHBondContact O-N 3.26Å; G114-R129 VanDerWaalsContact O-N 3.17Å; D127-R129 PolarHBondContact O-N 3.11Å; D127-R129 VanDerWaalsContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CB 3.35Å; D127-R129 WeakPolarHBondContact OD1-CG 3.43Å; D127-R129 PolarHBondContact OD1-N 2.86Å; R129-E147 IonicContact CZ-OE2 2.68Å; R129-E147 IonicContact NH1-OE2 3.29Å; R129-E147 PolarHBondContact NH1-OE2 2.75Å; R129-E147 IonicContact NH2-OE2 3.7Å; R129-E147 PolarHBondContact NH2-OE2 3.24Å |
| 130 | V | 91.2 | Very high | 89.4 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 68% | 0.679 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -34.2 | 178.2 | -176 | 0 | 0 | 0 | 0 | 112.9 | R113 D127 | R113-V130 VanDerWaalsContact CZ-C 3.49Å; R113-V130 PolarHBondContact NH2-O 3.37Å; D127-V130 HydrophobicContact CB-CG2 4.48Å; D127-V130 PolarHBondContact O-N 3.22Å |
| 131 | Q | 92.8 | Very high | 89.1 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -134.7 | 164.7 | 178.1 | 65.7 | -174.4 | 25.9 | 0 | 0 | 113.9 | R113 D127 A128 V133 | R113-Q131 VanDerWaalsContact NH1-C 3.31Å; R113-Q131 PolarHBondContact NH1-O 2.99Å; D127-Q131 PolarHBondContact O-N 2.99Å; A128-Q131 CarbonylContact C-O 3.42Å; A128-Q131 WeakPolarHBondContact CA-O 3.43Å; Q131-V133 HydrophobicContact CG-CG2 4.46Å |
| 132 | E | 94.8 | Very high | 89.4 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | trans | -70.8 | 135.1 | 164.9 | -64.3 | -178.3 | 173.2 | 0 | 0 | 110.1 | F160 Q161 | E132-F160 HydrophobicContact CG-CE1 4.46Å; E132-Q161 PolarHBondContact OE1-NE2 2.87Å | ||
| 133 | V | 95.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.3 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | I111 I112 F118 I126 A128 Q131 I135 L139 | I111-V133 CarbonylContact C-O 3.56Å; I111-V133 WeakPolarHBondContact CA-O 3.38Å; I112-V133 PolarHBondContact N-O 3.44Å; I112-V133 PolarHBondContact O-N 2.98Å; F118-V133 HydrophobicContact CD2-CG1 4.36Å; F118-V133 HydrophobicContact CE2-CG1 4.39Å; I126-V133 HydrophobicContact CG2-CB 4.44Å; I126-V133 HydrophobicContact CG2-CG1 4.01Å; I126-V133 HydrophobicContact CG2-CG2 3.54Å; A128-V133 HydrophobicContact CB-CB 4.45Å; A128-V133 HydrophobicContact CB-CG2 3.62Å; Q131-V133 HydrophobicContact CG-CG2 4.46Å; V133-I135 PolarHBondContact O-N 3.24Å; V133-L139 HydrophobicContact CG1-CD1 4.07Å; V133-L139 HydrophobicContact CG1-CD2 4.47Å |
| 134 | L | 94 | Very high | 90.4 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 126.9 | 172.4 | -175.2 | 73.1 | 0 | 0 | 0 | 109.9 | G110 I111 T136 | G110-L134 WeakPolarHBondContact O-CD1 3.46Å; I111-L134 HydrophobicContact CG2-CD1 4.29Å; L134-T136 HydrophobicContact CD2-CG2 3.86Å; L134-T136 HydrophobicContact CG-CG2 4.02Å; L134-T136 PolarHBondContact O-N 2.83Å |
| 135 | I | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -72.8 | 115.3 | 174.4 | -57.5 | 174.4 | 0 | 0 | 0 | 108.9 | G108 G110 I112 V133 T188 V191 | G108-I135 CarbonylContact C-O 3.51Å; G108-I135 VanDerWaalsContact CA-O 3.26Å; G108-I135 WeakPolarHBondContact CA-O 3.21Å; G110-I135 WeakPolarHBondContact O-CB 3.35Å; G110-I135 PolarHBondContact O-N 2.76Å; I112-I135 HydrophobicContact CD1-CD1 3.71Å; I112-I135 HydrophobicContact CD1-CG1 3.62Å; I112-I135 HydrophobicContact CG1-CD1 3.55Å; I112-I135 HydrophobicContact CG1-CG1 3.55Å; V133-I135 PolarHBondContact O-N 3.24Å; I135-T188 HydrophobicContact CD1-CG2 3.68Å; I135-V191 HydrophobicContact CG2-CB 3.81Å; I135-V191 HydrophobicContact CG2-CG1 4.23Å; I135-V191 HydrophobicContact CG2-CG2 3.66Å | ||
| 136 | T | 87.5 | Confident | 90.6 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | trans | -130.6 | 162.5 | 175.2 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | L134 A138 L139 | L134-T136 HydrophobicContact CD2-CG2 3.86Å; L134-T136 HydrophobicContact CG-CG2 4.02Å; L134-T136 PolarHBondContact O-N 2.83Å; T136-A138 PolarHBondContact O-N 2.69Å; T136-A138 VanDerWaalsContact O-N 3.1Å; T136-L139 WeakPolarHBondContact O-CB 3.33Å; T136-L139 PolarHBondContact O-N 2.79Å | ||
| 137 | D | 82.1 | Confident | 90.4 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61.9 | -18 | 176 | -71 | -26.1 | 0 | 0 | 0 | 112.6 | L105 S106 L139 L140 F141 A187 | L105-D137 WeakPolarHBondContact CA-OD2 3.49Å; L105-D137 HydrophobicContact CB-CB 4.37Å; L105-D137 WeakPolarHBondContact CB-OD2 3.13Å; L105-D137 HydrophobicContact CD1-CB 4.31Å; L105-D137 HydrophobicContact CD2-CB 3.75Å; L105-D137 HydrophobicContact CG-CB 4.35Å; S106-D137 PolarHBondContact N-OD2 3.24Å; D137-L139 PolarHBondContact O-N 3.39Å; D137-L140 HydrophobicContact CB-CD1 4.02Å; D137-L140 VanDerWaalsContact O-CB 3.27Å; D137-L140 WeakPolarHBondContact O-CB 3.22Å; D137-L140 WeakPolarHBondContact O-CG 3.26Å; D137-L140 PolarHBondContact O-N 3.49Å; D137-L140 VanDerWaalsContact O-N 3.15Å; D137-F141 WeakPolarHBondContact O-CD2 3.31Å; D137-A187 WeakPolarHBondContact OD1-CA 3.19Å; D137-A187 VanDerWaalsContact OD1-CB 3.27Å; D137-A187 WeakPolarHBondContact OD1-CB 3.46Å |
| 138 | A | 81.9 | Confident | 90.4 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -62.1 | -30.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | T136 L140 F141 | T136-A138 PolarHBondContact O-N 2.69Å; T136-A138 VanDerWaalsContact O-N 3.1Å; A138-L140 PolarHBondContact O-N 2.67Å; A138-F141 PolarHBondContact O-N 3.23Å |
| 139 | L | 88.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -69.1 | -22.5 | 177.3 | -59.4 | -174.9 | 0 | 0 | 0 | 112.6 | F118 V120 V133 T136 D137 F141 S142 V191 | F118-L139 HydrophobicContact CB-CD2 4.21Å; F118-L139 HydrophobicContact CD1-CD2 4.1Å; F118-L139 HydrophobicContact CD2-CD2 4.34Å; F118-L139 HydrophobicContact CE1-CB 4.46Å; F118-L139 HydrophobicContact CE1-CD1 4.36Å; F118-L139 HydrophobicContact CE2-CD1 4.4Å; F118-L139 HydrophobicContact CG-CD2 3.96Å; F118-L139 HydrophobicContact CZ-CD1 4.21Å; V120-L139 HydrophobicContact CG2-CD2 4.03Å; V133-L139 HydrophobicContact CG1-CD1 4.07Å; V133-L139 HydrophobicContact CG1-CD2 4.47Å; T136-L139 WeakPolarHBondContact O-CB 3.33Å; T136-L139 PolarHBondContact O-N 2.79Å; D137-L139 PolarHBondContact O-N 3.39Å; L139-F141 PolarHBondContact O-N 2.94Å; L139-S142 WeakPolarHBondContact O-CB 3.08Å; L139-S142 PolarHBondContact O-N 2.89Å; L139-S142 PolarHBondContact O-OG 3.3Å; L139-V191 HydrophobicContact CB-CG2 3.97Å |
| 140 | L | 85.1 | Confident | 90.4 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61.7 | -33.9 | 179.4 | -62.5 | 174.1 | 0 | 0 | 0 | 112.7 | D137 A138 N190 V191 | D137-L140 HydrophobicContact CB-CD1 4.02Å; D137-L140 VanDerWaalsContact O-CB 3.27Å; D137-L140 WeakPolarHBondContact O-CB 3.22Å; D137-L140 WeakPolarHBondContact O-CG 3.26Å; D137-L140 PolarHBondContact O-N 3.49Å; D137-L140 VanDerWaalsContact O-N 3.15Å; A138-L140 PolarHBondContact O-N 2.67Å; L140-N190 HydrophobicContact CD1-CB 3.96Å; L140-N190 HydrophobicContact CD2-CB 3.45Å; L140-N190 VanDerWaalsContact CD2-CB 3.45Å; L140-N190 HydrophobicContact CG-CB 4.35Å; L140-V191 HydrophobicContact CD2-CB 4.23Å; L140-V191 HydrophobicContact CD2-CG2 3.48Å; L140-V191 VanDerWaalsContact CD2-CG2 3.48Å; L140-V191 HydrophobicContact CG-CG2 3.99Å |
| 141 | F | 82.6 | Confident | 90.7 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -97.5 | 0.3 | -177.2 | -52.4 | -71.7 | 0 | 0 | 0 | 112.4 | D137 A138 L139 | D137-F141 WeakPolarHBondContact O-CD2 3.31Å; A138-F141 PolarHBondContact O-N 3.23Å; L139-F141 PolarHBondContact O-N 2.94Å |
| 142 | S | 87.4 | Confident | 90.9 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | trans | -77.6 | 151.7 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | F118 L119 L139 K198 | F118-S142 WeakPolarHBondContact CD1-OG 3.31Å; L119-S142 WeakPolarHBondContact O-CA 3.47Å; L119-S142 WeakPolarHBondContact O-CB 3.41Å; L139-S142 WeakPolarHBondContact O-CB 3.08Å; L139-S142 PolarHBondContact O-N 2.89Å; L139-S142 PolarHBondContact O-OG 3.3Å; S142-K198 PolarHBondContact O-NZ 3.36Å; S142-K198 VanDerWaalsContact O-NZ 3.13Å | ||
| 143 | N | 90.9 | Very high | 91.1 | Very high | 107 Ų | 107 | 36.3 Ų | 36.3 | 57% | 0.572 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 148 | 166.3 | -71.4 | -42.2 | 0 | 0 | 0 | 109.6 | L119 | L119-N143 HydrophobicContact CB-CB 4.03Å; L119-N143 HydrophobicContact CD1-CB 4.18Å; L119-N143 PolarHBondContact N-O 3.24Å; L119-N143 PolarHBondContact O-N 2.86Å |
| 144 | I | 93.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.2 | -168.4 | -58.5 | 166.9 | 0 | 0 | 0 | 110.4 | I116 F118 M194 L195 K198 R199 | I116-I144 HydrophobicContact CD1-CG2 3.54Å; I116-I144 HydrophobicContact CG1-CG2 3.68Å; F118-I144 HydrophobicContact CD1-CG1 3.99Å; F118-I144 HydrophobicContact CE1-CD1 4.31Å; F118-I144 HydrophobicContact CE1-CG1 4.21Å; I144-M194 HydrophobicContact CD1-CE 3.3Å; I144-M194 HydrophobicContact CD1-SD 4.02Å; I144-L195 HydrophobicContact CD1-CD2 3.52Å; I144-L195 HydrophobicContact CG2-CD2 4.41Å; I144-K198 HydrophobicContact CD1-CD 4.24Å; I144-R199 PolarHBondContact O-NH2 3.38Å |
| 145 | I | 92.9 | Very high | 91.3 | Very high | 90 Ų | 90 | 32.3 Ų | 32.3 | 46% | 0.462 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.4 | 168.6 | -57.4 | 174.6 | 0 | 0 | 0 | 106.8 | T117 L119 | T117-I145 PolarHBondContact N-O 3.41Å; T117-I145 PolarHBondContact O-N 3.17Å; L119-I145 HydrophobicContact CD1-CD1 3.95Å; L119-I145 HydrophobicContact CD1-CG1 4.3Å; L119-I145 HydrophobicContact CG-CD1 4.49Å |
| 146 | S | 93.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 141.5 | -175.9 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | A115 A148 F201 | A115-S146 WeakPolarHBondContact O-CA 3.38Å; A115-S146 PolarHBondContact O-OG 2.98Å; S146-A148 VanDerWaalsContact OG-CB 3.28Å; S146-A148 WeakPolarHBondContact OG-CB 3.48Å; S146-A148 PolarHBondContact OG-N 2.86Å; S146-F201 VanDerWaalsContact OG-CZ 3.27Å; S146-F201 WeakPolarHBondContact OG-CZ 3.42Å |
| 147 | E | 91.1 | Very high | 91.6 | Very high | 115 Ų | 115 | 34.4 Ų | 34.4 | 54% | 0.537 | 18% | 0.18 | S | C | . | . | trans | -108.8 | 10.2 | 171.6 | -65.3 | 166.8 | 147.9 | 0 | 0 | 110.5 | A115 R129 R174 | A115-E147 PolarHBondContact O-N 2.85Å; R129-E147 IonicContact CZ-OE2 2.68Å; R129-E147 IonicContact NH1-OE2 3.29Å; R129-E147 PolarHBondContact NH1-OE2 2.75Å; R129-E147 IonicContact NH2-OE2 3.7Å; R129-E147 PolarHBondContact NH2-OE2 3.24Å; E147-R174 VanDerWaalsContact O-CZ 3.24Å; E147-R174 PolarHBondContact O-NE 2.93Å; E147-R174 PolarHBondContact O-NH2 3.16Å | ||
| 148 | A | 93.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | trans | -67.5 | 144.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A115 S146 R174 I176 F201 | A115-A148 HydrophobicContact CB-CB 4.12Å; S146-A148 VanDerWaalsContact OG-CB 3.28Å; S146-A148 WeakPolarHBondContact OG-CB 3.48Å; S146-A148 PolarHBondContact OG-N 2.86Å; A148-R174 CarbonylContact C-O 3.59Å; A148-R174 WeakPolarHBondContact CA-O 3.2Å; A148-R174 WeakPolarHBondContact CB-O 3.43Å; A148-I176 HydrophobicContact CB-CD1 3.33Å; A148-I176 HydrophobicContact CB-CG1 3.55Å; A148-F201 HydrophobicContact CB-CE1 4.16Å; A148-F201 VanDerWaalsContact O-CE1 3.25Å; A148-F201 WeakPolarHBondContact O-CE1 3.31Å | ||
| 149 | D | 93 | Very high | 92.8 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -91.9 | -29.1 | 174 | -70.3 | -39.1 | 0 | 0 | 0 | 111.8 | R174 P202 | D149-R174 HydrophobicContact CB-CB 4.32Å; D149-R174 PolarHBondContact N-O 3.19Å; D149-R174 IonicContact OD1-CZ 2.7Å; D149-R174 IonicContact OD1-NE 2.84Å; D149-R174 IonicContact OD1-NH1 3.52Å; D149-R174 PolarHBondContact OD1-NH1 3.38Å; D149-R174 IonicContact OD1-NH2 2.87Å; D149-R174 PolarHBondContact OD1-NH2 3Å; D149-R174 VanDerWaalsContact OD2-CB 3.25Å; D149-R174 WeakPolarHBondContact OD2-CB 3.08Å; D149-R174 VanDerWaalsContact OD2-CD 3.23Å; D149-R174 WeakPolarHBondContact OD2-CD 3.49Å; D149-R174 IonicContact OD2-CZ 3.16Å; D149-R174 IonicContact OD2-NE 2.58Å; D149-R174 PolarHBondContact OD2-NE 2.79Å; D149-R174 IonicContact OD2-NH1 3.13Å; D149-R174 PolarHBondContact OD2-NH1 3.42Å; D149-R174 IonicContact OD2-NH2 3.63Å; D149-P202 VanDerWaalsContact O-CD 3.24Å; D149-P202 WeakPolarHBondContact O-CD 3.24Å |
| 150 | F | 95.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 165.3 | 179.8 | 67.8 | -84.9 | 0 | 0 | 0 | 112.7 | L152 F168 F172 I176 P202 Y204 V321 | F150-L152 HydrophobicContact CD2-CB 4.25Å; F150-L152 HydrophobicContact CE2-CB 3.95Å; F150-F168 HydrophobicContact CE2-CZ 4.17Å; F150-F168 HydrophobicContact CZ-CZ 4.19Å; F150-F172 HydrophobicContact CE1-CB 4.31Å; F150-F172 HydrophobicContact CE1-CD1 4.01Å; F150-F172 HydrophobicContact CE1-CG 4.45Å; F150-F172 HydrophobicContact CZ-CB 3.91Å; F150-F172 AromaticContact CZ-CD1 3.67Å; F150-F172 HydrophobicContact CZ-CD1 3.67Å; F150-F172 HydrophobicContact CZ-CE1 4.37Å; F150-F172 AromaticContact CZ-CG 3.86Å; F150-F172 HydrophobicContact CZ-CG 3.86Å; F150-I176 PolarHBondContact O-N 2.81Å; F150-P202 WeakPolarHBondContact CA-O 3.47Å; F150-P202 HydrophobicContact CB-CB 4.44Å; F150-Y204 HydrophobicContact CB-CD2 3.84Å; F150-Y204 HydrophobicContact CB-CE2 3.59Å; F150-Y204 AromaticContact CD2-CD2 3.9Å; F150-Y204 HydrophobicContact CD2-CD2 3.9Å; F150-Y204 HydrophobicContact CD2-CE2 4.37Å; F150-Y204 HydrophobicContact CG-CD2 4.11Å; F150-Y204 HydrophobicContact CG-CE2 4.11Å; F150-V321 HydrophobicContact CD1-CG1 3.59Å; F150-V321 HydrophobicContact CD2-CG1 4.1Å; F150-V321 HydrophobicContact CE1-CG1 3.7Å; F150-V321 HydrophobicContact CE2-CG1 4.18Å; F150-V321 HydrophobicContact CE2-CG2 4.32Å; F150-V321 HydrophobicContact CG-CG1 3.81Å; F150-V321 HydrophobicContact CZ-CG1 4Å |
| 151 | I | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.7 | 168.5 | -56.8 | 170 | 0 | 0 | 0 | 108.8 | V153 I176 A178 L192 L195 F201 P202 I203 Y204 | I151-V153 HydrophobicContact CG2-CG2 4.25Å; I151-I176 CarbonylContact C-O 3.59Å; I151-I176 WeakPolarHBondContact CA-O 3.32Å; I151-I176 HydrophobicContact CB-CB 4.45Å; I151-I176 HydrophobicContact CG1-CB 4.01Å; I151-I176 HydrophobicContact CG1-CD1 3.97Å; I151-I176 HydrophobicContact CG1-CG2 4.31Å; I151-I176 HydrophobicContact CG2-CB 4.43Å; I151-I176 HydrophobicContact CG2-CG2 4.21Å; I151-A178 HydrophobicContact CG2-CB 4.27Å; I151-L192 HydrophobicContact CG2-CD2 3.9Å; I151-L195 HydrophobicContact CD1-CB 3.76Å; I151-L195 HydrophobicContact CD1-CD1 3.81Å; I151-L195 HydrophobicContact CD1-CG 4.36Å; I151-F201 HydrophobicContact CD1-CB 3.93Å; I151-F201 HydrophobicContact CD1-CD2 3.87Å; I151-F201 HydrophobicContact CD1-CG 4.24Å; I151-F201 HydrophobicContact CG1-CB 4.06Å; I151-F201 HydrophobicContact CG1-CD2 4.41Å; I151-F201 HydrophobicContact CG1-CG 4.41Å; I151-P202 PolarHBondContact N-O 3Å; I151-I203 HydrophobicContact CB-CG1 4.25Å; I151-I203 HydrophobicContact CB-CG2 4.4Å; I151-I203 HydrophobicContact CD1-CD1 4.17Å; I151-I203 HydrophobicContact CD1-CG1 4.23Å; I151-I203 CarbonylContact O-C 3.59Å; I151-I203 WeakPolarHBondContact O-CA 3.36Å; I151-Y204 PolarHBondContact O-N 3.48Å |
| 152 | L | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.9 | 169.9 | -179.6 | 65.9 | 0 | 0 | 0 | 109.9 | F150 V154 L163 F168 I176 L177 A178 Y204 L206 I242 I317 | F150-L152 HydrophobicContact CD2-CB 4.25Å; F150-L152 HydrophobicContact CE2-CB 3.95Å; L152-V154 HydrophobicContact CD2-CG1 4.23Å; L152-V154 HydrophobicContact CG-CG1 4.12Å; L152-L163 HydrophobicContact CD2-CD1 4.45Å; L152-F168 HydrophobicContact CB-CZ 4.48Å; L152-F168 HydrophobicContact CD2-CE2 3.82Å; L152-F168 HydrophobicContact CD2-CZ 4.2Å; L152-I176 PolarHBondContact N-O 2.75Å; L152-L177 HydrophobicContact CB-CD1 4.19Å; L152-L177 HydrophobicContact CD2-CD1 3.84Å; L152-L177 HydrophobicContact CG-CD1 4.06Å; L152-L177 CarbonylContact O-C 3.56Å; L152-L177 WeakPolarHBondContact O-CA 3.4Å; L152-A178 PolarHBondContact O-N 2.78Å; L152-Y204 CarbonylContact C-O 3.59Å; L152-Y204 WeakPolarHBondContact CA-O 3.39Å; L152-L206 HydrophobicContact CD1-CB 4.09Å; L152-I242 HydrophobicContact CD1-CD1 3.83Å; L152-I317 HydrophobicContact CD2-CD1 3.65Å; L152-I317 HydrophobicContact CD2-CG1 4.18Å; L152-I317 HydrophobicContact CD2-CG2 3.96Å |
| 153 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.4 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | I151 A178 L192 I203 Y204 G205 L206 Y220 I239 | I151-V153 HydrophobicContact CG2-CG2 4.25Å; V153-A178 CarbonylContact C-O 3.59Å; V153-A178 VanDerWaalsContact CA-O 3.3Å; V153-A178 WeakPolarHBondContact CA-O 3.24Å; V153-A178 HydrophobicContact CG2-CB 4.39Å; V153-L192 HydrophobicContact CG2-CD1 3.86Å; V153-L192 HydrophobicContact CG2-CD2 4.06Å; V153-I203 HydrophobicContact CG2-CG2 3.74Å; V153-Y204 PolarHBondContact N-O 3.14Å; V153-G205 CarbonylContact O-C 3.55Å; V153-G205 WeakPolarHBondContact O-CA 3.25Å; V153-L206 PolarHBondContact O-N 3.44Å; V153-Y220 HydrophobicContact CG1-CE1 4.15Å; V153-Y220 HydrophobicContact CG1-CE2 3.9Å; V153-Y220 WeakPolarHBondContact CG1-OH 3.29Å; V153-I239 HydrophobicContact CB-CD1 4.45Å; V153-I239 HydrophobicContact CG2-CD1 4.37Å |
| 154 | V | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.6 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | L152 T159 F160 L163 L177 A178 T179 L206 | L152-V154 HydrophobicContact CD2-CG1 4.23Å; L152-V154 HydrophobicContact CG-CG1 4.12Å; V154-T159 HydrophobicContact CB-CG2 4.36Å; V154-T159 HydrophobicContact CG1-CG2 4.45Å; V154-F160 HydrophobicContact CG2-CB 3.69Å; V154-F160 HydrophobicContact CG2-CD2 4.08Å; V154-F160 HydrophobicContact CG2-CG 4.4Å; V154-L163 HydrophobicContact CG1-CD1 3.89Å; V154-L177 HydrophobicContact CG1-CD1 3.87Å; V154-L177 HydrophobicContact CG2-CD1 4.41Å; V154-A178 PolarHBondContact N-O 2.75Å; V154-T179 WeakPolarHBondContact O-CA 3.48Å; V154-T179 WeakPolarHBondContact O-CB 3.34Å; V154-T179 PolarHBondContact O-OG1 3.45Å; V154-L206 WeakPolarHBondContact CA-O 3.46Å; V154-L206 HydrophobicContact CG1-CB 4.24Å; V154-L206 HydrophobicContact CG1-CD2 4.24Å |
| 155 | E | 96 | Very high | 94.9 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -61.5 | -57.7 | -177.2 | -172 | 178.6 | 151.2 | 0 | 0 | 113.1 | T179 K181 G182 L206 F207 D208 G213 I216 L301 | E155-T179 PolarHBondContact O-OG1 3.31Å; E155-K181 CarbonylContact O-C 3.56Å; E155-G182 PolarHBondContact O-N 3.43Å; E155-L206 PolarHBondContact N-O 3.48Å; E155-F207 HydrophobicContact CB-CD1 3.93Å; E155-F207 HydrophobicContact CG-CD1 4.39Å; E155-D208 PolarHBondContact OE2-N 2.83Å; E155-G213 WeakPolarHBondContact OE2-CA 3.42Å; E155-I216 HydrophobicContact CG-CD1 3.81Å; E155-I216 VanDerWaalsContact OE1-CD1 3.29Å; E155-I216 WeakPolarHBondContact OE1-CD1 3.39Å; E155-L301 HydrophobicContact CB-CD1 4.46Å |
| 156 | K | 92.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 17% | 0.174 | 17% | 0.17 | C | C | . | . | trans | -99 | 150 | -168.8 | -66.5 | 175.9 | -179.6 | 157.3 | 0 | 112.5 | T158 T159 F160 D208 E300 E302 | K156-T158 VanDerWaalsContact C-N 3.29Å; K156-T158 WeakPolarHBondContact CB-OG1 3.47Å; K156-T158 PolarHBondContact O-N 3.18Å; K156-T159 PolarHBondContact O-N 3.07Å; K156-F160 PolarHBondContact O-N 3.02Å; K156-F160 VanDerWaalsContact O-N 3.11Å; K156-D208 WeakPolarHBondContact CE-OD2 3.39Å; K156-D208 IonicContact NZ-OD1 3.62Å; K156-D208 IonicContact NZ-OD2 2.68Å; K156-D208 PolarHBondContact NZ-OD2 2.72Å; K156-E300 IonicContact NZ-OE2 3.65Å; K156-E300 PolarHBondContact NZ-OE2 2.94Å; K156-E302 VanDerWaalsContact CD-OE1 3.24Å; K156-E302 WeakPolarHBondContact CD-OE1 3.44Å; K156-E302 IonicContact NZ-OE1 3.84Å; K156-E302 IonicContact NZ-OE2 2.67Å; K156-E302 PolarHBondContact NZ-OE2 2.64Å | ||
| 157 | D | 94.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 171.3 | -158.5 | 34.7 | 0 | 0 | 0 | 111.3 | T159 F160 Q161 K181 | D157-T159 PolarHBondContact O-N 2.81Å; D157-F160 WeakPolarHBondContact O-CB 3.33Å; D157-F160 PolarHBondContact O-N 2.86Å; D157-Q161 WeakPolarHBondContact O-CB 3.47Å; D157-Q161 VanDerWaalsContact O-CG 3.29Å; D157-Q161 WeakPolarHBondContact O-CG 3Å; D157-Q161 PolarHBondContact O-N 3.45Å; D157-K181 HydrophobicContact CB-CB 4.32Å; D157-K181 HydrophobicContact CB-CD 3.99Å; D157-K181 HydrophobicContact CB-CG 3.91Å; D157-K181 WeakPolarHBondContact OD1-CE 3.44Å; D157-K181 IonicContact OD1-NZ 3.35Å; D157-K181 PolarHBondContact OD1-NZ 3.41Å; D157-K181 IonicContact OD2-NZ 2.69Å; D157-K181 PolarHBondContact OD2-NZ 3.02Å |
| 158 | T | 93.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 32.4 Ų | 32.4 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | K156 Q161 K162 E302 | K156-T158 VanDerWaalsContact C-N 3.29Å; K156-T158 WeakPolarHBondContact CB-OG1 3.47Å; K156-T158 PolarHBondContact O-N 3.18Å; T158-Q161 PolarHBondContact O-N 3.21Å; T158-K162 WeakPolarHBondContact O-CB 3.17Å; T158-K162 PolarHBondContact O-N 3.49Å; T158-E302 PolarHBondContact OG1-OE1 2.92Å |
| 159 | T | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.5 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | V154 K156 D157 K162 L163 L301 M312 | V154-T159 HydrophobicContact CB-CG2 4.36Å; V154-T159 HydrophobicContact CG1-CG2 4.45Å; K156-T159 PolarHBondContact O-N 3.07Å; D157-T159 PolarHBondContact O-N 2.81Å; T159-K162 PolarHBondContact O-N 2.76Å; T159-L163 HydrophobicContact CG2-CD1 4.31Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 3.22Å; T159-L301 HydrophobicContact CG2-CD1 4.3Å; T159-M312 HydrophobicContact CG2-CE 4Å; T159-M312 HydrophobicContact CG2-SD 3.63Å |
| 160 | F | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -53.3 | 175.2 | -177.8 | -80.8 | 0 | 0 | 0 | 111.5 | I111 R113 E132 V154 K156 D157 K162 L163 M164 L177 T179 | I111-F160 HydrophobicContact CD1-CD1 3.63Å; I111-F160 HydrophobicContact CD1-CD2 4.41Å; I111-F160 HydrophobicContact CD1-CE1 3.47Å; I111-F160 VanDerWaalsContact CD1-CE1 3.47Å; I111-F160 HydrophobicContact CD1-CE2 4.26Å; I111-F160 HydrophobicContact CD1-CG 4.11Å; I111-F160 HydrophobicContact CD1-CZ 3.81Å; I111-F160 HydrophobicContact CG1-CD1 4.44Å; I111-F160 HydrophobicContact CG1-CD2 4.39Å; I111-F160 HydrophobicContact CG1-CE1 4.14Å; I111-F160 HydrophobicContact CG1-CE2 4.08Å; I111-F160 HydrophobicContact CG1-CZ 3.95Å; R113-F160 HydrophobicContact CB-CZ 3.8Å; E132-F160 HydrophobicContact CG-CE1 4.46Å; V154-F160 HydrophobicContact CG2-CB 3.69Å; V154-F160 HydrophobicContact CG2-CD2 4.08Å; V154-F160 HydrophobicContact CG2-CG 4.4Å; K156-F160 PolarHBondContact O-N 3.02Å; K156-F160 VanDerWaalsContact O-N 3.11Å; D157-F160 WeakPolarHBondContact O-CB 3.33Å; D157-F160 PolarHBondContact O-N 2.86Å; F160-K162 VanDerWaalsContact C-N 3.34Å; F160-K162 PolarHBondContact O-N 3.4Å; F160-L163 PolarHBondContact O-N 2.89Å; F160-M164 HydrophobicContact CD1-CG 4.02Å; F160-M164 HydrophobicContact CE1-CG 3.74Å; F160-M164 HydrophobicContact CZ-CG 4.37Å; F160-M164 WeakPolarHBondContact O-CG 2.93Å; F160-M164 PolarHBondContact O-N 2.96Å; F160-L177 HydrophobicContact CD1-CD2 4.43Å; F160-L177 HydrophobicContact CD2-CB 4.48Å; F160-L177 HydrophobicContact CD2-CD2 3.51Å; F160-L177 HydrophobicContact CD2-CG 3.52Å; F160-L177 HydrophobicContact CE2-CB 3.98Å; F160-L177 HydrophobicContact CE2-CD2 3.62Å; F160-L177 HydrophobicContact CE2-CG 3.5Å; F160-L177 HydrophobicContact CG-CD2 3.96Å; F160-L177 HydrophobicContact CG-CG 4.42Å; F160-L177 HydrophobicContact CZ-CD2 4.13Å; F160-L177 HydrophobicContact CZ-CG 4.39Å; F160-T179 HydrophobicContact CB-CG2 3.77Å; F160-T179 HydrophobicContact CD2-CG2 3.53Å; F160-T179 HydrophobicContact CE2-CG2 4.24Å; F160-T179 HydrophobicContact CG-CG2 3.71Å |
| 161 | Q | 95.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | -179.2 | -66.6 | -60.2 | -41.9 | 0 | 0 | 111.3 | E132 D157 T158 L163 M164 D165 | E132-Q161 PolarHBondContact OE1-NE2 2.87Å; D157-Q161 WeakPolarHBondContact O-CB 3.47Å; D157-Q161 VanDerWaalsContact O-CG 3.29Å; D157-Q161 WeakPolarHBondContact O-CG 3Å; D157-Q161 PolarHBondContact O-N 3.45Å; T158-Q161 PolarHBondContact O-N 3.21Å; Q161-L163 PolarHBondContact O-N 3.45Å; Q161-M164 WeakPolarHBondContact O-CB 3.3Å; Q161-M164 PolarHBondContact O-N 3.4Å; Q161-M164 VanDerWaalsContact O-N 3.14Å; Q161-D165 VanDerWaalsContact O-CG 3.32Å; Q161-D165 PolarHBondContact O-N 2.82Å |
| 162 | K | 94.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 176 | 175.5 | 154.5 | 170.9 | 159.4 | 0 | 112.8 | T158 T159 F160 M164 D165 E166 N305 | T158-K162 WeakPolarHBondContact O-CB 3.17Å; T158-K162 PolarHBondContact O-N 3.49Å; T159-K162 PolarHBondContact O-N 2.76Å; F160-K162 VanDerWaalsContact C-N 3.34Å; F160-K162 PolarHBondContact O-N 3.4Å; K162-M164 VanDerWaalsContact C-N 3.28Å; K162-M164 PolarHBondContact O-N 2.87Å; K162-D165 PolarHBondContact O-N 3.01Å; K162-E166 WeakPolarHBondContact CE-OE1 3.22Å; K162-E166 IonicContact NZ-OE1 3.3Å; K162-E166 WeakPolarHBondContact O-CB 3.27Å; K162-E166 WeakPolarHBondContact O-CG 2.99Å; K162-E166 PolarHBondContact O-N 3.41Å; K162-N305 HydrophobicContact CD-CB 3.93Å; K162-N305 VanDerWaalsContact CE-OD1 3.27Å; K162-N305 WeakPolarHBondContact CE-OD1 3.23Å; K162-N305 VanDerWaalsContact NZ-CB 3.32Å; K162-N305 PolarHBondContact NZ-O 3.2Å |
| 163 | L | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 175.3 | -73 | 171.6 | 0 | 0 | 0 | 111.7 | L152 V154 T159 F160 Q161 E166 N167 F168 L177 M312 A313 I317 | L152-L163 HydrophobicContact CD2-CD1 4.45Å; V154-L163 HydrophobicContact CG1-CD1 3.89Å; T159-L163 HydrophobicContact CG2-CD1 4.31Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 3.22Å; F160-L163 PolarHBondContact O-N 2.89Å; Q161-L163 PolarHBondContact O-N 3.45Å; L163-E166 CarbonylContact O-C 3.56Å; L163-E166 PolarHBondContact O-N 2.73Å; L163-N167 PolarHBondContact O-N 3.47Å; L163-F168 HydrophobicContact CB-CB 4.3Å; L163-F168 HydrophobicContact CB-CD2 4.47Å; L163-F168 WeakPolarHBondContact O-CB 3.27Å; L163-F168 PolarHBondContact O-N 2.7Å; L163-L177 HydrophobicContact CB-CD2 4.11Å; L163-L177 HydrophobicContact CD1-CD1 4Å; L163-L177 HydrophobicContact CD1-CD2 4.5Å; L163-M312 HydrophobicContact CD1-SD 4.42Å; L163-M312 HydrophobicContact CD2-CG 4.42Å; L163-M312 HydrophobicContact CD2-SD 4.16Å; L163-M312 HydrophobicContact CG-SD 4.4Å; L163-A313 HydrophobicContact CD2-CB 4.19Å; L163-I317 HydrophobicContact CD1-CD1 4.08Å; L163-I317 HydrophobicContact CD2-CD1 3.93Å |
| 164 | M | 94.3 | Very high | 94 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.2 | -71.9 | -57.8 | -52.5 | 0 | 0 | 112.2 | R113 F160 Q161 K162 E166 N167 L177 | R113-M164 HydrophobicContact CB-SD 4.15Å; R113-M164 HydrophobicContact CG-CE 3.65Å; R113-M164 HydrophobicContact CG-SD 3.73Å; F160-M164 HydrophobicContact CD1-CG 4.02Å; F160-M164 HydrophobicContact CE1-CG 3.74Å; F160-M164 HydrophobicContact CZ-CG 4.37Å; F160-M164 WeakPolarHBondContact O-CG 2.93Å; F160-M164 PolarHBondContact O-N 2.96Å; Q161-M164 WeakPolarHBondContact O-CB 3.3Å; Q161-M164 PolarHBondContact O-N 3.4Å; Q161-M164 VanDerWaalsContact O-N 3.14Å; K162-M164 VanDerWaalsContact C-N 3.28Å; K162-M164 PolarHBondContact O-N 2.87Å; M164-E166 VanDerWaalsContact C-N 3.28Å; M164-E166 PolarHBondContact O-N 3.15Å; M164-N167 PolarHBondContact O-N 3.1Å; M164-L177 HydrophobicContact CG-CD2 4.14Å; M164-L177 HydrophobicContact SD-CD2 4.06Å |
| 165 | D | 94.1 | Very high | 93.9 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 68% | 0.684 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.4 | -34 | 177.2 | -69.2 | -23.3 | 0 | 0 | 0 | 112.2 | Q161 K162 N167 | Q161-D165 VanDerWaalsContact O-CG 3.32Å; Q161-D165 PolarHBondContact O-N 2.82Å; K162-D165 PolarHBondContact O-N 3.01Å; D165-N167 PolarHBondContact O-N 2.9Å |
| 166 | E | 93.3 | Very high | 94 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 16.1 | 174.4 | -70.3 | -176.4 | 163.5 | 0 | 0 | 113.2 | K162 L163 M164 F168 E310 | K162-E166 WeakPolarHBondContact CE-OE1 3.22Å; K162-E166 IonicContact NZ-OE1 3.3Å; K162-E166 WeakPolarHBondContact O-CB 3.27Å; K162-E166 WeakPolarHBondContact O-CG 2.99Å; K162-E166 PolarHBondContact O-N 3.41Å; L163-E166 CarbonylContact O-C 3.56Å; L163-E166 PolarHBondContact O-N 2.73Å; M164-E166 VanDerWaalsContact C-N 3.28Å; M164-E166 PolarHBondContact O-N 3.15Å; E166-F168 PolarHBondContact O-N 3.35Å; E166-E310 HydrophobicContact CB-CG 3.96Å; E166-E310 VanDerWaalsContact CD-N 3.26Å; E166-E310 HydrophobicContact CG-CG 4.28Å; E166-E310 PolarHBondContact OE1-N 3.43Å; E166-E310 VanDerWaalsContact OE2-CA 3.27Å; E166-E310 WeakPolarHBondContact OE2-CA 3.49Å; E166-E310 PolarHBondContact OE2-N 3.32Å |
| 167 | N | 89.4 | Confident | 94.2 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 51 | 179 | -69.2 | -47.3 | 0 | 0 | 0 | 113.6 | L163 M164 D165 Q169 A170 M171 | L163-N167 PolarHBondContact O-N 3.47Å; M164-N167 PolarHBondContact O-N 3.1Å; D165-N167 PolarHBondContact O-N 2.9Å; N167-Q169 PolarHBondContact O-N 2.78Å; N167-A170 HydrophobicContact CB-CB 3.97Å; N167-A170 WeakPolarHBondContact O-CB 3.25Å; N167-A170 PolarHBondContact O-N 2.97Å; N167-M171 PolarHBondContact O-N 3.27Å |
| 168 | F | 93 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -43.7 | -42.3 | 174.6 | 177.2 | -94.8 | 0 | 0 | 0 | 113.3 | F150 L152 L163 E166 A170 M171 F172 L177 | F150-F168 HydrophobicContact CE2-CZ 4.17Å; F150-F168 HydrophobicContact CZ-CZ 4.19Å; L152-F168 HydrophobicContact CB-CZ 4.48Å; L152-F168 HydrophobicContact CD2-CE2 3.82Å; L152-F168 HydrophobicContact CD2-CZ 4.2Å; L163-F168 HydrophobicContact CB-CB 4.3Å; L163-F168 HydrophobicContact CB-CD2 4.47Å; L163-F168 WeakPolarHBondContact O-CB 3.27Å; L163-F168 PolarHBondContact O-N 2.7Å; E166-F168 PolarHBondContact O-N 3.35Å; F168-A170 VanDerWaalsContact C-N 3.28Å; F168-A170 PolarHBondContact O-N 2.86Å; F168-M171 PolarHBondContact O-N 3.26Å; F168-F172 AromaticContact CD2-CD2 3.54Å; F168-F172 HydrophobicContact CD2-CD2 3.54Å; F168-F172 AromaticContact CD2-CE2 3.99Å; F168-F172 HydrophobicContact CD2-CE2 3.99Å; F168-F172 HydrophobicContact CE1-CB 4.08Å; F168-F172 HydrophobicContact CE1-CD2 4.39Å; F168-F172 HydrophobicContact CE2-CB 4.39Å; F168-F172 AromaticContact CE2-CD2 3.29Å; F168-F172 HydrophobicContact CE2-CD2 3.29Å; F168-F172 AromaticContact CE2-CE2 3.74Å; F168-F172 HydrophobicContact CE2-CE2 3.74Å; F168-F172 HydrophobicContact CE2-CG 4.05Å; F168-F172 HydrophobicContact CG-CD2 4.19Å; F168-F172 HydrophobicContact CZ-CB 3.98Å; F168-F172 AromaticContact CZ-CD2 3.76Å; F168-F172 HydrophobicContact CZ-CD2 3.76Å; F168-F172 HydrophobicContact CZ-CG 4.07Å; F168-F172 PolarHBondContact O-N 3.07Å; F168-L177 HydrophobicContact CD1-CB 4.22Å; F168-L177 HydrophobicContact CE1-CB 4.03Å; F168-L177 HydrophobicContact CE2-CD1 4.45Å; F168-L177 HydrophobicContact CZ-CD1 4.42Å |
| 169 | Q | 92.8 | Very high | 94.5 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -25.4 | -179.7 | -155.3 | 68.3 | 35.2 | 0 | 0 | 113.7 | G114 N167 F172 P173 G175 | G114-Q169 VanDerWaalsContact CA-OE1 3.31Å; N167-Q169 PolarHBondContact O-N 2.78Å; Q169-F172 PolarHBondContact NE2-O 3.06Å; Q169-F172 CarbonylContact O-C 3.56Å; Q169-P173 PolarHBondContact NE2-O 2.84Å; Q169-P173 WeakPolarHBondContact O-CA 3.28Å; Q169-P173 VanDerWaalsContact O-N 3.13Å; Q169-G175 PolarHBondContact NE2-O 2.74Å |
| 170 | A | 92.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 65% | 0.653 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -71.9 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N167 F168 | N167-A170 HydrophobicContact CB-CB 3.97Å; N167-A170 WeakPolarHBondContact O-CB 3.25Å; N167-A170 PolarHBondContact O-N 2.97Å; F168-A170 VanDerWaalsContact C-N 3.28Å; F168-A170 PolarHBondContact O-N 2.86Å |
| 171 | M | 91.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 43 Ų | 43 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -80.6 | -35.6 | 177.6 | -169 | 176.5 | -54 | 0 | 0 | 112.5 | N167 F168 P173 E310 A313 R314 | N167-M171 PolarHBondContact O-N 3.27Å; F168-M171 PolarHBondContact O-N 3.26Å; M171-P173 VanDerWaalsContact C-CD 3.5Å; M171-P173 WeakPolarHBondContact O-CD 3.38Å; M171-E310 HydrophobicContact CE-CB 4.37Å; M171-A313 HydrophobicContact CE-CB 3.67Å; M171-A313 VanDerWaalsContact SD-C 3.58Å; M171-A313 HydrophobicContact SD-CB 3.52Å; M171-A313 VanDerWaalsContact SD-CB 3.52Å; M171-R314 HydrophobicContact CE-CG 3.41Å; M171-R314 VanDerWaalsContact CE-CG 3.41Å; M171-R314 HydrophobicContact SD-CG 3.97Å |
| 172 | F | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | trans | -125.2 | 74.4 | 178.8 | -52.7 | -79.2 | 0 | 0 | 0 | 110.4 | F150 F168 Q169 R174 G175 A313 I317 A318 | F150-F172 HydrophobicContact CE1-CB 4.31Å; F150-F172 HydrophobicContact CE1-CD1 4.01Å; F150-F172 HydrophobicContact CE1-CG 4.45Å; F150-F172 HydrophobicContact CZ-CB 3.91Å; F150-F172 AromaticContact CZ-CD1 3.67Å; F150-F172 HydrophobicContact CZ-CD1 3.67Å; F150-F172 HydrophobicContact CZ-CE1 4.37Å; F150-F172 AromaticContact CZ-CG 3.86Å; F150-F172 HydrophobicContact CZ-CG 3.86Å; F168-F172 AromaticContact CD2-CD2 3.54Å; F168-F172 HydrophobicContact CD2-CD2 3.54Å; F168-F172 AromaticContact CD2-CE2 3.99Å; F168-F172 HydrophobicContact CD2-CE2 3.99Å; F168-F172 HydrophobicContact CE1-CB 4.08Å; F168-F172 HydrophobicContact CE1-CD2 4.39Å; F168-F172 HydrophobicContact CE2-CB 4.39Å; F168-F172 AromaticContact CE2-CD2 3.29Å; F168-F172 HydrophobicContact CE2-CD2 3.29Å; F168-F172 AromaticContact CE2-CE2 3.74Å; F168-F172 HydrophobicContact CE2-CE2 3.74Å; F168-F172 HydrophobicContact CE2-CG 4.05Å; F168-F172 HydrophobicContact CG-CD2 4.19Å; F168-F172 HydrophobicContact CZ-CB 3.98Å; F168-F172 AromaticContact CZ-CD2 3.76Å; F168-F172 HydrophobicContact CZ-CD2 3.76Å; F168-F172 HydrophobicContact CZ-CG 4.07Å; F168-F172 PolarHBondContact O-N 3.07Å; Q169-F172 PolarHBondContact NE2-O 3.06Å; Q169-F172 CarbonylContact O-C 3.56Å; F172-R174 PolarHBondContact O-N 2.81Å; F172-R174 VanDerWaalsContact O-N 3.08Å; F172-G175 PolarHBondContact O-N 2.87Å; F172-A313 HydrophobicContact CE2-CB 4.26Å; F172-I317 HydrophobicContact CE1-CG2 4.36Å; F172-I317 HydrophobicContact CE2-CG2 4.1Å; F172-I317 HydrophobicContact CZ-CB 4.26Å; F172-I317 HydrophobicContact CZ-CG2 3.72Å; F172-A318 HydrophobicContact CE1-CB 3.95Å; F172-A318 HydrophobicContact CZ-CB 3.74Å | ||
| 173 | P | 93.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.2 | -178.3 | -26.1 | 35.2 | 0 | 0 | 0 | 114.2 | Q169 M171 | Q169-P173 PolarHBondContact NE2-O 2.84Å; Q169-P173 WeakPolarHBondContact O-CA 3.28Å; Q169-P173 VanDerWaalsContact O-N 3.13Å; M171-P173 VanDerWaalsContact C-CD 3.5Å; M171-P173 WeakPolarHBondContact O-CD 3.38Å |
| 174 | R | 94.2 | Very high | 93.9 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 16.8 | 177.8 | -58 | -179.2 | 69 | -147.1 | -5.9 | 112.2 | E147 A148 D149 F172 | E147-R174 VanDerWaalsContact O-CZ 3.24Å; E147-R174 PolarHBondContact O-NE 2.93Å; E147-R174 PolarHBondContact O-NH2 3.16Å; A148-R174 CarbonylContact C-O 3.59Å; A148-R174 WeakPolarHBondContact CA-O 3.2Å; A148-R174 WeakPolarHBondContact CB-O 3.43Å; D149-R174 HydrophobicContact CB-CB 4.32Å; D149-R174 PolarHBondContact N-O 3.19Å; D149-R174 IonicContact OD1-CZ 2.7Å; D149-R174 IonicContact OD1-NE 2.84Å; D149-R174 IonicContact OD1-NH1 3.52Å; D149-R174 PolarHBondContact OD1-NH1 3.38Å; D149-R174 IonicContact OD1-NH2 2.87Å; D149-R174 PolarHBondContact OD1-NH2 3Å; D149-R174 VanDerWaalsContact OD2-CB 3.25Å; D149-R174 WeakPolarHBondContact OD2-CB 3.08Å; D149-R174 VanDerWaalsContact OD2-CD 3.23Å; D149-R174 WeakPolarHBondContact OD2-CD 3.49Å; D149-R174 IonicContact OD2-CZ 3.16Å; D149-R174 IonicContact OD2-NE 2.58Å; D149-R174 PolarHBondContact OD2-NE 2.79Å; D149-R174 IonicContact OD2-NH1 3.13Å; D149-R174 PolarHBondContact OD2-NH1 3.42Å; D149-R174 IonicContact OD2-NH2 3.63Å; F172-R174 PolarHBondContact O-N 2.81Å; F172-R174 VanDerWaalsContact O-N 3.08Å |
| 175 | G | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 147.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G114 A115 Q169 F172 | G114-G175 WeakPolarHBondContact CA-O 3.47Å; A115-G175 PolarHBondContact N-O 2.72Å; A115-G175 VanDerWaalsContact N-O 3.16Å; Q169-G175 PolarHBondContact NE2-O 2.74Å; F172-G175 PolarHBondContact O-N 2.87Å |
| 176 | I | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.2 | 162 | -63.2 | 164.3 | 0 | 0 | 0 | 107.5 | I112 R113 I116 A148 F150 I151 L152 | I112-I176 HydrophobicContact CG2-CG2 3.61Å; R113-I176 CarbonylContact O-C 3.58Å; I116-I176 HydrophobicContact CB-CD1 3.77Å; I116-I176 HydrophobicContact CB-CG1 4.22Å; I116-I176 HydrophobicContact CD1-CD1 4.14Å; I116-I176 HydrophobicContact CG2-CD1 3.98Å; I116-I176 HydrophobicContact CG2-CG1 4.08Å; I116-I176 HydrophobicContact CG2-CG2 4.34Å; A148-I176 HydrophobicContact CB-CD1 3.33Å; A148-I176 HydrophobicContact CB-CG1 3.55Å; F150-I176 PolarHBondContact O-N 2.81Å; I151-I176 CarbonylContact C-O 3.59Å; I151-I176 WeakPolarHBondContact CA-O 3.32Å; I151-I176 HydrophobicContact CB-CB 4.45Å; I151-I176 HydrophobicContact CG1-CB 4.01Å; I151-I176 HydrophobicContact CG1-CD1 3.97Å; I151-I176 HydrophobicContact CG1-CG2 4.31Å; I151-I176 HydrophobicContact CG2-CB 4.43Å; I151-I176 HydrophobicContact CG2-CG2 4.21Å; L152-I176 PolarHBondContact N-O 2.75Å |
| 177 | L | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.3 | 171.9 | -169 | 67.1 | 0 | 0 | 0 | 109.6 | I112 R113 L152 V154 F160 L163 M164 F168 | I112-L177 CarbonylContact C-O 3.38Å; I112-L177 WeakPolarHBondContact CA-O 3.31Å; R113-L177 PolarHBondContact N-O 2.97Å; R113-L177 PolarHBondContact O-N 2.89Å; R113-L177 VanDerWaalsContact O-O 3.09Å; L152-L177 HydrophobicContact CB-CD1 4.19Å; L152-L177 HydrophobicContact CD2-CD1 3.84Å; L152-L177 HydrophobicContact CG-CD1 4.06Å; L152-L177 CarbonylContact O-C 3.56Å; L152-L177 WeakPolarHBondContact O-CA 3.4Å; V154-L177 HydrophobicContact CG1-CD1 3.87Å; V154-L177 HydrophobicContact CG2-CD1 4.41Å; F160-L177 HydrophobicContact CD1-CD2 4.43Å; F160-L177 HydrophobicContact CD2-CB 4.48Å; F160-L177 HydrophobicContact CD2-CD2 3.51Å; F160-L177 HydrophobicContact CD2-CG 3.52Å; F160-L177 HydrophobicContact CE2-CB 3.98Å; F160-L177 HydrophobicContact CE2-CD2 3.62Å; F160-L177 HydrophobicContact CE2-CG 3.5Å; F160-L177 HydrophobicContact CG-CD2 3.96Å; F160-L177 HydrophobicContact CG-CG 4.42Å; F160-L177 HydrophobicContact CZ-CD2 4.13Å; F160-L177 HydrophobicContact CZ-CG 4.39Å; L163-L177 HydrophobicContact CB-CD2 4.11Å; L163-L177 HydrophobicContact CD1-CD1 4Å; L163-L177 HydrophobicContact CD1-CD2 4.5Å; M164-L177 HydrophobicContact CG-CD2 4.14Å; M164-L177 HydrophobicContact SD-CD2 4.06Å; F168-L177 HydrophobicContact CD1-CB 4.22Å; F168-L177 HydrophobicContact CE1-CB 4.03Å; F168-L177 HydrophobicContact CE2-CD1 4.45Å; F168-L177 HydrophobicContact CZ-CD1 4.42Å |
| 178 | A | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I111 I112 I151 L152 V153 V154 L192 | I111-A178 VanDerWaalsContact O-CA 3.28Å; I111-A178 WeakPolarHBondContact O-CA 2.83Å; I112-A178 HydrophobicContact CG1-CB 4Å; I151-A178 HydrophobicContact CG2-CB 4.27Å; L152-A178 PolarHBondContact O-N 2.78Å; V153-A178 CarbonylContact C-O 3.59Å; V153-A178 VanDerWaalsContact CA-O 3.3Å; V153-A178 WeakPolarHBondContact CA-O 3.24Å; V153-A178 HydrophobicContact CG2-CB 4.39Å; V154-A178 PolarHBondContact N-O 2.75Å; A178-L192 HydrophobicContact CB-CD2 4.33Å |
| 179 | T | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150.9 | 168.5 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | G110 I111 V154 E155 F160 K181 | G110-T179 CarbonylContact C-O 3.53Å; G110-T179 WeakPolarHBondContact CA-O 3.48Å; I111-T179 HydrophobicContact CD1-CG2 3.81Å; I111-T179 HydrophobicContact CG1-CG2 3.37Å; I111-T179 PolarHBondContact N-O 3Å; I111-T179 PolarHBondContact O-N 3.16Å; V154-T179 WeakPolarHBondContact O-CA 3.48Å; V154-T179 WeakPolarHBondContact O-CB 3.34Å; V154-T179 PolarHBondContact O-OG1 3.45Å; E155-T179 PolarHBondContact O-OG1 3.31Å; F160-T179 HydrophobicContact CB-CG2 3.77Å; F160-T179 HydrophobicContact CD2-CG2 3.53Å; F160-T179 HydrophobicContact CE2-CG2 4.24Å; F160-T179 HydrophobicContact CG-CG2 3.71Å; T179-K181 HydrophobicContact CG2-CG 4.25Å; T179-K181 PolarHBondContact OG1-N 3.05Å |
| 180 | S | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -99.8 | 1.8 | 168.4 | 48.5 | 0 | 0 | 0 | 0 | 114 | G182 Y220 | S180-G182 PolarHBondContact OG-O 2.87Å; S180-Y220 WeakPolarHBondContact CB-OH 3.31Å; S180-Y220 PolarHBondContact OG-OH 2.97Å | ||
| 181 | K | 93.4 | Very high | 93.5 | Very high | 85 Ų | 85 | 25.4 Ų | 25.4 | 37% | 0.37 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 57.4 | 52.4 | -174.7 | -45.6 | -169.3 | 179.8 | -145.8 | 0 | 111.9 | E155 D157 T179 | E155-K181 CarbonylContact O-C 3.56Å; D157-K181 HydrophobicContact CB-CB 4.32Å; D157-K181 HydrophobicContact CB-CD 3.99Å; D157-K181 HydrophobicContact CB-CG 3.91Å; D157-K181 WeakPolarHBondContact OD1-CE 3.44Å; D157-K181 IonicContact OD1-NZ 3.35Å; D157-K181 PolarHBondContact OD1-NZ 3.41Å; D157-K181 IonicContact OD2-NZ 2.69Å; D157-K181 PolarHBondContact OD2-NZ 3.02Å; T179-K181 HydrophobicContact CG2-CG 4.25Å; T179-K181 PolarHBondContact OG1-N 3.05Å |
| 182 | G | 92.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 23 Ų | 23 | 16% | 0.155 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 104.2 | -136.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E155 S180 | E155-G182 PolarHBondContact O-N 3.43Å; S180-G182 PolarHBondContact OG-O 2.87Å |
| 183 | Y | 92.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 24.7 Ų | 24.7 | 36% | 0.357 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -58.7 | 129.7 | -178.9 | -81.1 | -94.9 | 0 | 0 | 0 | 112.6 | D185 H212 E215 I216 K269 | Y183-D185 PolarHBondContact O-N 3.28Å; Y183-H212 PolarHBondContact OH-ND1 2.95Å; Y183-E215 HydrophobicContact CE1-CG 4.29Å; Y183-E215 PolarHBondContact OH-OE2 2.78Å; Y183-I216 HydrophobicContact CD1-CG1 3.76Å; Y183-I216 HydrophobicContact CD2-CD1 3.97Å; Y183-I216 HydrophobicContact CD2-CG1 3.98Å; Y183-I216 HydrophobicContact CE1-CG1 3.8Å; Y183-I216 HydrophobicContact CE2-CD1 4.04Å; Y183-I216 HydrophobicContact CE2-CG1 4Å; Y183-I216 HydrophobicContact CG-CD1 4.28Å; Y183-I216 HydrophobicContact CG-CG1 3.87Å; Y183-K269 PolarHBondContact OH-NZ 3.47Å |
| 184 | P | 92.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 7% | 0.065 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 134.9 | -176.9 | 22.5 | -33 | 0 | 0 | 0 | 112.7 | R189 T219 Y220 | P184-R189 HydrophobicContact CB-CG 3.79Å; P184-R189 HydrophobicContact CG-CG 4.33Å; P184-R189 PolarHBondContact O-NH1 3.14Å; P184-T219 HydrophobicContact CG-CG2 3.86Å; P184-Y220 HydrophobicContact CB-CD1 4.08Å; P184-Y220 HydrophobicContact CB-CD2 4.24Å; P184-Y220 HydrophobicContact CB-CE1 3.59Å; P184-Y220 HydrophobicContact CB-CE2 3.78Å; P184-Y220 HydrophobicContact CB-CG 4.39Å; P184-Y220 VanDerWaalsContact CB-CZ 3.46Å; P184-Y220 HydrophobicContact CG-CD1 4.2Å; P184-Y220 HydrophobicContact CG-CD2 3.75Å; P184-Y220 HydrophobicContact CG-CE1 4.12Å; P184-Y220 HydrophobicContact CG-CE2 3.67Å; P184-Y220 HydrophobicContact CG-CG 4.03Å |
| 185 | D | 89.8 | Confident | 93.5 | Very high | 20 Ų | 20 | 15.8 Ų | 15.8 | 11% | 0.107 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 167.8 | 166.5 | 62.6 | 50.2 | 0 | 0 | 0 | 111.6 | G108 R109 Y183 A187 T188 R189 | G108-D185 WeakPolarHBondContact CA-OD2 3.37Å; R109-D185 PolarHBondContact N-OD2 3.04Å; Y183-D185 PolarHBondContact O-N 3.28Å; D185-A187 VanDerWaalsContact C-N 3.34Å; D185-A187 PolarHBondContact O-N 3.45Å; D185-A187 PolarHBondContact OD1-N 2.83Å; D185-T188 VanDerWaalsContact CG-OG1 3.31Å; D185-T188 VanDerWaalsContact OD1-CB 3.27Å; D185-T188 WeakPolarHBondContact OD1-CB 3.49Å; D185-T188 PolarHBondContact OD1-N 2.69Å; D185-T188 PolarHBondContact OD1-OG1 3.38Å; D185-T188 PolarHBondContact OD2-OG1 3.44Å; D185-R189 PolarHBondContact O-N 3.49Å |
| 186 | I | 89.6 | Confident | 93.3 | Very high | 16 Ų | 16 | 16.4 Ų | 16.4 | 8% | 0.082 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | -177.5 | -69.2 | 166.9 | 0 | 0 | 0 | 111.4 | R189 N190 E230 A234 | I186-R189 PolarHBondContact O-N 2.87Å; I186-N190 WeakPolarHBondContact CG2-ND2 3.27Å; I186-N190 WeakPolarHBondContact O-CB 3.4Å; I186-N190 VanDerWaalsContact O-CG 3.3Å; I186-N190 PolarHBondContact O-N 3.49Å; I186-N190 PolarHBondContact O-ND2 3.44Å; I186-E230 HydrophobicContact CD1-CB 4.29Å; I186-A234 HydrophobicContact CG2-CB 4Å |
| 187 | A | 89.9 | Confident | 93 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D137 D185 R189 N190 V191 | D137-A187 WeakPolarHBondContact OD1-CA 3.19Å; D137-A187 VanDerWaalsContact OD1-CB 3.27Å; D137-A187 WeakPolarHBondContact OD1-CB 3.46Å; D185-A187 VanDerWaalsContact C-N 3.34Å; D185-A187 PolarHBondContact O-N 3.45Å; D185-A187 PolarHBondContact OD1-N 2.83Å; A187-R189 PolarHBondContact O-N 3.24Å; A187-N190 PolarHBondContact O-N 2.77Å; A187-V191 WeakPolarHBondContact O-CG2 3.36Å; A187-V191 PolarHBondContact O-N 3.49Å |
| 188 | T | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | I135 D185 N190 V191 L192 Y220 | I135-T188 HydrophobicContact CD1-CG2 3.68Å; D185-T188 VanDerWaalsContact CG-OG1 3.31Å; D185-T188 VanDerWaalsContact OD1-CB 3.27Å; D185-T188 WeakPolarHBondContact OD1-CB 3.49Å; D185-T188 PolarHBondContact OD1-N 2.69Å; D185-T188 PolarHBondContact OD1-OG1 3.38Å; D185-T188 PolarHBondContact OD2-OG1 3.44Å; T188-N190 PolarHBondContact O-N 2.66Å; T188-V191 PolarHBondContact O-N 2.76Å; T188-L192 HydrophobicContact CG2-CD1 3.96Å; T188-L192 WeakPolarHBondContact O-CB 3.28Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 3.15Å; T188-Y220 HydrophobicContact CG2-CE1 4.31Å |
| 189 | R | 93.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.9 | -64.8 | -167.3 | -61.2 | -94.2 | -5 | 112.6 | P184 D185 I186 A187 K193 T219 Y220 A234 | P184-R189 HydrophobicContact CB-CG 3.79Å; P184-R189 HydrophobicContact CG-CG 4.33Å; P184-R189 PolarHBondContact O-NH1 3.14Å; D185-R189 PolarHBondContact O-N 3.49Å; I186-R189 PolarHBondContact O-N 2.87Å; A187-R189 PolarHBondContact O-N 3.24Å; R189-K193 WeakPolarHBondContact O-CB 3.37Å; R189-K193 PolarHBondContact O-N 3.35Å; R189-T219 WeakPolarHBondContact CD-O 3.4Å; R189-Y220 HydrophobicContact CG-CD1 4.01Å; R189-Y220 HydrophobicContact CG-CE1 4.24Å; R189-A234 HydrophobicContact CB-CB 4.43Å; R189-A234 VanDerWaalsContact CD-O 3.27Å; R189-A234 WeakPolarHBondContact CD-O 3.44Å; R189-A234 PolarHBondContact NE-O 3.08Å |
| 190 | N | 91.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.3 | -76.8 | -24.5 | 0 | 0 | 0 | 111.9 | L140 I186 A187 T188 K193 M194 A234 | L140-N190 HydrophobicContact CD1-CB 3.96Å; L140-N190 HydrophobicContact CD2-CB 3.45Å; L140-N190 VanDerWaalsContact CD2-CB 3.45Å; L140-N190 HydrophobicContact CG-CB 4.35Å; I186-N190 WeakPolarHBondContact CG2-ND2 3.27Å; I186-N190 WeakPolarHBondContact O-CB 3.4Å; I186-N190 VanDerWaalsContact O-CG 3.3Å; I186-N190 PolarHBondContact O-N 3.49Å; I186-N190 PolarHBondContact O-ND2 3.44Å; A187-N190 PolarHBondContact O-N 2.77Å; T188-N190 PolarHBondContact O-N 2.66Å; N190-K193 PolarHBondContact O-N 3.11Å; N190-M194 VanDerWaalsContact O-CB 3.32Å; N190-M194 WeakPolarHBondContact O-CB 3.49Å; N190-M194 PolarHBondContact O-N 3.49Å; N190-A234 VanDerWaalsContact OD1-CA 3.23Å; N190-A234 WeakPolarHBondContact OD1-CA 3.22Å; N190-A234 WeakPolarHBondContact OD1-CB 3.45Å |
| 191 | V | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | I112 I135 L139 L140 A187 T188 K193 M194 L195 | I112-V191 HydrophobicContact CD1-CG1 4.03Å; I135-V191 HydrophobicContact CG2-CB 3.81Å; I135-V191 HydrophobicContact CG2-CG1 4.23Å; I135-V191 HydrophobicContact CG2-CG2 3.66Å; L139-V191 HydrophobicContact CB-CG2 3.97Å; L140-V191 HydrophobicContact CD2-CB 4.23Å; L140-V191 HydrophobicContact CD2-CG2 3.48Å; L140-V191 VanDerWaalsContact CD2-CG2 3.48Å; L140-V191 HydrophobicContact CG-CG2 3.99Å; A187-V191 WeakPolarHBondContact O-CG2 3.36Å; A187-V191 PolarHBondContact O-N 3.49Å; T188-V191 PolarHBondContact O-N 2.76Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.05Å; V191-M194 HydrophobicContact CG1-CE 4.24Å; V191-M194 PolarHBondContact O-N 2.7Å; V191-L195 HydrophobicContact CG1-CD1 4.01Å; V191-L195 HydrophobicContact CG1-CG 4.38Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.11Å; V191-L195 PolarHBondContact O-N 2.83Å |
| 192 | L | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.7 | -70.5 | 170 | 0 | 0 | 0 | 112.3 | I151 V153 A178 T188 L195 S196 I203 Y220 V236 | I151-L192 HydrophobicContact CG2-CD2 3.9Å; V153-L192 HydrophobicContact CG2-CD1 3.86Å; V153-L192 HydrophobicContact CG2-CD2 4.06Å; A178-L192 HydrophobicContact CB-CD2 4.33Å; T188-L192 HydrophobicContact CG2-CD1 3.96Å; T188-L192 WeakPolarHBondContact O-CB 3.28Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 3.15Å; L192-L195 PolarHBondContact O-N 2.81Å; L192-S196 PolarHBondContact O-N 2.76Å; L192-I203 HydrophobicContact CB-CD1 4.3Å; L192-I203 WeakPolarHBondContact O-CD1 3.27Å; L192-Y220 HydrophobicContact CD1-CD1 4.1Å; L192-Y220 HydrophobicContact CD1-CE1 3.5Å; L192-V236 HydrophobicContact CB-CG2 3.77Å |
| 193 | K | 93.6 | Very high | 90.7 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 173.3 | 179.5 | -172.8 | 175.6 | -179 | 0 | 111.1 | R189 N190 V191 L195 S196 E197 G233 F235 V236 | R189-K193 WeakPolarHBondContact O-CB 3.37Å; R189-K193 PolarHBondContact O-N 3.35Å; N190-K193 PolarHBondContact O-N 3.11Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.05Å; K193-L195 VanDerWaalsContact C-N 3.27Å; K193-L195 PolarHBondContact O-N 3.25Å; K193-S196 WeakPolarHBondContact O-CB 3.29Å; K193-S196 PolarHBondContact O-N 2.8Å; K193-E197 VanDerWaalsContact CE-CD 3.47Å; K193-E197 WeakPolarHBondContact CE-OE1 3.5Å; K193-E197 HydrophobicContact CG-CG 4.35Å; K193-E197 IonicContact NZ-OE1 2.82Å; K193-E197 WeakPolarHBondContact O-CG 3.19Å; K193-E197 PolarHBondContact O-N 3.4Å; K193-G233 VanDerWaalsContact CD-O 3.24Å; K193-G233 WeakPolarHBondContact CD-O 3.39Å; K193-G233 PolarHBondContact NZ-O 2.91Å; K193-F235 WeakPolarHBondContact CD-O 3.17Å; K193-F235 WeakPolarHBondContact CG-O 3.28Å; K193-V236 HydrophobicContact CB-CG2 4.24Å |
| 194 | M | 91.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 177.3 | 176.6 | -146.2 | 55.2 | 0 | 0 | 111.2 | I144 N190 V191 E197 K198 | I144-M194 HydrophobicContact CD1-CE 3.3Å; I144-M194 HydrophobicContact CD1-SD 4.02Å; N190-M194 VanDerWaalsContact O-CB 3.32Å; N190-M194 WeakPolarHBondContact O-CB 3.49Å; N190-M194 PolarHBondContact O-N 3.49Å; V191-M194 HydrophobicContact CG1-CE 4.24Å; V191-M194 PolarHBondContact O-N 2.7Å; M194-E197 PolarHBondContact O-N 2.88Å; M194-K198 HydrophobicContact CG-CD 3.77Å; M194-K198 HydrophobicContact CG-CG 4.18Å; M194-K198 VanDerWaalsContact O-CB 3.31Å; M194-K198 WeakPolarHBondContact O-CB 3.42Å; M194-K198 WeakPolarHBondContact O-CG 3.07Å; M194-K198 PolarHBondContact O-N 2.82Å; M194-K198 HydrophobicContact SD-CD 4.13Å; M194-K198 PolarHBondContact SD-NZ 2.9Å; M194-K198 VanDerWaalsContact SD-NZ 3.41Å |
| 195 | L | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 176.7 | -72.3 | 172.6 | 0 | 0 | 0 | 111.9 | I112 I116 I144 I151 V191 L192 K193 R199 F201 | I112-L195 HydrophobicContact CD1-CD1 4.26Å; I116-L195 HydrophobicContact CD1-CD1 4.4Å; I116-L195 HydrophobicContact CD1-CD2 3.4Å; I116-L195 VanDerWaalsContact CD1-CD2 3.4Å; I144-L195 HydrophobicContact CD1-CD2 3.52Å; I144-L195 HydrophobicContact CG2-CD2 4.41Å; I151-L195 HydrophobicContact CD1-CB 3.76Å; I151-L195 HydrophobicContact CD1-CD1 3.81Å; I151-L195 HydrophobicContact CD1-CG 4.36Å; V191-L195 HydrophobicContact CG1-CD1 4.01Å; V191-L195 HydrophobicContact CG1-CG 4.38Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.11Å; V191-L195 PolarHBondContact O-N 2.83Å; L192-L195 PolarHBondContact O-N 2.81Å; K193-L195 VanDerWaalsContact C-N 3.27Å; K193-L195 PolarHBondContact O-N 3.25Å; L195-R199 PolarHBondContact O-N 2.89Å; L195-F201 HydrophobicContact CB-CD2 4.17Å; L195-F201 HydrophobicContact CD2-CE2 4.27Å; L195-F201 WeakPolarHBondContact O-CD2 3.24Å |
| 196 | S | 91.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 172.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L192 K193 K200 T238 | L192-S196 PolarHBondContact O-N 2.76Å; K193-S196 WeakPolarHBondContact O-CB 3.29Å; K193-S196 PolarHBondContact O-N 2.8Å; S196-K200 WeakPolarHBondContact O-CA 3.23Å; S196-K200 PolarHBondContact O-N 2.88Å; S196-T238 PolarHBondContact OG-OG1 3.08Å |
| 197 | E | 89.8 | Confident | 91.9 | Very high | 127 Ų | 127 | 33.6 Ų | 33.6 | 59% | 0.593 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -71.8 | -40.5 | -176.3 | -71.2 | 175.6 | 161.5 | 0 | 0 | 113.4 | K193 M194 | K193-E197 VanDerWaalsContact CE-CD 3.47Å; K193-E197 WeakPolarHBondContact CE-OE1 3.5Å; K193-E197 HydrophobicContact CG-CG 4.35Å; K193-E197 IonicContact NZ-OE1 2.82Å; K193-E197 WeakPolarHBondContact O-CG 3.19Å; K193-E197 PolarHBondContact O-N 3.4Å; M194-E197 PolarHBondContact O-N 2.88Å |
| 198 | K | 85.1 | Confident | 92.2 | Very high | 105 Ų | 105 | 33.8 Ų | 33.8 | 46% | 0.457 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -75.3 | -36.5 | -176.1 | -75.9 | -175.6 | 176.3 | 172 | 0 | 113.3 | S142 I144 M194 | S142-K198 PolarHBondContact O-NZ 3.36Å; S142-K198 VanDerWaalsContact O-NZ 3.13Å; I144-K198 HydrophobicContact CD1-CD 4.24Å; M194-K198 HydrophobicContact CG-CD 3.77Å; M194-K198 HydrophobicContact CG-CG 4.18Å; M194-K198 VanDerWaalsContact O-CB 3.31Å; M194-K198 WeakPolarHBondContact O-CB 3.42Å; M194-K198 WeakPolarHBondContact O-CG 3.07Å; M194-K198 PolarHBondContact O-N 2.82Å; M194-K198 HydrophobicContact SD-CD 4.13Å; M194-K198 PolarHBondContact SD-NZ 2.9Å; M194-K198 VanDerWaalsContact SD-NZ 3.41Å |
| 199 | R | 78.1 | Confident | 92.4 | Very high | 124 Ų | 124 | 33.8 Ų | 33.8 | 47% | 0.468 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -126.2 | -2.2 | -169.8 | -69.6 | -69.6 | -168.8 | 152 | 0.9 | 113.9 | I144 L195 F201 | I144-R199 PolarHBondContact O-NH2 3.38Å; L195-R199 PolarHBondContact O-N 2.89Å; R199-F201 HydrophobicContact CB-CD1 4.17Å; R199-F201 HydrophobicContact CB-CD2 3.72Å; R199-F201 HydrophobicContact CB-CE1 3.76Å; R199-F201 HydrophobicContact CB-CE2 3.3Å; R199-F201 HydrophobicContact CB-CG 4.13Å; R199-F201 HydrophobicContact CB-CZ 3.3Å; R199-F201 HydrophobicContact CG-CE1 4.44Å; R199-F201 HydrophobicContact CG-CE2 3.71Å; R199-F201 HydrophobicContact CG-CZ 3.62Å; R199-F201 PolarHBondContact O-N 2.79Å |
| 200 | K | 83.4 | Confident | 92.5 | Very high | 183 Ų | 183 | 34.4 Ų | 34.4 | 80% | 0.796 | 16% | 0.157 | S | C | * | . | trans | 55.3 | 33.3 | -177.9 | -58.2 | -176.7 | 179.3 | 179.1 | 0 | 113.2 | S196 P202 | S196-K200 WeakPolarHBondContact O-CA 3.23Å; S196-K200 PolarHBondContact O-N 2.88Å; K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.15Å | ||
| 201 | F | 86.7 | Confident | 92.8 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | trans | -61.1 | 125.7 | 173.7 | -61.2 | -51.2 | 0 | 0 | 0 | 109.5 | S146 A148 I151 L195 R199 I203 | S146-F201 VanDerWaalsContact OG-CZ 3.27Å; S146-F201 WeakPolarHBondContact OG-CZ 3.42Å; A148-F201 HydrophobicContact CB-CE1 4.16Å; A148-F201 VanDerWaalsContact O-CE1 3.25Å; A148-F201 WeakPolarHBondContact O-CE1 3.31Å; I151-F201 HydrophobicContact CD1-CB 3.93Å; I151-F201 HydrophobicContact CD1-CD2 3.87Å; I151-F201 HydrophobicContact CD1-CG 4.24Å; I151-F201 HydrophobicContact CG1-CB 4.06Å; I151-F201 HydrophobicContact CG1-CD2 4.41Å; I151-F201 HydrophobicContact CG1-CG 4.41Å; L195-F201 HydrophobicContact CB-CD2 4.17Å; L195-F201 HydrophobicContact CD2-CE2 4.27Å; L195-F201 WeakPolarHBondContact O-CD2 3.24Å; R199-F201 HydrophobicContact CB-CD1 4.17Å; R199-F201 HydrophobicContact CB-CD2 3.72Å; R199-F201 HydrophobicContact CB-CE1 3.76Å; R199-F201 HydrophobicContact CB-CE2 3.3Å; R199-F201 HydrophobicContact CB-CG 4.13Å; R199-F201 HydrophobicContact CB-CZ 3.3Å; R199-F201 HydrophobicContact CG-CE1 4.44Å; R199-F201 HydrophobicContact CG-CE2 3.71Å; R199-F201 HydrophobicContact CG-CZ 3.62Å; R199-F201 PolarHBondContact O-N 2.79Å; F201-I203 WeakPolarHBondContact O-CG1 3.25Å; F201-I203 PolarHBondContact O-N 3.42Å | ||
| 202 | P | 93.7 | Very high | 93 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | trans | -53.5 | 132.1 | 160.3 | -21.6 | 32.3 | 0 | 0 | 0 | 109.4 | D149 F150 I151 K200 Y204 | D149-P202 VanDerWaalsContact O-CD 3.24Å; D149-P202 WeakPolarHBondContact O-CD 3.24Å; F150-P202 WeakPolarHBondContact CA-O 3.47Å; F150-P202 HydrophobicContact CB-CB 4.44Å; I151-P202 PolarHBondContact N-O 3Å; K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.15Å; P202-Y204 HydrophobicContact CB-CE1 4.38Å; P202-Y204 HydrophobicContact CB-CE2 3.8Å; P202-Y204 WeakPolarHBondContact CB-OH 3.48Å | ||
| 203 | I | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.3 | 178.2 | -53.8 | -170 | 0 | 0 | 0 | 107.7 | I151 V153 L192 F201 V236 I239 E240 | I151-I203 HydrophobicContact CB-CG1 4.25Å; I151-I203 HydrophobicContact CB-CG2 4.4Å; I151-I203 HydrophobicContact CD1-CD1 4.17Å; I151-I203 HydrophobicContact CD1-CG1 4.23Å; I151-I203 CarbonylContact O-C 3.59Å; I151-I203 WeakPolarHBondContact O-CA 3.36Å; V153-I203 HydrophobicContact CG2-CG2 3.74Å; L192-I203 HydrophobicContact CB-CD1 4.3Å; L192-I203 WeakPolarHBondContact O-CD1 3.27Å; F201-I203 WeakPolarHBondContact O-CG1 3.25Å; F201-I203 PolarHBondContact O-N 3.42Å; I203-V236 HydrophobicContact CD1-CG1 3.66Å; I203-I239 HydrophobicContact CB-CB 4.44Å; I203-I239 HydrophobicContact CB-CG1 4.38Å; I203-I239 HydrophobicContact CG2-CB 4.28Å; I203-I239 HydrophobicContact CG2-CD1 4.02Å; I203-I239 HydrophobicContact CG2-CG1 3.85Å; I203-I239 CarbonylContact O-C 3.39Å; I203-I239 VanDerWaalsContact O-CA 3.27Å; I203-I239 WeakPolarHBondContact O-CA 3.46Å; I203-E240 PolarHBondContact O-N 3.14Å |
| 204 | Y | 97.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.3 | 178.3 | -57.8 | -60.3 | 0 | 0 | 0 | 109.7 | F150 I151 L152 V153 P202 E240 I242 V321 I324 | F150-Y204 HydrophobicContact CB-CD2 3.84Å; F150-Y204 HydrophobicContact CB-CE2 3.59Å; F150-Y204 AromaticContact CD2-CD2 3.9Å; F150-Y204 HydrophobicContact CD2-CD2 3.9Å; F150-Y204 HydrophobicContact CD2-CE2 4.37Å; F150-Y204 HydrophobicContact CG-CD2 4.11Å; F150-Y204 HydrophobicContact CG-CE2 4.11Å; I151-Y204 PolarHBondContact O-N 3.48Å; L152-Y204 CarbonylContact C-O 3.59Å; L152-Y204 WeakPolarHBondContact CA-O 3.39Å; V153-Y204 PolarHBondContact N-O 3.14Å; P202-Y204 HydrophobicContact CB-CE1 4.38Å; P202-Y204 HydrophobicContact CB-CE2 3.8Å; P202-Y204 WeakPolarHBondContact CB-OH 3.48Å; Y204-E240 CarbonylContact C-O 3.52Å; Y204-E240 WeakPolarHBondContact CA-O 3.39Å; Y204-E240 HydrophobicContact CD1-CB 4.12Å; Y204-E240 HydrophobicContact CE1-CB 4.47Å; Y204-I242 HydrophobicContact CD1-CG2 3.49Å; Y204-I242 VanDerWaalsContact CD1-CG2 3.49Å; Y204-I242 HydrophobicContact CE1-CG2 4.35Å; Y204-I242 HydrophobicContact CG-CD1 4.42Å; Y204-I242 HydrophobicContact CG-CG2 4Å; Y204-V321 HydrophobicContact CD2-CG1 4.19Å; Y204-V321 HydrophobicContact CD2-CG2 3.85Å; Y204-V321 HydrophobicContact CE2-CB 4.38Å; Y204-V321 HydrophobicContact CE2-CG1 3.81Å; Y204-V321 HydrophobicContact CE2-CG2 4.21Å; Y204-V321 HydrophobicContact CG-CG2 4.38Å; Y204-I324 HydrophobicContact CD1-CD1 4.1Å; Y204-I324 HydrophobicContact CE1-CB 4.27Å; Y204-I324 HydrophobicContact CE1-CD1 3.52Å; Y204-I324 HydrophobicContact CE1-CG1 4.49Å; Y204-I324 HydrophobicContact CE1-CG2 3.95Å; Y204-I324 VanDerWaalsContact OH-CG2 3.24Å; Y204-I324 WeakPolarHBondContact OH-CG2 3.42Å |
| 205 | G | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V153 F207 E240 I242 | V153-G205 CarbonylContact O-C 3.55Å; V153-G205 WeakPolarHBondContact O-CA 3.25Å; G205-F207 VanDerWaalsContact CA-CE2 3.41Å; G205-E240 PolarHBondContact N-O 3.19Å; G205-I242 WeakPolarHBondContact O-CG1 3.23Å; G205-I242 PolarHBondContact O-N 3Å |
| 206 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110.6 | 174.8 | -170.1 | 75.1 | 0 | 0 | 0 | 109.7 | L152 V153 V154 E155 G243 L301 M312 L316 I317 | L152-L206 HydrophobicContact CD1-CB 4.09Å; V153-L206 PolarHBondContact O-N 3.44Å; V154-L206 WeakPolarHBondContact CA-O 3.46Å; V154-L206 HydrophobicContact CG1-CB 4.24Å; V154-L206 HydrophobicContact CG1-CD2 4.24Å; E155-L206 PolarHBondContact N-O 3.48Å; L206-G243 CarbonylContact C-O 3.56Å; L206-G243 VanDerWaalsContact CA-O 3.23Å; L206-G243 WeakPolarHBondContact CA-O 3.36Å; L206-G243 VanDerWaalsContact CD1-C 3.44Å; L206-G243 WeakPolarHBondContact CD1-O 3.13Å; L206-L301 HydrophobicContact CD1-CD2 3.94Å; L206-L301 HydrophobicContact CD2-CD1 4.49Å; L206-L301 HydrophobicContact CD2-CD2 3.88Å; L206-L301 HydrophobicContact CG-CD1 4.2Å; L206-L301 HydrophobicContact CG-CD2 3.57Å; L206-M312 HydrophobicContact CD2-CG 4.28Å; L206-M312 HydrophobicContact CD2-SD 3.78Å; L206-L316 HydrophobicContact CD1-CD2 3.66Å; L206-L316 HydrophobicContact CD1-CG 4.22Å; L206-L316 HydrophobicContact CD2-CD2 4.43Å; L206-I317 HydrophobicContact CD2-CD1 4.12Å; L206-I317 HydrophobicContact CD2-CG1 4.22Å |
| 207 | F | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -128.4 | 162.7 | -173.3 | -51.2 | -77.6 | 0 | 0 | 0 | 111.2 | E155 G205 I216 Y217 Y220 I239 W241 G243 L244 | E155-F207 HydrophobicContact CB-CD1 3.93Å; E155-F207 HydrophobicContact CG-CD1 4.39Å; G205-F207 VanDerWaalsContact CA-CE2 3.41Å; F207-I216 HydrophobicContact CD1-CB 4.32Å; F207-I216 HydrophobicContact CD1-CG2 3.6Å; F207-I216 HydrophobicContact CE1-CG2 3.56Å; F207-Y217 HydrophobicContact CD2-CD2 4.46Å; F207-Y217 HydrophobicContact CD2-CG 4.39Å; F207-Y217 AromaticContact CE2-CD2 3.81Å; F207-Y217 HydrophobicContact CE2-CD2 3.81Å; F207-Y217 HydrophobicContact CE2-CG 4.1Å; F207-Y220 AromaticContact CE1-CD2 3.8Å; F207-Y220 HydrophobicContact CE1-CD2 3.8Å; F207-Y220 AromaticContact CE1-CE2 3.77Å; F207-Y220 HydrophobicContact CE1-CE2 3.77Å; F207-Y220 AromaticContact CZ-CD2 3.73Å; F207-Y220 HydrophobicContact CZ-CD2 3.73Å; F207-Y220 HydrophobicContact CZ-CE2 4.08Å; F207-I239 HydrophobicContact CZ-CD1 4.25Å; F207-W241 AromaticContact CD2-CD1 3.76Å; F207-G243 PolarHBondContact N-O 2.77Å; F207-G243 CarbonylContact O-C 3.47Å; F207-L244 PolarHBondContact O-N 2.87Å | ||
| 208 | D | 97 | Very high | 94.3 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -62.1 | 146.5 | 174.9 | -75 | -7.2 | 0 | 0 | 0 | 110.8 | E155 K156 D210 L301 | E155-D208 PolarHBondContact OE2-N 2.83Å; K156-D208 WeakPolarHBondContact CE-OD2 3.39Å; K156-D208 IonicContact NZ-OD1 3.62Å; K156-D208 IonicContact NZ-OD2 2.68Å; K156-D208 PolarHBondContact NZ-OD2 2.72Å; D208-D210 PolarHBondContact O-N 3.33Å; D208-L301 WeakPolarHBondContact OD1-CB 3.46Å; D208-L301 VanDerWaalsContact OD1-CG 3.23Å; D208-L301 WeakPolarHBondContact OD1-CG 3.36Å; D208-L301 PolarHBondContact OD1-N 2.99Å | ||
| 209 | A | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 58.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L244 P246 M292 K298 M299 | A209-L244 HydrophobicContact CB-CB 4.24Å; A209-L244 HydrophobicContact CB-CD2 3.92Å; A209-L244 HydrophobicContact CB-CG 3.87Å; A209-L244 WeakPolarHBondContact CB-O 3.48Å; A209-P246 HydrophobicContact CB-CG 4.27Å; A209-M292 WeakPolarHBondContact O-CE 3.35Å; A209-K298 WeakPolarHBondContact O-CA 3.14Å; A209-K298 WeakPolarHBondContact O-CB 3.27Å; A209-M299 CarbonylContact C-O 3.55Å; A209-M299 WeakPolarHBondContact CA-O 3.34Å; A209-M299 HydrophobicContact CB-CB 4.21Å; A209-M299 HydrophobicContact CB-CE 4.12Å; A209-M299 PolarHBondContact N-O 2.83Å; A209-M299 PolarHBondContact O-N 2.97Å; A209-M299 VanDerWaalsContact O-N 3.12Å |
| 210 | D | 97.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 19.2 Ų | 19.2 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -140.2 | 171.3 | 177.8 | 88.7 | -0.8 | 0 | 0 | 0 | 112.2 | D208 H212 G213 I214 K298 | D208-D210 PolarHBondContact O-N 3.33Å; D210-H212 PolarHBondContact O-N 3.03Å; D210-H212 VanDerWaalsContact OD1-CA 3.27Å; D210-H212 WeakPolarHBondContact OD1-CA 3.45Å; D210-H212 WeakPolarHBondContact OD1-CB 3.3Å; D210-H212 PolarHBondContact OD1-N 3.48Å; D210-G213 PolarHBondContact O-N 2.89Å; D210-G213 PolarHBondContact OD1-N 3.25Å; D210-I214 WeakPolarHBondContact O-CG1 3.22Å; D210-I214 PolarHBondContact O-N 3.43Å; D210-I214 VanDerWaalsContact O-N 3.14Å; D210-K298 HydrophobicContact CB-CB 3.69Å; D210-K298 HydrophobicContact CB-CD 3.65Å; D210-K298 HydrophobicContact CB-CG 4.19Å |
| 211 | P | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.9 | -19.4 | -179.6 | -26.5 | 39 | 0 | 0 | 0 | 114.7 | E215 D266 K269 I270 M273 M292 | P211-E215 PolarHBondContact O-N 3.03Å; P211-D266 HydrophobicContact CG-CB 3.98Å; P211-K269 HydrophobicContact CB-CB 4.23Å; P211-K269 HydrophobicContact CB-CD 4.04Å; P211-K269 HydrophobicContact CB-CG 4.23Å; P211-K269 WeakPolarHBondContact O-CE 3.34Å; P211-I270 HydrophobicContact CB-CG1 3.98Å; P211-I270 HydrophobicContact CG-CD1 3.75Å; P211-I270 HydrophobicContact CG-CG1 3.52Å; P211-M273 HydrophobicContact CB-CE 3.67Å; P211-M273 WeakPolarHBondContact O-CE 3.27Å; P211-M292 HydrophobicContact CG-SD 3.75Å |
| 212 | H | 96.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 14.6 Ų | 14.6 | 34% | 0.338 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -81.3 | -46.9 | 176.7 | -77.4 | -96.8 | 0 | 0 | 0 | 111.4 | Y183 D210 I214 E215 I216 K269 | Y183-H212 PolarHBondContact OH-ND1 2.95Å; D210-H212 PolarHBondContact O-N 3.03Å; D210-H212 VanDerWaalsContact OD1-CA 3.27Å; D210-H212 WeakPolarHBondContact OD1-CA 3.45Å; D210-H212 WeakPolarHBondContact OD1-CB 3.3Å; D210-H212 PolarHBondContact OD1-N 3.48Å; H212-I214 VanDerWaalsContact C-N 3.3Å; H212-I214 PolarHBondContact O-N 2.95Å; H212-E215 CarbonylContact O-C 3.59Å; H212-E215 PolarHBondContact O-N 2.75Å; H212-E215 VanDerWaalsContact O-N 3.07Å; H212-I216 VanDerWaalsContact O-CG1 3.31Å; H212-I216 WeakPolarHBondContact O-CG1 3.44Å; H212-I216 PolarHBondContact O-N 2.95Å; H212-K269 PolarHBondContact CE1-NZ 3.03Å; H212-K269 VanDerWaalsContact CG-NZ 3.26Å; H212-K269 PolarHBondContact ND1-NZ 3.01Å |
| 213 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E155 D210 E215 I216 Y217 | E155-G213 WeakPolarHBondContact OE2-CA 3.42Å; D210-G213 PolarHBondContact O-N 2.89Å; D210-G213 PolarHBondContact OD1-N 3.25Å; G213-E215 PolarHBondContact O-N 3.46Å; G213-I216 WeakPolarHBondContact O-CB 3.49Å; G213-I216 PolarHBondContact O-N 3.42Å; G213-Y217 PolarHBondContact O-N 3.06Å |
| 214 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 173.9 | -65.1 | 170.7 | 0 | 0 | 0 | 111.6 | D210 H212 I216 Y217 L218 W241 M273 V285 L289 M292 | D210-I214 WeakPolarHBondContact O-CG1 3.22Å; D210-I214 PolarHBondContact O-N 3.43Å; D210-I214 VanDerWaalsContact O-N 3.14Å; H212-I214 VanDerWaalsContact C-N 3.3Å; H212-I214 PolarHBondContact O-N 2.95Å; I214-I216 VanDerWaalsContact C-N 3.31Å; I214-I216 PolarHBondContact O-N 2.97Å; I214-Y217 PolarHBondContact O-N 2.92Å; I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 WeakPolarHBondContact O-CG 3.4Å; I214-L218 PolarHBondContact O-N 3.1Å; I214-W241 HydrophobicContact CD1-CH2 3.96Å; I214-W241 HydrophobicContact CG1-CH2 3.76Å; I214-W241 HydrophobicContact CG1-CZ2 4.03Å; I214-W241 HydrophobicContact CG1-CZ3 4.41Å; I214-M273 HydrophobicContact CG2-SD 4.47Å; I214-V285 HydrophobicContact CG2-CG1 3.54Å; I214-L289 HydrophobicContact CD1-CD2 3.47Å; I214-L289 VanDerWaalsContact CD1-CD2 3.47Å; I214-L289 HydrophobicContact CD1-CG 4.07Å; I214-L289 HydrophobicContact CG2-CD2 4.26Å; I214-M292 HydrophobicContact CD1-CE 3.91Å |
| 215 | E | 96.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 18.4 Ų | 18.4 | 22% | 0.215 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 175.5 | -171.7 | -179.3 | -143 | 0 | 0 | 112 | Y183 P211 H212 G213 L218 T219 K269 M273 | Y183-E215 HydrophobicContact CE1-CG 4.29Å; Y183-E215 PolarHBondContact OH-OE2 2.78Å; P211-E215 PolarHBondContact O-N 3.03Å; H212-E215 CarbonylContact O-C 3.59Å; H212-E215 PolarHBondContact O-N 2.75Å; H212-E215 VanDerWaalsContact O-N 3.07Å; G213-E215 PolarHBondContact O-N 3.46Å; E215-L218 PolarHBondContact O-N 2.83Å; E215-T219 WeakPolarHBondContact O-CB 3.38Å; E215-T219 PolarHBondContact O-N 3.02Å; E215-T219 PolarHBondContact O-OG1 3.02Å; E215-K269 VanDerWaalsContact CD-CE 3.48Å; E215-K269 WeakPolarHBondContact OE2-CE 3.38Å; E215-K269 IonicContact OE2-NZ 2.78Å; E215-K269 PolarHBondContact OE2-NZ 3.06Å; E215-M273 HydrophobicContact CB-SD 3.92Å |
| 216 | I | 96.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 176.1 | -73.6 | 169.3 | 0 | 0 | 0 | 109.9 | E155 Y183 F207 H212 G213 I214 L218 T219 Y220 | E155-I216 HydrophobicContact CG-CD1 3.81Å; E155-I216 VanDerWaalsContact OE1-CD1 3.29Å; E155-I216 WeakPolarHBondContact OE1-CD1 3.39Å; Y183-I216 HydrophobicContact CD1-CG1 3.76Å; Y183-I216 HydrophobicContact CD2-CD1 3.97Å; Y183-I216 HydrophobicContact CD2-CG1 3.98Å; Y183-I216 HydrophobicContact CE1-CG1 3.8Å; Y183-I216 HydrophobicContact CE2-CD1 4.04Å; Y183-I216 HydrophobicContact CE2-CG1 4Å; Y183-I216 HydrophobicContact CG-CD1 4.28Å; Y183-I216 HydrophobicContact CG-CG1 3.87Å; F207-I216 HydrophobicContact CD1-CB 4.32Å; F207-I216 HydrophobicContact CD1-CG2 3.6Å; F207-I216 HydrophobicContact CE1-CG2 3.56Å; H212-I216 VanDerWaalsContact O-CG1 3.31Å; H212-I216 WeakPolarHBondContact O-CG1 3.44Å; H212-I216 PolarHBondContact O-N 2.95Å; G213-I216 WeakPolarHBondContact O-CB 3.49Å; G213-I216 PolarHBondContact O-N 3.42Å; I214-I216 VanDerWaalsContact C-N 3.31Å; I214-I216 PolarHBondContact O-N 2.97Å; I216-L218 PolarHBondContact O-N 3.47Å; I216-T219 WeakPolarHBondContact O-CB 3.33Å; I216-T219 PolarHBondContact O-N 3.38Å; I216-T219 VanDerWaalsContact O-N 3.1Å; I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 HydrophobicContact CG2-CE2 3.92Å; I216-Y220 WeakPolarHBondContact O-CD2 3.35Å; I216-Y220 PolarHBondContact O-N 3.48Å |
| 217 | Y | 97.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.9 | -52.3 | 172.1 | 165.4 | -116.4 | 0 | 0 | 0 | 111.8 | F207 G213 I214 T219 Y220 K221 I239 W241 E282 V285 | F207-Y217 HydrophobicContact CD2-CD2 4.46Å; F207-Y217 HydrophobicContact CD2-CG 4.39Å; F207-Y217 AromaticContact CE2-CD2 3.81Å; F207-Y217 HydrophobicContact CE2-CD2 3.81Å; F207-Y217 HydrophobicContact CE2-CG 4.1Å; G213-Y217 PolarHBondContact O-N 3.06Å; I214-Y217 PolarHBondContact O-N 2.92Å; Y217-T219 PolarHBondContact O-N 3.42Å; Y217-Y220 WeakPolarHBondContact O-CB 3.39Å; Y217-Y220 PolarHBondContact O-N 2.95Å; Y217-K221 HydrophobicContact CE2-CD 4.08Å; Y217-K221 PolarHBondContact O-N 2.71Å; Y217-K221 VanDerWaalsContact OH-CD 3.28Å; Y217-K221 WeakPolarHBondContact OH-CD 3.43Å; Y217-K221 PolarHBondContact OH-NZ 2.84Å; Y217-I239 HydrophobicContact CD2-CG2 4.35Å; Y217-I239 HydrophobicContact CE2-CG2 4.01Å; Y217-W241 HydrophobicContact CD1-CB 4.09Å; Y217-W241 HydrophobicContact CD1-CG 4.41Å; Y217-W241 HydrophobicContact CD2-CB 3.78Å; Y217-W241 HydrophobicContact CD2-CG 4.45Å; Y217-W241 HydrophobicContact CE1-CB 3.92Å; Y217-W241 HydrophobicContact CE2-CB 3.59Å; Y217-W241 HydrophobicContact CG-CB 4.01Å; Y217-W241 HydrophobicContact CG-CG 4.31Å; Y217-E282 WeakPolarHBondContact CE1-OE2 3.4Å; Y217-E282 PolarHBondContact OH-OE2 3.22Å; Y217-V285 HydrophobicContact CD1-CG2 3.98Å; Y217-V285 HydrophobicContact CE1-CG2 3.6Å |
| 218 | L | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -30.4 | 178.9 | -68.4 | 176.2 | 0 | 0 | 0 | 112.3 | I214 E215 I216 Y222 L280 E282 V285 | I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 WeakPolarHBondContact O-CG 3.4Å; I214-L218 PolarHBondContact O-N 3.1Å; E215-L218 PolarHBondContact O-N 2.83Å; I216-L218 PolarHBondContact O-N 3.47Å; L218-Y222 HydrophobicContact CD2-CD2 3.99Å; L218-Y222 HydrophobicContact CD2-CE2 3.93Å; L218-Y222 WeakPolarHBondContact O-CB 2.98Å; L218-Y222 PolarHBondContact O-N 3.07Å; L218-L280 HydrophobicContact CD2-CD1 4.38Å; L218-E282 HydrophobicContact CD2-CG 4.21Å; L218-V285 HydrophobicContact CD1-CG1 4.47Å; L218-V285 HydrophobicContact CD2-CG2 4.42Å |
| 219 | T | 95.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -37 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | P184 R189 E215 I216 Y217 G223 P224 | P184-T219 HydrophobicContact CG-CG2 3.86Å; R189-T219 WeakPolarHBondContact CD-O 3.4Å; E215-T219 WeakPolarHBondContact O-CB 3.38Å; E215-T219 PolarHBondContact O-N 3.02Å; E215-T219 PolarHBondContact O-OG1 3.02Å; I216-T219 WeakPolarHBondContact O-CB 3.33Å; I216-T219 PolarHBondContact O-N 3.38Å; I216-T219 VanDerWaalsContact O-N 3.1Å; Y217-T219 PolarHBondContact O-N 3.42Å; T219-G223 WeakPolarHBondContact O-CA 3.38Å; T219-G223 PolarHBondContact O-N 3Å; T219-P224 HydrophobicContact CG2-CB 4.19Å |
| 220 | Y | 96.3 | Very high | 90 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -51.4 | 169.2 | -87 | -72.8 | 0 | 0 | 0 | 110.8 | V153 S180 P184 T188 R189 L192 F207 I216 Y217 F235 V236 I239 | V153-Y220 HydrophobicContact CG1-CE1 4.15Å; V153-Y220 HydrophobicContact CG1-CE2 3.9Å; V153-Y220 WeakPolarHBondContact CG1-OH 3.29Å; S180-Y220 WeakPolarHBondContact CB-OH 3.31Å; S180-Y220 PolarHBondContact OG-OH 2.97Å; P184-Y220 HydrophobicContact CB-CD1 4.08Å; P184-Y220 HydrophobicContact CB-CD2 4.24Å; P184-Y220 HydrophobicContact CB-CE1 3.59Å; P184-Y220 HydrophobicContact CB-CE2 3.78Å; P184-Y220 HydrophobicContact CB-CG 4.39Å; P184-Y220 VanDerWaalsContact CB-CZ 3.46Å; P184-Y220 HydrophobicContact CG-CD1 4.2Å; P184-Y220 HydrophobicContact CG-CD2 3.75Å; P184-Y220 HydrophobicContact CG-CE1 4.12Å; P184-Y220 HydrophobicContact CG-CE2 3.67Å; P184-Y220 HydrophobicContact CG-CG 4.03Å; T188-Y220 HydrophobicContact CG2-CE1 4.31Å; R189-Y220 HydrophobicContact CG-CD1 4.01Å; R189-Y220 HydrophobicContact CG-CE1 4.24Å; L192-Y220 HydrophobicContact CD1-CD1 4.1Å; L192-Y220 HydrophobicContact CD1-CE1 3.5Å; F207-Y220 AromaticContact CE1-CD2 3.8Å; F207-Y220 HydrophobicContact CE1-CD2 3.8Å; F207-Y220 AromaticContact CE1-CE2 3.77Å; F207-Y220 HydrophobicContact CE1-CE2 3.77Å; F207-Y220 AromaticContact CZ-CD2 3.73Å; F207-Y220 HydrophobicContact CZ-CD2 3.73Å; F207-Y220 HydrophobicContact CZ-CE2 4.08Å; I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 HydrophobicContact CG2-CE2 3.92Å; I216-Y220 WeakPolarHBondContact O-CD2 3.35Å; I216-Y220 PolarHBondContact O-N 3.48Å; Y217-Y220 WeakPolarHBondContact O-CB 3.39Å; Y217-Y220 PolarHBondContact O-N 2.95Å; Y220-F235 CarbonylContact O-C 3.56Å; Y220-F235 WeakPolarHBondContact O-CA 3.49Å; Y220-V236 PolarHBondContact O-N 3.4Å; Y220-I239 HydrophobicContact CD1-CD1 4.45Å; Y220-I239 HydrophobicContact CG-CD1 4.1Å |
| 221 | K | 95.9 | Very high | 89.1 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.9 | -42.9 | -171.2 | -165 | 165 | -170.3 | 173.2 | 0 | 114.3 | Y217 F235 V236 P237 I239 E282 | Y217-K221 HydrophobicContact CE2-CD 4.08Å; Y217-K221 PolarHBondContact O-N 2.71Å; Y217-K221 VanDerWaalsContact OH-CD 3.28Å; Y217-K221 WeakPolarHBondContact OH-CD 3.43Å; Y217-K221 PolarHBondContact OH-NZ 2.84Å; K221-F235 WeakPolarHBondContact O-CD2 3.46Å; K221-V236 WeakPolarHBondContact CA-O 3.36Å; K221-P237 VanDerWaalsContact CE-O 3.25Å; K221-P237 WeakPolarHBondContact CE-O 3.27Å; K221-I239 HydrophobicContact CB-CG2 3.65Å; K221-I239 HydrophobicContact CD-CG2 4.33Å; K221-I239 HydrophobicContact CG-CG2 4.01Å; K221-E282 WeakPolarHBondContact CD-OE1 3.48Å; K221-E282 VanDerWaalsContact CE-OE1 3.22Å; K221-E282 WeakPolarHBondContact CE-OE1 3.24Å; K221-E282 IonicContact NZ-OE1 3.34Å; K221-E282 PolarHBondContact NZ-OE1 3.2Å; K221-E282 IonicContact NZ-OE2 3.06Å |
| 222 | Y | 93.7 | Very high | 88.4 | Confident | 68 Ų | 68 | 40.9 Ų | 40.9 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -120.4 | -4.9 | -171.7 | -57.8 | -74.3 | 0 | 0 | 0 | 114.4 | L218 L280 E282 | L218-Y222 HydrophobicContact CD2-CD2 3.99Å; L218-Y222 HydrophobicContact CD2-CE2 3.93Å; L218-Y222 WeakPolarHBondContact O-CB 2.98Å; L218-Y222 PolarHBondContact O-N 3.07Å; Y222-L280 HydrophobicContact CD1-CD2 3.87Å; Y222-L280 HydrophobicContact CD2-CD1 3.73Å; Y222-L280 HydrophobicContact CD2-CD2 4.36Å; Y222-L280 HydrophobicContact CE1-CD2 3.99Å; Y222-L280 HydrophobicContact CE2-CB 4.21Å; Y222-L280 HydrophobicContact CE2-CD1 3.89Å; Y222-L280 HydrophobicContact CE2-CD2 4.46Å; Y222-L280 HydrophobicContact CE2-CG 4.42Å; Y222-L280 HydrophobicContact CG-CD1 4.14Å; Y222-L280 HydrophobicContact CG-CD2 4.05Å; Y222-L280 PolarHBondContact OH-O 3.41Å; Y222-E282 HydrophobicContact CE2-CG 3.81Å; Y222-E282 WeakPolarHBondContact OH-CG 3.33Å; Y222-E282 PolarHBondContact OH-OE1 2.85Å |
| 223 | G | 91.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | 82.7 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T219 R276 | T219-G223 WeakPolarHBondContact O-CA 3.38Å; T219-G223 PolarHBondContact O-N 3Å; G223-R276 PolarHBondContact O-NH2 2.92Å | ||
| 224 | P | 88 | Confident | 87.5 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 16% | 0.156 | 19% | 0.187 | C | C | . | . | trans | -76.5 | 144.3 | -177.2 | 30.7 | -34.9 | 0 | 0 | 0 | 112.1 | T219 K226 E227 | T219-P224 HydrophobicContact CG2-CB 4.19Å; P224-K226 VanDerWaalsContact C-N 3.34Å; P224-K226 PolarHBondContact O-N 2.9Å; P224-E227 HydrophobicContact CB-CB 4.46Å; P224-E227 HydrophobicContact CG-CB 4.02Å | ||
| 225 | T | 81.4 | Confident | 87.3 | Confident | 98 Ų | 98 | 41.2 Ų | 41.2 | 60% | 0.601 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -66.3 | -31.8 | -179.8 | -43.7 | 0 | 0 | 0 | 0 | 113.6 | R276 | T225-R276 VanDerWaalsContact OG1-CZ 3.31Å; T225-R276 PolarHBondContact OG1-NH1 2.91Å |
| 226 | K | 72.9 | Confident | 87.2 | Confident | 179 Ų | 179 | 39 Ų | 39 | 78% | 0.778 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -102.2 | -21.4 | -170.1 | -66.1 | -179.1 | -178.7 | 173.9 | 0 | 114.8 | P224 | P224-K226 VanDerWaalsContact C-N 3.34Å; P224-K226 PolarHBondContact O-N 2.9Å |
| 227 | E | 67.5 | Low | 87.1 | Confident | 114 Ų | 114 | 42.2 Ų | 42.2 | 53% | 0.533 | 21% | 0.21 | S | C | . | . | trans | -121.2 | 35.6 | -167.5 | -66.4 | 179.6 | -177.8 | 0 | 0 | 112.4 | P224 A229 | P224-E227 HydrophobicContact CB-CB 4.46Å; P224-E227 HydrophobicContact CG-CB 4.02Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 2.72Å | ||
| 228 | F | 74.5 | Confident | 86.9 | Confident | 102 Ų | 102 | 45.2 Ų | 45.2 | 45% | 0.447 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.7 | -173.6 | -171 | -97 | 0 | 0 | 0 | 114 | G231 R232 | F228-G231 CarbonylContact O-C 3.5Å; F228-R232 VanDerWaalsContact O-CA 3.3Å; F228-R232 WeakPolarHBondContact O-CA 3.48Å; F228-R232 PolarHBondContact O-N 2.64Å; F228-R232 VanDerWaalsContact O-N 3.1Å |
| 229 | A | 78.5 | Confident | 87 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -45.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K89 C92 E93 E227 | K89-A229 HydrophobicContact CG-CB 4.34Å; C92-A229 HydrophobicContact CB-CB 4.39Å; E93-A229 HydrophobicContact CG-CB 3.5Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 2.72Å |
| 230 | E | 82.4 | Confident | 87 | Confident | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -41.4 | -177 | -65.2 | -173.8 | -137.1 | 0 | 0 | 112.3 | K67 I88 K89 R99 I186 R232 | K67-E230 WeakPolarHBondContact CE-OE2 3.47Å; K67-E230 IonicContact NZ-OE1 3.54Å; K67-E230 IonicContact NZ-OE2 3.34Å; K67-E230 PolarHBondContact NZ-OE2 2.84Å; I88-E230 HydrophobicContact CG2-CG 4.47Å; K89-E230 HydrophobicContact CB-CG 4.37Å; R99-E230 HydrophobicContact CB-CB 4.48Å; R99-E230 WeakPolarHBondContact CB-O 2.92Å; R99-E230 PolarHBondContact N-O 2.86Å; R99-E230 IonicContact NE-OE2 2.8Å; I186-E230 HydrophobicContact CD1-CB 4.29Å; E230-R232 VanDerWaalsContact C-N 3.33Å |
| 231 | G | 77.2 | Confident | 87 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 30.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F228 G233 A234 | F228-G231 CarbonylContact O-C 3.5Å; G231-G233 PolarHBondContact O-N 3.13Å; G231-G233 VanDerWaalsContact O-N 3.15Å; G231-A234 WeakPolarHBondContact O-CB 3.45Å; G231-A234 PolarHBondContact O-N 2.57Å |
| 232 | R | 83.9 | Confident | 87 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 122.5 | -177.6 | -178.2 | -178 | -68.3 | -101.4 | 6.6 | 110 | N96 S98 F228 E230 A234 | N96-R232 PolarHBondContact OD1-NH1 3.06Å; N96-R232 PolarHBondContact OD1-NH2 2.8Å; N96-R232 VanDerWaalsContact OD1-NH2 3.07Å; S98-R232 WeakPolarHBondContact CB-O 3.28Å; F228-R232 VanDerWaalsContact O-CA 3.3Å; F228-R232 WeakPolarHBondContact O-CA 3.48Å; F228-R232 PolarHBondContact O-N 2.64Å; F228-R232 VanDerWaalsContact O-N 3.1Å; E230-R232 VanDerWaalsContact C-N 3.33Å; R232-A234 PolarHBondContact O-N 3.17Å |
| 233 | G | 84.6 | Confident | 87 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 0.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K193 G231 F235 | K193-G233 VanDerWaalsContact CD-O 3.24Å; K193-G233 WeakPolarHBondContact CD-O 3.39Å; K193-G233 PolarHBondContact NZ-O 2.91Å; G231-G233 PolarHBondContact O-N 3.13Å; G231-G233 VanDerWaalsContact O-N 3.15Å; G233-F235 VanDerWaalsContact C-N 3.34Å; G233-F235 PolarHBondContact O-N 2.95Å |
| 234 | A | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -87.6 | 69.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I186 R189 N190 G231 R232 | I186-A234 HydrophobicContact CG2-CB 4Å; R189-A234 HydrophobicContact CB-CB 4.43Å; R189-A234 VanDerWaalsContact CD-O 3.27Å; R189-A234 WeakPolarHBondContact CD-O 3.44Å; R189-A234 PolarHBondContact NE-O 3.08Å; N190-A234 VanDerWaalsContact OD1-CA 3.23Å; N190-A234 WeakPolarHBondContact OD1-CA 3.22Å; N190-A234 WeakPolarHBondContact OD1-CB 3.45Å; G231-A234 WeakPolarHBondContact O-CB 3.45Å; G231-A234 PolarHBondContact O-N 2.57Å; R232-A234 PolarHBondContact O-N 3.17Å | ||
| 235 | F | 92.8 | Very high | 87.6 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | trans | -147.4 | 161.1 | 176 | 55.8 | -96.2 | 0 | 0 | 0 | 109.5 | K193 Y220 K221 G233 P237 | K193-F235 WeakPolarHBondContact CD-O 3.17Å; K193-F235 WeakPolarHBondContact CG-O 3.28Å; Y220-F235 CarbonylContact O-C 3.56Å; Y220-F235 WeakPolarHBondContact O-CA 3.49Å; K221-F235 WeakPolarHBondContact O-CD2 3.46Å; G233-F235 VanDerWaalsContact C-N 3.34Å; G233-F235 PolarHBondContact O-N 2.95Å; F235-P237 HydrophobicContact CD2-CG 3.59Å; F235-P237 HydrophobicContact CE2-CG 3.58Å; F235-P237 WeakPolarHBondContact O-CD 3.41Å | ||
| 236 | V | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -121.3 | 83.8 | -171.6 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | L192 K193 I203 Y220 K221 T238 I239 | L192-V236 HydrophobicContact CB-CG2 3.77Å; K193-V236 HydrophobicContact CB-CG2 4.24Å; I203-V236 HydrophobicContact CD1-CG1 3.66Å; Y220-V236 PolarHBondContact O-N 3.4Å; K221-V236 WeakPolarHBondContact CA-O 3.36Å; V236-T238 PolarHBondContact O-N 2.9Å; V236-T238 VanDerWaalsContact O-N 3.14Å; V236-I239 HydrophobicContact CB-CB 4.4Å; V236-I239 HydrophobicContact CB-CG2 4.49Å; V236-I239 HydrophobicContact CG1-CB 4.11Å; V236-I239 WeakPolarHBondContact O-CG2 3.22Å; V236-I239 PolarHBondContact O-N 3.21Å; V236-I239 VanDerWaalsContact O-N 3.14Å | ||
| 237 | P | 93.7 | Very high | 89.3 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 45% | 0.448 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.2 | -173.7 | -25.4 | 34.8 | 0 | 0 | 0 | 114.2 | K221 F235 I239 | K221-P237 VanDerWaalsContact CE-O 3.25Å; K221-P237 WeakPolarHBondContact CE-O 3.27Å; F235-P237 HydrophobicContact CD2-CG 3.59Å; F235-P237 HydrophobicContact CE2-CG 3.58Å; F235-P237 WeakPolarHBondContact O-CD 3.41Å; P237-I239 VanDerWaalsContact C-N 3.25Å; P237-I239 PolarHBondContact O-N 2.67Å |
| 238 | T | 94.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.3 | -176.1 | 64 | 0 | 0 | 0 | 0 | 113.2 | S196 V236 E240 | S196-T238 PolarHBondContact OG-OG1 3.08Å; V236-T238 PolarHBondContact O-N 2.9Å; V236-T238 VanDerWaalsContact O-N 3.14Å; T238-E240 PolarHBondContact O-N 3.05Å |
| 239 | I | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.1 | 177.8 | -166.8 | 169.5 | 0 | 0 | 0 | 110.5 | V153 I203 F207 Y217 Y220 K221 V236 P237 | V153-I239 HydrophobicContact CB-CD1 4.45Å; V153-I239 HydrophobicContact CG2-CD1 4.37Å; I203-I239 HydrophobicContact CB-CB 4.44Å; I203-I239 HydrophobicContact CB-CG1 4.38Å; I203-I239 HydrophobicContact CG2-CB 4.28Å; I203-I239 HydrophobicContact CG2-CD1 4.02Å; I203-I239 HydrophobicContact CG2-CG1 3.85Å; I203-I239 CarbonylContact O-C 3.39Å; I203-I239 VanDerWaalsContact O-CA 3.27Å; I203-I239 WeakPolarHBondContact O-CA 3.46Å; F207-I239 HydrophobicContact CZ-CD1 4.25Å; Y217-I239 HydrophobicContact CD2-CG2 4.35Å; Y217-I239 HydrophobicContact CE2-CG2 4.01Å; Y220-I239 HydrophobicContact CD1-CD1 4.45Å; Y220-I239 HydrophobicContact CG-CD1 4.1Å; K221-I239 HydrophobicContact CB-CG2 3.65Å; K221-I239 HydrophobicContact CD-CG2 4.33Å; K221-I239 HydrophobicContact CG-CG2 4.01Å; V236-I239 HydrophobicContact CB-CB 4.4Å; V236-I239 HydrophobicContact CB-CG2 4.49Å; V236-I239 HydrophobicContact CG1-CB 4.11Å; V236-I239 WeakPolarHBondContact O-CG2 3.22Å; V236-I239 PolarHBondContact O-N 3.21Å; V236-I239 VanDerWaalsContact O-N 3.14Å; P237-I239 VanDerWaalsContact C-N 3.25Å; P237-I239 PolarHBondContact O-N 2.67Å |
| 240 | E | 95.9 | Very high | 92 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 41% | 0.411 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | 178 | -67.9 | -178.4 | 177 | 0 | 0 | 110.2 | I203 Y204 G205 T238 I242 | I203-E240 PolarHBondContact O-N 3.14Å; Y204-E240 CarbonylContact C-O 3.52Å; Y204-E240 WeakPolarHBondContact CA-O 3.39Å; Y204-E240 HydrophobicContact CD1-CB 4.12Å; Y204-E240 HydrophobicContact CE1-CB 4.47Å; G205-E240 PolarHBondContact N-O 3.19Å; T238-E240 PolarHBondContact O-N 3.05Å; E240-I242 PolarHBondContact O-N 2.97Å |
| 241 | W | 97.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.9 | 174.4 | -177.1 | 28.4 | 0 | 0 | 0 | 109.3 | F207 I214 Y217 G243 L244 F245 V284 V285 E288 | F207-W241 AromaticContact CD2-CD1 3.76Å; I214-W241 HydrophobicContact CD1-CH2 3.96Å; I214-W241 HydrophobicContact CG1-CH2 3.76Å; I214-W241 HydrophobicContact CG1-CZ2 4.03Å; I214-W241 HydrophobicContact CG1-CZ3 4.41Å; Y217-W241 HydrophobicContact CD1-CB 4.09Å; Y217-W241 HydrophobicContact CD1-CG 4.41Å; Y217-W241 HydrophobicContact CD2-CB 3.78Å; Y217-W241 HydrophobicContact CD2-CG 4.45Å; Y217-W241 HydrophobicContact CE1-CB 3.92Å; Y217-W241 HydrophobicContact CE2-CB 3.59Å; Y217-W241 HydrophobicContact CG-CB 4.01Å; Y217-W241 HydrophobicContact CG-CG 4.31Å; W241-G243 VanDerWaalsContact NE1-C 3.29Å; W241-G243 PolarHBondContact NE1-O 2.82Å; W241-L244 WeakPolarHBondContact CZ2-O 3.45Å; W241-F245 AromaticContact CD2-CD1 3.82Å; W241-F245 HydrophobicContact CD2-CD1 3.82Å; W241-F245 AromaticContact CD2-CE1 3.48Å; W241-F245 HydrophobicContact CD2-CE1 3.48Å; W241-F245 VanDerWaalsContact CD2-CE1 3.48Å; W241-F245 AromaticContact CE2-CD1 3.67Å; W241-F245 AromaticContact CE2-CE1 3.78Å; W241-F245 AromaticContact CE3-CD1 3.88Å; W241-F245 HydrophobicContact CE3-CD1 3.88Å; W241-F245 AromaticContact CE3-CE1 3.63Å; W241-F245 HydrophobicContact CE3-CE1 3.63Å; W241-F245 AromaticContact CG-CE1 3.88Å; W241-F245 HydrophobicContact CG-CE1 3.88Å; W241-F245 AromaticContact CH2-CD1 3.71Å; W241-F245 HydrophobicContact CH2-CD1 3.71Å; W241-F245 HydrophobicContact CH2-CE1 4.33Å; W241-F245 AromaticContact CZ2-CD1 3.64Å; W241-F245 HydrophobicContact CZ2-CD1 3.64Å; W241-F245 HydrophobicContact CZ2-CE1 4.21Å; W241-F245 AromaticContact CZ3-CD1 3.82Å; W241-F245 HydrophobicContact CZ3-CD1 3.82Å; W241-F245 HydrophobicContact CZ3-CE1 4.05Å; W241-F245 VanDerWaalsContact O-CZ 3.27Å; W241-F245 WeakPolarHBondContact O-CZ 3.13Å; W241-V284 HydrophobicContact CE3-CG1 4.33Å; W241-V284 HydrophobicContact CZ3-CG1 4.46Å; W241-V285 HydrophobicContact CE3-CG2 4Å; W241-V285 HydrophobicContact CZ3-CG2 4.17Å; W241-E288 HydrophobicContact CH2-CB 3.82Å; W241-E288 HydrophobicContact CH2-CG 3.81Å; W241-E288 HydrophobicContact CZ3-CB 3.92Å; W241-E288 HydrophobicContact CZ3-CG 3.73Å |
| 242 | I | 95.9 | Very high | 93 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | trans | -106 | 14 | -179.9 | 65.4 | 158.5 | 0 | 0 | 0 | 112.3 | L152 Y204 G205 E240 R320 V321 I324 | L152-I242 HydrophobicContact CD1-CD1 3.83Å; Y204-I242 HydrophobicContact CD1-CG2 3.49Å; Y204-I242 VanDerWaalsContact CD1-CG2 3.49Å; Y204-I242 HydrophobicContact CE1-CG2 4.35Å; Y204-I242 HydrophobicContact CG-CD1 4.42Å; Y204-I242 HydrophobicContact CG-CG2 4Å; G205-I242 WeakPolarHBondContact O-CG1 3.23Å; G205-I242 PolarHBondContact O-N 3Å; E240-I242 PolarHBondContact O-N 2.97Å; I242-R320 HydrophobicContact CB-CB 4.29Å; I242-R320 WeakPolarHBondContact O-CD 3.48Å; I242-R320 PolarHBondContact O-NH1 3.32Å; I242-V321 HydrophobicContact CD1-CG2 4.06Å; I242-I324 HydrophobicContact CG2-CD1 3.97Å | ||
| 243 | G | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 122.9 | -172.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L206 F207 W241 | L206-G243 CarbonylContact C-O 3.56Å; L206-G243 VanDerWaalsContact CA-O 3.23Å; L206-G243 WeakPolarHBondContact CA-O 3.36Å; L206-G243 VanDerWaalsContact CD1-C 3.44Å; L206-G243 WeakPolarHBondContact CD1-O 3.13Å; F207-G243 PolarHBondContact N-O 2.77Å; F207-G243 CarbonylContact O-C 3.47Å; W241-G243 VanDerWaalsContact NE1-C 3.29Å; W241-G243 PolarHBondContact NE1-O 2.82Å | ||
| 244 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | cis | -62.4 | 128 | -13.7 | 178.2 | 65.6 | 0 | 0 | 0 | 108.9 | F207 A209 W241 D248 F252 M299 L301 I304 | F207-L244 PolarHBondContact O-N 2.87Å; A209-L244 HydrophobicContact CB-CB 4.24Å; A209-L244 HydrophobicContact CB-CD2 3.92Å; A209-L244 HydrophobicContact CB-CG 3.87Å; A209-L244 WeakPolarHBondContact CB-O 3.48Å; W241-L244 WeakPolarHBondContact CZ2-O 3.45Å; L244-D248 HydrophobicContact CD1-CB 3.59Å; L244-F252 HydrophobicContact CD1-CE2 4.49Å; L244-M299 HydrophobicContact CD2-CB 4.02Å; L244-M299 HydrophobicContact CD2-CE 4.16Å; L244-M299 HydrophobicContact CG-CE 4.41Å; L244-L301 HydrophobicContact CB-CD2 3.78Å; L244-I304 HydrophobicContact CD1-CD1 3.8Å; L244-I304 HydrophobicContact CD1-CG1 3.82Å; L244-I304 HydrophobicContact CD2-CG1 4.17Å | ||
| 245 | F | 96.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | trans | -84.4 | 144.6 | 175 | -58.6 | -58.2 | 0 | 0 | 0 | 109.4 | W241 T247 D248 V284 E288 | W241-F245 AromaticContact CD2-CD1 3.82Å; W241-F245 HydrophobicContact CD2-CD1 3.82Å; W241-F245 AromaticContact CD2-CE1 3.48Å; W241-F245 HydrophobicContact CD2-CE1 3.48Å; W241-F245 VanDerWaalsContact CD2-CE1 3.48Å; W241-F245 AromaticContact CE2-CD1 3.67Å; W241-F245 AromaticContact CE2-CE1 3.78Å; W241-F245 AromaticContact CE3-CD1 3.88Å; W241-F245 HydrophobicContact CE3-CD1 3.88Å; W241-F245 AromaticContact CE3-CE1 3.63Å; W241-F245 HydrophobicContact CE3-CE1 3.63Å; W241-F245 AromaticContact CG-CE1 3.88Å; W241-F245 HydrophobicContact CG-CE1 3.88Å; W241-F245 AromaticContact CH2-CD1 3.71Å; W241-F245 HydrophobicContact CH2-CD1 3.71Å; W241-F245 HydrophobicContact CH2-CE1 4.33Å; W241-F245 AromaticContact CZ2-CD1 3.64Å; W241-F245 HydrophobicContact CZ2-CD1 3.64Å; W241-F245 HydrophobicContact CZ2-CE1 4.21Å; W241-F245 AromaticContact CZ3-CD1 3.82Å; W241-F245 HydrophobicContact CZ3-CD1 3.82Å; W241-F245 HydrophobicContact CZ3-CE1 4.05Å; W241-F245 VanDerWaalsContact O-CZ 3.27Å; W241-F245 WeakPolarHBondContact O-CZ 3.13Å; F245-T247 PolarHBondContact O-N 2.79Å; F245-D248 HydrophobicContact CB-CB 4.46Å; F245-D248 WeakPolarHBondContact CB-OD2 3.36Å; F245-D248 WeakPolarHBondContact CD2-OD2 3.36Å; F245-D248 PolarHBondContact N-OD2 3.48Å; F245-D248 WeakPolarHBondContact O-CB 3.23Å; F245-D248 PolarHBondContact O-N 3.2Å; F245-V284 HydrophobicContact CE1-CG1 4.06Å; F245-E288 HydrophobicContact CB-CG 4.33Å; F245-E288 HydrophobicContact CD1-CG 4.08Å | ||
| 246 | P | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -49.5 | -43.9 | 169 | -29.3 | 36.4 | 0 | 0 | 0 | 112.7 | A209 D248 F249 E288 W291 M292 M299 | A209-P246 HydrophobicContact CB-CG 4.27Å; P246-D248 PolarHBondContact O-N 2.86Å; P246-F249 WeakPolarHBondContact O-CB 3.27Å; P246-F249 PolarHBondContact O-N 3.47Å; P246-E288 WeakPolarHBondContact CD-OE2 3.1Å; P246-E288 HydrophobicContact CG-CB 4.03Å; P246-W291 HydrophobicContact CB-CD2 4.4Å; P246-W291 HydrophobicContact CB-CE3 3.37Å; P246-W291 HydrophobicContact CB-CZ3 3.58Å; P246-W291 WeakPolarHBondContact O-CH2 3.33Å; P246-W291 WeakPolarHBondContact O-CZ3 3.46Å; P246-M292 HydrophobicContact CB-CB 4.46Å; P246-M292 HydrophobicContact CB-CE 4.22Å; P246-M292 HydrophobicContact CG-CE 3.39Å; P246-M299 WeakPolarHBondContact O-CE 3.15Å |
| 247 | T | 95.6 | Very high | 93.2 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 23% | 0.233 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -64.7 | -16.1 | 176.9 | 51 | 0 | 0 | 0 | 0 | 114.8 | F245 F249 H250 E288 W291 | F245-T247 PolarHBondContact O-N 2.79Å; T247-F249 PolarHBondContact O-N 3.38Å; T247-F249 VanDerWaalsContact O-N 3.15Å; T247-H250 PolarHBondContact O-N 3.01Å; T247-E288 WeakPolarHBondContact CB-OE2 3.24Å; T247-E288 WeakPolarHBondContact CG2-OE2 3.37Å; T247-E288 PolarHBondContact N-OE2 3.09Å; T247-E288 VanDerWaalsContact N-OE2 3.08Å; T247-E288 VanDerWaalsContact OG1-CD 3.28Å; T247-E288 PolarHBondContact OG1-OE1 3.49Å; T247-E288 PolarHBondContact OG1-OE2 3.24Å; T247-W291 HydrophobicContact CG2-CB 4.11Å; T247-W291 HydrophobicContact CG2-CD2 3.83Å; T247-W291 HydrophobicContact CG2-CG 3.58Å |
| 248 | D | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.7 | -12.7 | 176.6 | -72 | -34.1 | 0 | 0 | 0 | 112.9 | L244 F245 P246 H250 R251 F252 R320 | L244-D248 HydrophobicContact CD1-CB 3.59Å; F245-D248 HydrophobicContact CB-CB 4.46Å; F245-D248 WeakPolarHBondContact CB-OD2 3.36Å; F245-D248 WeakPolarHBondContact CD2-OD2 3.36Å; F245-D248 PolarHBondContact N-OD2 3.48Å; F245-D248 WeakPolarHBondContact O-CB 3.23Å; F245-D248 PolarHBondContact O-N 3.2Å; P246-D248 PolarHBondContact O-N 2.86Å; D248-H250 PolarHBondContact O-N 2.88Å; D248-H250 VanDerWaalsContact O-N 3.16Å; D248-R251 PolarHBondContact O-N 3.47Å; D248-R251 WeakPolarHBondContact OD1-CD 3.36Å; D248-R251 IonicContact OD1-NH1 3.68Å; D248-R251 PolarHBondContact OD1-NH1 3.15Å; D248-F252 HydrophobicContact CB-CD2 3.88Å; D248-F252 HydrophobicContact CB-CE2 3.82Å; D248-F252 WeakPolarHBondContact O-CD2 3.49Å; D248-F252 PolarHBondContact O-N 3.28Å; D248-R320 IonicContact OD1-CZ 3.05Å; D248-R320 IonicContact OD1-NH1 3.71Å; D248-R320 IonicContact OD1-NH2 2.81Å; D248-R320 PolarHBondContact OD1-NH2 2.98Å; D248-R320 IonicContact OD2-CZ 2.87Å; D248-R320 VanDerWaalsContact OD2-CZ 3.29Å; D248-R320 IonicContact OD2-NH1 2.7Å; D248-R320 PolarHBondContact OD2-NH1 2.99Å; D248-R320 IonicContact OD2-NH2 2.83Å; D248-R320 PolarHBondContact OD2-NH2 3.31Å |
| 249 | F | 92.8 | Very high | 93.1 | Very high | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -50.1 | -37.8 | 170.4 | 174.9 | -106.5 | 0 | 0 | 0 | 112.8 | P246 T247 R251 F252 I254 C259 W291 F297 M299 | P246-F249 WeakPolarHBondContact O-CB 3.27Å; P246-F249 PolarHBondContact O-N 3.47Å; T247-F249 PolarHBondContact O-N 3.38Å; T247-F249 VanDerWaalsContact O-N 3.15Å; F249-R251 VanDerWaalsContact C-N 3.32Å; F249-F252 VanDerWaalsContact O-O 3.12Å; F249-I254 HydrophobicContact CD2-CB 4.34Å; F249-C259 WeakPolarHBondContact CE2-SG 3.31Å; F249-W291 HydrophobicContact CB-CH2 4.01Å; F249-F297 HydrophobicContact CB-CE2 4.16Å; F249-F297 HydrophobicContact CB-CZ 3.88Å; F249-F297 HydrophobicContact CD1-CE1 4.46Å; F249-F297 AromaticContact CD1-CZ 3.72Å; F249-F297 HydrophobicContact CD1-CZ 3.72Å; F249-F297 AromaticContact CD2-CE2 3.97Å; F249-F297 HydrophobicContact CD2-CE2 3.97Å; F249-F297 AromaticContact CD2-CZ 3.81Å; F249-F297 HydrophobicContact CD2-CZ 3.81Å; F249-F297 HydrophobicContact CE1-CZ 4.19Å; F249-F297 HydrophobicContact CE2-CZ 4.29Å; F249-F297 AromaticContact CG-CE2 4Å; F249-F297 HydrophobicContact CG-CE2 4Å; F249-F297 AromaticContact CG-CZ 3.5Å; F249-F297 HydrophobicContact CG-CZ 3.5Å; F249-F297 HydrophobicContact CZ-CZ 4.46Å; F249-M299 HydrophobicContact CB-CE 3.84Å; F249-M299 HydrophobicContact CB-SD 3.93Å; F249-M299 HydrophobicContact CD2-SD 3.9Å; F249-M299 HydrophobicContact CG-SD 4.39Å |
| 250 | H | 89.7 | Confident | 93.1 | Very high | 130 Ų | 130 | 55 Ų | 55 | 60% | 0.602 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -79.5 | -15 | 179.3 | -62.9 | -57.3 | 0 | 0 | 0 | 113.8 | T247 D248 W291 | T247-H250 PolarHBondContact O-N 3.01Å; D248-H250 PolarHBondContact O-N 2.88Å; D248-H250 VanDerWaalsContact O-N 3.16Å; H250-W291 AromaticContact CD2-CZ2 3.88Å; H250-W291 AromaticContact NE2-CZ2 3.47Å; H250-W291 WeakPolarHBondContact NE2-CZ2 3.31Å; H250-W291 AromaticContact NE2-NE1 4Å |
| 251 | R | 90.1 | Very high | 93.1 | Very high | 154 Ų | 154 | 55.2 Ų | 55.2 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -25.1 | -175.3 | -65.5 | 178.3 | 65.9 | -177.3 | 7 | 112.8 | D248 F249 | D248-R251 PolarHBondContact O-N 3.47Å; D248-R251 WeakPolarHBondContact OD1-CD 3.36Å; D248-R251 IonicContact OD1-NH1 3.68Å; D248-R251 PolarHBondContact OD1-NH1 3.15Å; F249-R251 VanDerWaalsContact C-N 3.32Å |
| 252 | F | 90.8 | Very high | 93.1 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -117.5 | 150.8 | -177.3 | -59.8 | -67.2 | 0 | 0 | 0 | 110.8 | L244 D248 F249 I254 I304 Y311 F315 L316 | L244-F252 HydrophobicContact CD1-CE2 4.49Å; D248-F252 HydrophobicContact CB-CD2 3.88Å; D248-F252 HydrophobicContact CB-CE2 3.82Å; D248-F252 WeakPolarHBondContact O-CD2 3.49Å; D248-F252 PolarHBondContact O-N 3.28Å; F249-F252 VanDerWaalsContact O-O 3.12Å; F252-I254 HydrophobicContact CB-CD1 4.19Å; F252-I254 HydrophobicContact CB-CG1 3.84Å; F252-I254 PolarHBondContact O-N 3.15Å; F252-I304 HydrophobicContact CB-CD1 3.97Å; F252-I304 HydrophobicContact CD2-CD1 3.56Å; F252-I304 HydrophobicContact CE2-CD1 4.17Å; F252-I304 HydrophobicContact CG-CD1 3.78Å; F252-Y311 AromaticContact CD1-CE1 3.55Å; F252-Y311 HydrophobicContact CD1-CE1 3.55Å; F252-Y311 HydrophobicContact CE1-CE1 4.07Å; F252-Y311 HydrophobicContact CG-CE1 4.39Å; F252-F315 HydrophobicContact CE1-CB 4.1Å; F252-L316 HydrophobicContact CE2-CD1 3.71Å; F252-L316 HydrophobicContact CZ-CB 4.08Å; F252-L316 HydrophobicContact CZ-CD1 3.7Å |
| 253 | T | 88.9 | Confident | 93.2 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 69% | 0.693 | 31% | 0.305 | S | S | * | . | trans | -79.8 | 72.2 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | C307 | T253-C307 PolarHBondContact O-SG 3.25Š| ||
| 254 | I | 90.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | trans | -85.9 | 126.9 | 179.7 | -59.9 | 177.5 | 0 | 0 | 0 | 109.1 | F249 F252 Q258 M299 I304 | F249-I254 HydrophobicContact CD2-CB 4.34Å; F252-I254 HydrophobicContact CB-CD1 4.19Å; F252-I254 HydrophobicContact CB-CG1 3.84Å; F252-I254 PolarHBondContact O-N 3.15Å; I254-Q258 HydrophobicContact CG2-CB 3.95Å; I254-M299 HydrophobicContact CD1-CE 4.2Å; I254-M299 HydrophobicContact CD1-SD 3.45Å; I254-M299 WeakPolarHBondContact CD1-SD 3.43Å; I254-M299 HydrophobicContact CG2-SD 4.27Å; I254-I304 HydrophobicContact CD1-CD1 3.74Å; I254-I304 HydrophobicContact CG1-CD1 4.11Å | ||
| 255 | D | 89.3 | Confident | 93.4 | Very high | 101 Ų | 101 | 73.5 Ų | 73.5 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | trans | -64.3 | 136.7 | 175.1 | -171.6 | -68 | 0 | 0 | 0 | 110.4 | S257 Q258 | D255-S257 PolarHBondContact O-N 3.46Å; D255-S257 VanDerWaalsContact O-N 3.13Å; D255-S257 WeakPolarHBondContact OD1-CB 3.27Å; D255-S257 PolarHBondContact OD1-N 3.14Å; D255-S257 PolarHBondContact OD1-OG 3.47Å; D255-Q258 HydrophobicContact CB-CG 4.32Å; D255-Q258 WeakPolarHBondContact O-CB 3.35Å; D255-Q258 PolarHBondContact O-N 2.71Å | ||
| 256 | Q | 88.5 | Confident | 93.5 | Very high | 165 Ų | 165 | 72.4 Ų | 72.4 | 77% | 0.771 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -61.8 | -24.2 | -176.6 | -156.8 | 173.4 | 17 | 0 | 0 | 112.8 | Q258 C259 | Q256-Q258 PolarHBondContact O-N 3.23Å; Q256-C259 WeakPolarHBondContact O-CB 3.36Å; Q256-C259 PolarHBondContact O-N 3.34Å; Q256-C259 VanDerWaalsContact O-N 3.13Å |
| 257 | S | 91.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 75.2 Ų | 75.2 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -63.5 | -23 | 172 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | D255 C259 | D255-S257 PolarHBondContact O-N 3.46Å; D255-S257 VanDerWaalsContact O-N 3.13Å; D255-S257 WeakPolarHBondContact OD1-CB 3.27Å; D255-S257 PolarHBondContact OD1-N 3.14Å; D255-S257 PolarHBondContact OD1-OG 3.47Å; S257-C259 VanDerWaalsContact C-N 3.33Å |
| 258 | Q | 92.8 | Very high | 93.6 | Very high | 62 Ų | 62 | 76.1 Ų | 76.1 | 29% | 0.29 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -84.9 | -9.8 | 176.6 | -55.5 | -58.8 | -62.8 | 0 | 0 | 112.4 | I254 D255 Q256 L260 | I254-Q258 HydrophobicContact CG2-CB 3.95Å; D255-Q258 HydrophobicContact CB-CG 4.32Å; D255-Q258 WeakPolarHBondContact O-CB 3.35Å; D255-Q258 PolarHBondContact O-N 2.71Å; Q256-Q258 PolarHBondContact O-N 3.23Å; Q258-L260 PolarHBondContact O-N 2.91Å |
| 259 | C | 94.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 77.5 Ų | 77.5 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | trans | -86.7 | 102 | 177 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | F249 Q256 S257 F297 | F249-C259 WeakPolarHBondContact CE2-SG 3.31Å; Q256-C259 WeakPolarHBondContact O-CB 3.36Å; Q256-C259 PolarHBondContact O-N 3.34Å; Q256-C259 VanDerWaalsContact O-N 3.13Å; S257-C259 VanDerWaalsContact C-N 3.33Å; C259-F297 HydrophobicContact CB-CB 4.4Å; C259-F297 HydrophobicContact CB-CD2 3.82Å; C259-F297 HydrophobicContact CB-CE2 4.29Å; C259-F297 HydrophobicContact CB-CG 4.17Å | ||
| 260 | L | 96.2 | Very high | 93.8 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.4 | -177.5 | -58.1 | 176.7 | 0 | 0 | 0 | 110.1 | Q258 F297 K298 E300 | Q258-L260 PolarHBondContact O-N 2.91Å; L260-F297 CarbonylContact O-C 3.52Å; L260-F297 WeakPolarHBondContact O-CA 3.47Å; L260-F297 VanDerWaalsContact O-CB 3.31Å; L260-F297 WeakPolarHBondContact O-CB 3.46Å; L260-K298 HydrophobicContact CB-CG 3.92Å; L260-K298 PolarHBondContact N-O 2.9Å; L260-K298 WeakPolarHBondContact O-CG 3.22Å; L260-K298 PolarHBondContact O-N 3.32Å; L260-E300 HydrophobicContact CD1-CG 4.36Å |
| 261 | P | 97.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 74.7 Ų | 74.7 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.6 | 176.9 | 27.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 262 | L | 97.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 135.4 | 172.4 | -65.6 | 180 | 0 | 0 | 0 | 110.7 | D266 F267 I270 M292 K296 K298 | L262-D266 HydrophobicContact CB-CB 4.26Å; L262-D266 HydrophobicContact CD2-CB 3.96Å; L262-F267 HydrophobicContact CB-CD2 4.26Å; L262-F267 HydrophobicContact CB-CE1 4.39Å; L262-F267 HydrophobicContact CB-CE2 3.57Å; L262-F267 HydrophobicContact CB-CZ 3.65Å; L262-F267 HydrophobicContact CD1-CD1 4.46Å; L262-F267 HydrophobicContact CD1-CE1 3.86Å; L262-F267 HydrophobicContact CD1-CZ 3.89Å; L262-F267 HydrophobicContact CG-CZ 4.43Å; L262-I270 HydrophobicContact CD1-CD1 3.97Å; L262-M292 HydrophobicContact CD1-CG 4Å; L262-M292 WeakPolarHBondContact CD1-O 3.44Å; L262-M292 HydrophobicContact CD2-CG 4.16Å; L262-M292 HydrophobicContact CD2-SD 4.08Å; L262-K296 PolarHBondContact N-O 2.94Å; L262-K298 HydrophobicContact CD2-CB 3.88Å; L262-K298 HydrophobicContact CD2-CD 4.17Å; L262-K298 HydrophobicContact CD2-CG 4.11Å |
| 263 | V | 96.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 73.9 Ų | 73.9 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 166.8 | 173.8 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | T265 D266 F267 | V263-T265 VanDerWaalsContact CG2-OG1 3.23Å; V263-T265 WeakPolarHBondContact CG2-OG1 3.33Å; V263-T265 PolarHBondContact O-N 3.28Å; V263-T265 VanDerWaalsContact O-N 3.09Å; V263-D266 HydrophobicContact CG2-CB 4.45Å; V263-D266 WeakPolarHBondContact CG2-OD2 3.29Å; V263-D266 PolarHBondContact N-OD2 2.77Å; V263-D266 WeakPolarHBondContact O-CA 3.44Å; V263-D266 VanDerWaalsContact O-CB 3.24Å; V263-D266 WeakPolarHBondContact O-CB 3.23Å; V263-D266 PolarHBondContact O-N 3.19Å; V263-F267 VanDerWaalsContact O-CD2 3.27Å; V263-F267 WeakPolarHBondContact O-CD2 3.24Å; V263-F267 PolarHBondContact O-N 3.35Å |
| 264 | R | 96.7 | Very high | 94.9 | Very high | 220 Ų | 220 | 70.3 Ų | 70.3 | 83% | 0.83 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.1 | -38 | -178.1 | -175 | 175.6 | 179.7 | 141.6 | 2 | 113.7 | D266 F267 V268 | R264-D266 VanDerWaalsContact C-N 3.29Å; R264-D266 PolarHBondContact O-N 2.81Å; R264-F267 PolarHBondContact O-N 3.47Å; R264-V268 WeakPolarHBondContact O-CG2 3.45Å; R264-V268 PolarHBondContact O-N 3.17Å |
| 265 | T | 96.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 60% | 0.595 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.5 | -31.9 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | V263 K269 | V263-T265 VanDerWaalsContact CG2-OG1 3.23Å; V263-T265 WeakPolarHBondContact CG2-OG1 3.33Å; V263-T265 PolarHBondContact O-N 3.28Å; V263-T265 VanDerWaalsContact O-N 3.09Å; T265-K269 WeakPolarHBondContact O-CB 3.15Å; T265-K269 PolarHBondContact O-N 3Å |
| 266 | D | 97.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 176.7 | -62.7 | -27 | 0 | 0 | 0 | 109.9 | P211 L262 V263 R264 V268 K269 I270 K298 | P211-D266 HydrophobicContact CG-CB 3.98Å; L262-D266 HydrophobicContact CB-CB 4.26Å; L262-D266 HydrophobicContact CD2-CB 3.96Å; V263-D266 HydrophobicContact CG2-CB 4.45Å; V263-D266 WeakPolarHBondContact CG2-OD2 3.29Å; V263-D266 PolarHBondContact N-OD2 2.77Å; V263-D266 WeakPolarHBondContact O-CA 3.44Å; V263-D266 VanDerWaalsContact O-CB 3.24Å; V263-D266 WeakPolarHBondContact O-CB 3.23Å; V263-D266 PolarHBondContact O-N 3.19Å; R264-D266 VanDerWaalsContact C-N 3.29Å; R264-D266 PolarHBondContact O-N 2.81Å; D266-V268 PolarHBondContact O-N 3.16Å; D266-K269 WeakPolarHBondContact O-CA 3.13Å; D266-K269 WeakPolarHBondContact O-CB 3.36Å; D266-K269 PolarHBondContact O-N 3.18Å; D266-I270 WeakPolarHBondContact O-CG1 3.38Å; D266-I270 PolarHBondContact O-N 3.23Å; D266-K298 IonicContact OD1-NZ 2.97Å; D266-K298 PolarHBondContact OD1-NZ 2.9Å; D266-K298 WeakPolarHBondContact OD2-CE 3.24Å; D266-K298 IonicContact OD2-NZ 2.74Å; D266-K298 PolarHBondContact OD2-NZ 2.8Å |
| 267 | F | 97.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56 | -48.7 | 176.6 | -70.7 | -74.6 | 0 | 0 | 0 | 112.3 | L262 V263 R264 K269 I270 E271 K296 | L262-F267 HydrophobicContact CB-CD2 4.26Å; L262-F267 HydrophobicContact CB-CE1 4.39Å; L262-F267 HydrophobicContact CB-CE2 3.57Å; L262-F267 HydrophobicContact CB-CZ 3.65Å; L262-F267 HydrophobicContact CD1-CD1 4.46Å; L262-F267 HydrophobicContact CD1-CE1 3.86Å; L262-F267 HydrophobicContact CD1-CZ 3.89Å; L262-F267 HydrophobicContact CG-CZ 4.43Å; V263-F267 VanDerWaalsContact O-CD2 3.27Å; V263-F267 WeakPolarHBondContact O-CD2 3.24Å; V263-F267 PolarHBondContact O-N 3.35Å; R264-F267 PolarHBondContact O-N 3.47Å; F267-K269 PolarHBondContact O-N 2.8Å; F267-K269 VanDerWaalsContact O-N 3.16Å; F267-I270 PolarHBondContact O-N 3.33Å; F267-E271 WeakPolarHBondContact O-CB 3.32Å; F267-E271 WeakPolarHBondContact O-CG 2.9Å; F267-E271 PolarHBondContact O-N 3.44Å; F267-K296 HydrophobicContact CZ-CG 4.29Å |
| 268 | V | 96.5 | Very high | 96 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 35% | 0.345 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -31.2 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | R264 D266 K272 | R264-V268 WeakPolarHBondContact O-CG2 3.45Å; R264-V268 PolarHBondContact O-N 3.17Å; D266-V268 PolarHBondContact O-N 3.16Å; V268-K272 WeakPolarHBondContact O-CD 3.29Å; V268-K272 WeakPolarHBondContact O-CG 3.21Å |
| 269 | K | 96 | Very high | 96.1 | Very high | 29 Ų | 29 | 69.3 Ų | 69.3 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.2 | -45.8 | 178.2 | -165.8 | 168.9 | -179.3 | 171.7 | 0 | 111.3 | Y183 P211 H212 E215 T265 D266 F267 E271 K272 M273 | Y183-K269 PolarHBondContact OH-NZ 3.47Å; P211-K269 HydrophobicContact CB-CB 4.23Å; P211-K269 HydrophobicContact CB-CD 4.04Å; P211-K269 HydrophobicContact CB-CG 4.23Å; P211-K269 WeakPolarHBondContact O-CE 3.34Å; H212-K269 PolarHBondContact CE1-NZ 3.03Å; H212-K269 VanDerWaalsContact CG-NZ 3.26Å; H212-K269 PolarHBondContact ND1-NZ 3.01Å; E215-K269 VanDerWaalsContact CD-CE 3.48Å; E215-K269 WeakPolarHBondContact OE2-CE 3.38Å; E215-K269 IonicContact OE2-NZ 2.78Å; E215-K269 PolarHBondContact OE2-NZ 3.06Å; T265-K269 WeakPolarHBondContact O-CB 3.15Å; T265-K269 PolarHBondContact O-N 3Å; D266-K269 WeakPolarHBondContact O-CA 3.13Å; D266-K269 WeakPolarHBondContact O-CB 3.36Å; D266-K269 PolarHBondContact O-N 3.18Å; F267-K269 PolarHBondContact O-N 2.8Å; F267-K269 VanDerWaalsContact O-N 3.16Å; K269-E271 PolarHBondContact O-N 3.34Å; K269-K272 PolarHBondContact O-N 2.89Å; K269-M273 HydrophobicContact CG-CE 4.04Å; K269-M273 HydrophobicContact CG-SD 4.22Å; K269-M273 VanDerWaalsContact O-CG 3.31Å; K269-M273 WeakPolarHBondContact O-CG 3.29Å; K269-M273 PolarHBondContact O-N 3.45Å |
| 270 | I | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.2 | -61.4 | 165.4 | 0 | 0 | 0 | 110.6 | P211 L262 D266 F267 K272 M273 I274 L289 M292 I293 | P211-I270 HydrophobicContact CB-CG1 3.98Å; P211-I270 HydrophobicContact CG-CD1 3.75Å; P211-I270 HydrophobicContact CG-CG1 3.52Å; L262-I270 HydrophobicContact CD1-CD1 3.97Å; D266-I270 WeakPolarHBondContact O-CG1 3.38Å; D266-I270 PolarHBondContact O-N 3.23Å; F267-I270 PolarHBondContact O-N 3.33Å; I270-K272 PolarHBondContact O-N 3.21Å; I270-K272 VanDerWaalsContact O-N 3.16Å; I270-M273 HydrophobicContact CG1-CE 4.48Å; I270-M273 PolarHBondContact O-N 3.28Å; I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.03Å; I270-I274 PolarHBondContact O-N 3.04Å; I270-L289 HydrophobicContact CG1-CD2 4.18Å; I270-L289 HydrophobicContact CG2-CB 4.08Å; I270-L289 HydrophobicContact CG2-CD2 4.02Å; I270-M292 HydrophobicContact CD1-CG 4.26Å; I270-M292 HydrophobicContact CD1-SD 3.82Å; I270-M292 HydrophobicContact CG1-SD 4.45Å; I270-I293 HydrophobicContact CD1-CG1 4.27Å; I270-I293 HydrophobicContact CG2-CD1 3.58Å; I270-I293 HydrophobicContact CG2-CG1 3.72Å |
| 271 | E | 95.8 | Very high | 96 | Very high | 125 Ų | 125 | 70.4 Ų | 70.4 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.4 | -34.6 | 178 | -76.3 | 176.1 | 172.4 | 0 | 0 | 112.7 | F267 K269 P275 | F267-E271 WeakPolarHBondContact O-CB 3.32Å; F267-E271 WeakPolarHBondContact O-CG 2.9Å; F267-E271 PolarHBondContact O-N 3.44Å; K269-E271 PolarHBondContact O-N 3.34Å; E271-P275 WeakPolarHBondContact O-CD 3.26Å |
| 272 | K | 94.8 | Very high | 95.9 | Very high | 150 Ų | 150 | 67 Ų | 67 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79.8 | -30.4 | 175.8 | -70.1 | 171.9 | -175 | 172 | 0 | 112.9 | V268 K269 I270 | V268-K272 WeakPolarHBondContact O-CD 3.29Å; V268-K272 WeakPolarHBondContact O-CG 3.21Å; K269-K272 PolarHBondContact O-N 2.89Å; I270-K272 PolarHBondContact O-N 3.21Å; I270-K272 VanDerWaalsContact O-N 3.16Å |
| 273 | M | 95.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -81.4 | -33.4 | -176.9 | -73 | -170.8 | -52.4 | 0 | 0 | 112.9 | P211 I214 E215 K269 I270 R276 S277 L289 | P211-M273 HydrophobicContact CB-CE 3.67Å; P211-M273 WeakPolarHBondContact O-CE 3.27Å; I214-M273 HydrophobicContact CG2-SD 4.47Å; E215-M273 HydrophobicContact CB-SD 3.92Å; K269-M273 HydrophobicContact CG-CE 4.04Å; K269-M273 HydrophobicContact CG-SD 4.22Å; K269-M273 VanDerWaalsContact O-CG 3.31Å; K269-M273 WeakPolarHBondContact O-CG 3.29Å; K269-M273 PolarHBondContact O-N 3.45Å; I270-M273 HydrophobicContact CG1-CE 4.48Å; I270-M273 PolarHBondContact O-N 3.28Å; M273-R276 CarbonylContact O-C 3.45Å; M273-R276 WeakPolarHBondContact O-CB 3.47Å; M273-R276 PolarHBondContact O-N 3.18Å; M273-S277 WeakPolarHBondContact O-CB 3.44Å; M273-S277 PolarHBondContact O-N 3.08Å; M273-S277 PolarHBondContact O-OG 3.36Å; M273-L289 HydrophobicContact CB-CD1 3.85Å; M273-L289 HydrophobicContact CE-CD2 3.7Å |
| 274 | I | 96.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.9 | -55.6 | -179.8 | -73.8 | 172.3 | 0 | 0 | 0 | 111.4 | I270 R276 S277 I278 L289 I293 | I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.03Å; I270-I274 PolarHBondContact O-N 3.04Å; I274-R276 VanDerWaalsContact C-N 3.25Å; I274-R276 PolarHBondContact O-N 2.98Å; I274-S277 PolarHBondContact O-N 2.69Å; I274-S277 VanDerWaalsContact O-N 3.12Å; I274-S277 PolarHBondContact O-OG 2.99Å; I274-I278 HydrophobicContact CG2-CD1 3.93Å; I274-I278 WeakPolarHBondContact O-CG1 3.45Å; I274-I278 PolarHBondContact O-N 2.96Å; I274-I278 VanDerWaalsContact O-N 3.09Å; I274-L289 HydrophobicContact CD1-CB 4.37Å; I274-L289 HydrophobicContact CG1-CB 3.89Å; I274-L289 HydrophobicContact CG1-CD1 4.04Å; I274-I293 HydrophobicContact CD1-CD1 3.6Å |
| 275 | P | 95.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 178.8 | -23.7 | 33.9 | 0 | 0 | 0 | 112.8 | E271 I278 Q279 | E271-P275 WeakPolarHBondContact O-CD 3.26Å; P275-I278 PolarHBondContact O-N 3.06Å; P275-Q279 WeakPolarHBondContact O-CB 3.41Å; P275-Q279 PolarHBondContact O-N 3.1Å |
| 276 | R | 94.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 177.2 | -177.3 | -176.5 | 176.3 | -162.5 | 0.4 | 111.5 | G223 T225 M273 I274 I278 Q279 L280 | G223-R276 PolarHBondContact O-NH2 2.92Å; T225-R276 VanDerWaalsContact OG1-CZ 3.31Å; T225-R276 PolarHBondContact OG1-NH1 2.91Å; M273-R276 CarbonylContact O-C 3.45Å; M273-R276 WeakPolarHBondContact O-CB 3.47Å; M273-R276 PolarHBondContact O-N 3.18Å; I274-R276 VanDerWaalsContact C-N 3.25Å; I274-R276 PolarHBondContact O-N 2.98Å; R276-I278 VanDerWaalsContact C-N 3.32Å; R276-I278 PolarHBondContact O-N 3.04Å; R276-Q279 PolarHBondContact O-N 2.68Å; R276-L280 HydrophobicContact CG-CD1 3.82Å; R276-L280 HydrophobicContact CG-CG 4.42Å; R276-L280 WeakPolarHBondContact O-CB 3.26Å; R276-L280 VanDerWaalsContact O-CG 3.22Å; R276-L280 WeakPolarHBondContact O-CG 3.44Å; R276-L280 PolarHBondContact O-N 3.06Å |
| 277 | S | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 179 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | M273 I274 L280 G281 E282 T286 | M273-S277 WeakPolarHBondContact O-CB 3.44Å; M273-S277 PolarHBondContact O-N 3.08Å; M273-S277 PolarHBondContact O-OG 3.36Å; I274-S277 PolarHBondContact O-N 2.69Å; I274-S277 VanDerWaalsContact O-N 3.12Å; I274-S277 PolarHBondContact O-OG 2.99Å; S277-L280 PolarHBondContact O-N 3.12Å; S277-G281 PolarHBondContact O-N 3.3Å; S277-G281 VanDerWaalsContact O-N 3.1Å; S277-E282 PolarHBondContact O-N 2.96Å; S277-T286 WeakPolarHBondContact CB-OG1 3.42Å; S277-T286 PolarHBondContact OG-OG1 3.22Å |
| 278 | I | 95.9 | Very high | 95.9 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 55% | 0.549 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 174.6 | -64.3 | 166.6 | 0 | 0 | 0 | 110.4 | I274 P275 R276 L280 G281 T286 | I274-I278 HydrophobicContact CG2-CD1 3.93Å; I274-I278 WeakPolarHBondContact O-CG1 3.45Å; I274-I278 PolarHBondContact O-N 2.96Å; I274-I278 VanDerWaalsContact O-N 3.09Å; P275-I278 PolarHBondContact O-N 3.06Å; R276-I278 VanDerWaalsContact C-N 3.32Å; R276-I278 PolarHBondContact O-N 3.04Å; I278-L280 PolarHBondContact O-N 3.27Å; I278-G281 PolarHBondContact O-N 2.98Å; I278-T286 HydrophobicContact CD1-CG2 4.19Å; I278-T286 HydrophobicContact CG1-CG2 3.78Å |
| 279 | Q | 95.3 | Very high | 95.9 | Very high | 171 Ų | 171 | 59.6 Ų | 59.6 | 80% | 0.799 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -34.1 | 177.7 | -174.9 | -177.9 | 8.8 | 0 | 0 | 112.6 | P275 R276 G281 | P275-Q279 WeakPolarHBondContact O-CB 3.41Å; P275-Q279 PolarHBondContact O-N 3.1Å; R276-Q279 PolarHBondContact O-N 2.68Å; Q279-G281 VanDerWaalsContact C-N 3.31Å |
| 280 | L | 93.9 | Very high | 96 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 29% | 0.293 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -81.6 | -8.4 | 178.3 | -67.5 | 170.2 | 0 | 0 | 0 | 113.4 | L218 Y222 R276 S277 I278 E282 | L218-L280 HydrophobicContact CD2-CD1 4.38Å; Y222-L280 HydrophobicContact CD1-CD2 3.87Å; Y222-L280 HydrophobicContact CD2-CD1 3.73Å; Y222-L280 HydrophobicContact CD2-CD2 4.36Å; Y222-L280 HydrophobicContact CE1-CD2 3.99Å; Y222-L280 HydrophobicContact CE2-CB 4.21Å; Y222-L280 HydrophobicContact CE2-CD1 3.89Å; Y222-L280 HydrophobicContact CE2-CD2 4.46Å; Y222-L280 HydrophobicContact CE2-CG 4.42Å; Y222-L280 HydrophobicContact CG-CD1 4.14Å; Y222-L280 HydrophobicContact CG-CD2 4.05Å; Y222-L280 PolarHBondContact OH-O 3.41Å; R276-L280 HydrophobicContact CG-CD1 3.82Å; R276-L280 HydrophobicContact CG-CG 4.42Å; R276-L280 WeakPolarHBondContact O-CB 3.26Å; R276-L280 VanDerWaalsContact O-CG 3.22Å; R276-L280 WeakPolarHBondContact O-CG 3.44Å; R276-L280 PolarHBondContact O-N 3.06Å; S277-L280 PolarHBondContact O-N 3.12Å; I278-L280 PolarHBondContact O-N 3.27Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 HydrophobicContact CB-CG 4.29Å |
| 281 | G | 94.9 | Very high | 96 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 55% | 0.546 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 16.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S277 I278 Q279 I283 | S277-G281 PolarHBondContact O-N 3.3Å; S277-G281 VanDerWaalsContact O-N 3.1Å; I278-G281 PolarHBondContact O-N 2.98Å; Q279-G281 VanDerWaalsContact C-N 3.31Å; G281-I283 PolarHBondContact O-N 2.91Å |
| 282 | E | 95.4 | Very high | 96 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | -83.9 | 77 | -178.1 | -74.3 | -73.7 | 138.9 | 0 | 0 | 111.4 | Y217 L218 K221 Y222 S277 L280 V284 V285 T286 | Y217-E282 WeakPolarHBondContact CE1-OE2 3.4Å; Y217-E282 PolarHBondContact OH-OE2 3.22Å; L218-E282 HydrophobicContact CD2-CG 4.21Å; K221-E282 WeakPolarHBondContact CD-OE1 3.48Å; K221-E282 VanDerWaalsContact CE-OE1 3.22Å; K221-E282 WeakPolarHBondContact CE-OE1 3.24Å; K221-E282 IonicContact NZ-OE1 3.34Å; K221-E282 PolarHBondContact NZ-OE1 3.2Å; K221-E282 IonicContact NZ-OE2 3.06Å; Y222-E282 HydrophobicContact CE2-CG 3.81Å; Y222-E282 WeakPolarHBondContact OH-CG 3.33Å; Y222-E282 PolarHBondContact OH-OE1 2.85Å; S277-E282 PolarHBondContact O-N 2.96Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 HydrophobicContact CB-CG 4.29Å; E282-V284 VanDerWaalsContact C-N 3.34Å; E282-V284 PolarHBondContact O-N 3.36Å; E282-V285 HydrophobicContact CB-CB 3.88Å; E282-V285 HydrophobicContact CB-CG2 3.92Å; E282-V285 HydrophobicContact CG-CG2 4.43Å; E282-V285 PolarHBondContact O-N 3.15Å; E282-T286 PolarHBondContact O-N 2.94Å; E282-T286 PolarHBondContact O-OG1 2.82Å; E282-T286 VanDerWaalsContact O-OG1 3.12Å | ||
| 283 | I | 95.6 | Very high | 96.1 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 71% | 0.713 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.3 | -43.9 | -175.9 | -59.9 | 170.1 | 0 | 0 | 0 | 111.8 | G281 V285 T286 R287 | G281-I283 PolarHBondContact O-N 2.91Å; I283-V285 PolarHBondContact O-N 2.91Å; I283-T286 PolarHBondContact O-N 3.49Å; I283-R287 WeakPolarHBondContact O-CB 3.32Å; I283-R287 PolarHBondContact O-N 3.38Å |
| 284 | V | 96 | Very high | 96.1 | Very high | 60 Ų | 60 | 58.6 Ų | 58.6 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 179.2 | 179.3 | 0 | 0 | 0 | 0 | 110 | W241 F245 E282 T286 R287 E288 | W241-V284 HydrophobicContact CE3-CG1 4.33Å; W241-V284 HydrophobicContact CZ3-CG1 4.46Å; F245-V284 HydrophobicContact CE1-CG1 4.06Å; E282-V284 VanDerWaalsContact C-N 3.34Å; E282-V284 PolarHBondContact O-N 3.36Å; V284-T286 PolarHBondContact O-N 2.74Å; V284-R287 PolarHBondContact O-N 2.71Å; V284-E288 HydrophobicContact CG1-CG 4.28Å; V284-E288 WeakPolarHBondContact O-CG 3.4Å; V284-E288 PolarHBondContact O-N 3.12Å |
| 285 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | I214 Y217 L218 W241 E282 I283 R287 E288 L289 | I214-V285 HydrophobicContact CG2-CG1 3.54Å; Y217-V285 HydrophobicContact CD1-CG2 3.98Å; Y217-V285 HydrophobicContact CE1-CG2 3.6Å; L218-V285 HydrophobicContact CD1-CG1 4.47Å; L218-V285 HydrophobicContact CD2-CG2 4.42Å; W241-V285 HydrophobicContact CE3-CG2 4Å; W241-V285 HydrophobicContact CZ3-CG2 4.17Å; E282-V285 HydrophobicContact CB-CB 3.88Å; E282-V285 HydrophobicContact CB-CG2 3.92Å; E282-V285 HydrophobicContact CG-CG2 4.43Å; E282-V285 PolarHBondContact O-N 3.15Å; I283-V285 PolarHBondContact O-N 2.91Å; V285-R287 VanDerWaalsContact C-N 3.32Å; V285-R287 PolarHBondContact O-N 3.38Å; V285-E288 PolarHBondContact O-N 3.42Å; V285-L289 HydrophobicContact CG1-CD1 3.75Å; V285-L289 HydrophobicContact CG1-CG 4.2Å; V285-L289 WeakPolarHBondContact O-CB 3.49Å; V285-L289 VanDerWaalsContact O-CG 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 2.95Å |
| 286 | T | 97.3 | Very high | 96 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | S277 I278 E282 I283 V284 L289 D290 | S277-T286 WeakPolarHBondContact CB-OG1 3.42Å; S277-T286 PolarHBondContact OG-OG1 3.22Å; I278-T286 HydrophobicContact CD1-CG2 4.19Å; I278-T286 HydrophobicContact CG1-CG2 3.78Å; E282-T286 PolarHBondContact O-N 2.94Å; E282-T286 PolarHBondContact O-OG1 2.82Å; E282-T286 VanDerWaalsContact O-OG1 3.12Å; I283-T286 PolarHBondContact O-N 3.49Å; V284-T286 PolarHBondContact O-N 2.74Å; T286-L289 PolarHBondContact O-N 3.19Å; T286-D290 PolarHBondContact O-N 3.22Å |
| 287 | R | 97.2 | Very high | 96.1 | Very high | 144 Ų | 144 | 61.7 Ų | 61.7 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 179 | -173.9 | -173.8 | 69.2 | -164.7 | -1 | 112.2 | I283 V284 V285 L289 D290 W291 | I283-R287 WeakPolarHBondContact O-CB 3.32Å; I283-R287 PolarHBondContact O-N 3.38Å; V284-R287 PolarHBondContact O-N 2.71Å; V285-R287 VanDerWaalsContact C-N 3.32Å; V285-R287 PolarHBondContact O-N 3.38Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L289 PolarHBondContact O-N 3.4Å; R287-D290 PolarHBondContact O-N 2.87Å; R287-W291 WeakPolarHBondContact O-CB 3.34Å; R287-W291 PolarHBondContact O-N 2.78Å |
| 288 | E | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 179.8 | -67 | -43.2 | 128.2 | 0 | 0 | 112.1 | W241 F245 P246 T247 V284 V285 M292 | W241-E288 HydrophobicContact CH2-CB 3.82Å; W241-E288 HydrophobicContact CH2-CG 3.81Å; W241-E288 HydrophobicContact CZ3-CB 3.92Å; W241-E288 HydrophobicContact CZ3-CG 3.73Å; F245-E288 HydrophobicContact CB-CG 4.33Å; F245-E288 HydrophobicContact CD1-CG 4.08Å; P246-E288 WeakPolarHBondContact CD-OE2 3.1Å; P246-E288 HydrophobicContact CG-CB 4.03Å; T247-E288 WeakPolarHBondContact CB-OE2 3.24Å; T247-E288 WeakPolarHBondContact CG2-OE2 3.37Å; T247-E288 PolarHBondContact N-OE2 3.09Å; T247-E288 VanDerWaalsContact N-OE2 3.08Å; T247-E288 VanDerWaalsContact OG1-CD 3.28Å; T247-E288 PolarHBondContact OG1-OE1 3.49Å; T247-E288 PolarHBondContact OG1-OE2 3.24Å; V284-E288 HydrophobicContact CG1-CG 4.28Å; V284-E288 WeakPolarHBondContact O-CG 3.4Å; V284-E288 PolarHBondContact O-N 3.12Å; V285-E288 PolarHBondContact O-N 3.42Å; E288-M292 WeakPolarHBondContact O-CB 3.49Å; E288-M292 PolarHBondContact O-N 3.01Å |
| 289 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.4 | -73.5 | 173.4 | 0 | 0 | 0 | 112.4 | I214 I270 M273 I274 V285 T286 R287 M292 I293 | I214-L289 HydrophobicContact CD1-CD2 3.47Å; I214-L289 VanDerWaalsContact CD1-CD2 3.47Å; I214-L289 HydrophobicContact CD1-CG 4.07Å; I214-L289 HydrophobicContact CG2-CD2 4.26Å; I270-L289 HydrophobicContact CG1-CD2 4.18Å; I270-L289 HydrophobicContact CG2-CB 4.08Å; I270-L289 HydrophobicContact CG2-CD2 4.02Å; M273-L289 HydrophobicContact CB-CD1 3.85Å; M273-L289 HydrophobicContact CE-CD2 3.7Å; I274-L289 HydrophobicContact CD1-CB 4.37Å; I274-L289 HydrophobicContact CG1-CB 3.89Å; I274-L289 HydrophobicContact CG1-CD1 4.04Å; V285-L289 HydrophobicContact CG1-CD1 3.75Å; V285-L289 HydrophobicContact CG1-CG 4.2Å; V285-L289 WeakPolarHBondContact O-CB 3.49Å; V285-L289 VanDerWaalsContact O-CG 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 2.95Å; T286-L289 PolarHBondContact O-N 3.19Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L289 PolarHBondContact O-N 3.4Å; L289-M292 WeakPolarHBondContact O-CB 3.41Å; L289-M292 PolarHBondContact O-N 3.16Å; L289-I293 PolarHBondContact O-N 3.06Å; L289-I293 VanDerWaalsContact O-N 3.13Å |
| 290 | D | 96.7 | Very high | 96.2 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.6 | -175.5 | 45.5 | 0 | 0 | 0 | 111.2 | T286 R287 M292 I293 Q294 | T286-D290 PolarHBondContact O-N 3.22Å; R287-D290 PolarHBondContact O-N 2.87Å; D290-M292 VanDerWaalsContact C-N 3.27Å; D290-M292 PolarHBondContact O-N 2.93Å; D290-I293 PolarHBondContact O-N 3.41Å; D290-I293 VanDerWaalsContact O-N 3.15Å; D290-Q294 WeakPolarHBondContact O-CG 3.47Å; D290-Q294 PolarHBondContact O-N 2.99Å; D290-Q294 VanDerWaalsContact O-N 3.13Å; D290-Q294 PolarHBondContact OD1-NE2 2.89Å; D290-Q294 PolarHBondContact OD2-NE2 3.16Å |
| 291 | W | 96.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.8 | -172.9 | 94.6 | 0 | 0 | 0 | 112 | P246 T247 F249 H250 R287 I293 Q294 N295 F297 | P246-W291 HydrophobicContact CB-CD2 4.4Å; P246-W291 HydrophobicContact CB-CE3 3.37Å; P246-W291 HydrophobicContact CB-CZ3 3.58Å; P246-W291 WeakPolarHBondContact O-CH2 3.33Å; P246-W291 WeakPolarHBondContact O-CZ3 3.46Å; T247-W291 HydrophobicContact CG2-CB 4.11Å; T247-W291 HydrophobicContact CG2-CD2 3.83Å; T247-W291 HydrophobicContact CG2-CG 3.58Å; F249-W291 HydrophobicContact CB-CH2 4.01Å; H250-W291 AromaticContact CD2-CZ2 3.88Å; H250-W291 AromaticContact NE2-CZ2 3.47Å; H250-W291 WeakPolarHBondContact NE2-CZ2 3.31Å; H250-W291 AromaticContact NE2-NE1 4Å; R287-W291 WeakPolarHBondContact O-CB 3.34Å; R287-W291 PolarHBondContact O-N 2.78Å; W291-I293 PolarHBondContact O-N 2.62Å; W291-Q294 PolarHBondContact O-N 3.12Å; W291-N295 VanDerWaalsContact CD2-ND2 3.3Å; W291-N295 HydrophobicContact CE3-CB 4.32Å; W291-N295 HydrophobicContact CH2-CB 4.1Å; W291-N295 HydrophobicContact CZ2-CB 4.33Å; W291-N295 HydrophobicContact CZ3-CB 4.08Å; W291-N295 PolarHBondContact NE1-ND2 2.91Å; W291-N295 PolarHBondContact O-N 3.18Å; W291-N295 PolarHBondContact O-ND2 2.89Å; W291-F297 AromaticContact CH2-CE1 3.9Å; W291-F297 HydrophobicContact CH2-CE1 3.9Å; W291-F297 HydrophobicContact CH2-CE2 4.21Å; W291-F297 AromaticContact CH2-CZ 3.46Å; W291-F297 HydrophobicContact CH2-CZ 3.46Å; W291-F297 VanDerWaalsContact CH2-CZ 3.46Å; W291-F297 HydrophobicContact CZ3-CE1 4.34Å; W291-F297 HydrophobicContact CZ3-CE2 4.38Å; W291-F297 AromaticContact CZ3-CZ 3.97Å; W291-F297 HydrophobicContact CZ3-CZ 3.97Å |
| 292 | M | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.5 | -169.7 | -174.6 | -68.5 | 0 | 0 | 112.1 | A209 P211 I214 P246 L262 I270 E288 L289 D290 K296 F297 | A209-M292 WeakPolarHBondContact O-CE 3.35Å; P211-M292 HydrophobicContact CG-SD 3.75Å; I214-M292 HydrophobicContact CD1-CE 3.91Å; P246-M292 HydrophobicContact CB-CB 4.46Å; P246-M292 HydrophobicContact CB-CE 4.22Å; P246-M292 HydrophobicContact CG-CE 3.39Å; L262-M292 HydrophobicContact CD1-CG 4Å; L262-M292 WeakPolarHBondContact CD1-O 3.44Å; L262-M292 HydrophobicContact CD2-CG 4.16Å; L262-M292 HydrophobicContact CD2-SD 4.08Å; I270-M292 HydrophobicContact CD1-CG 4.26Å; I270-M292 HydrophobicContact CD1-SD 3.82Å; I270-M292 HydrophobicContact CG1-SD 4.45Å; E288-M292 WeakPolarHBondContact O-CB 3.49Å; E288-M292 PolarHBondContact O-N 3.01Å; L289-M292 WeakPolarHBondContact O-CB 3.41Å; L289-M292 PolarHBondContact O-N 3.16Å; D290-M292 VanDerWaalsContact C-N 3.27Å; D290-M292 PolarHBondContact O-N 2.93Å; M292-K296 WeakPolarHBondContact O-CA 3.35Å; M292-K296 PolarHBondContact O-N 2.98Å; M292-F297 WeakPolarHBondContact CG-O 3.49Å |
| 293 | I | 95.8 | Very high | 96 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 27% | 0.272 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 174.6 | -70.1 | 176.2 | 0 | 0 | 0 | 111.3 | I270 I274 L289 D290 W291 K296 | I270-I293 HydrophobicContact CD1-CG1 4.27Å; I270-I293 HydrophobicContact CG2-CD1 3.58Å; I270-I293 HydrophobicContact CG2-CG1 3.72Å; I274-I293 HydrophobicContact CD1-CD1 3.6Å; L289-I293 PolarHBondContact O-N 3.06Å; L289-I293 VanDerWaalsContact O-N 3.13Å; D290-I293 PolarHBondContact O-N 3.41Å; D290-I293 VanDerWaalsContact O-N 3.15Å; W291-I293 PolarHBondContact O-N 2.62Å; I293-K296 WeakPolarHBondContact O-CG 3.35Å |
| 294 | Q | 95.7 | Very high | 95.8 | Very high | 126 Ų | 126 | 43.2 Ų | 43.2 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.3 | -41.1 | -176.5 | -67.1 | 174 | 25.9 | 0 | 0 | 111.6 | D290 W291 | D290-Q294 WeakPolarHBondContact O-CG 3.47Å; D290-Q294 PolarHBondContact O-N 2.99Å; D290-Q294 VanDerWaalsContact O-N 3.13Å; D290-Q294 PolarHBondContact OD1-NE2 2.89Å; D290-Q294 PolarHBondContact OD2-NE2 3.16Å; W291-Q294 PolarHBondContact O-N 3.12Å |
| 295 | N | 95.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -90.1 | -17.7 | -176 | -68.9 | -84.1 | 0 | 0 | 0 | 113.7 | W291 F297 | W291-N295 VanDerWaalsContact CD2-ND2 3.3Å; W291-N295 HydrophobicContact CE3-CB 4.32Å; W291-N295 HydrophobicContact CH2-CB 4.1Å; W291-N295 HydrophobicContact CZ2-CB 4.33Å; W291-N295 HydrophobicContact CZ3-CB 4.08Å; W291-N295 PolarHBondContact NE1-ND2 2.91Å; W291-N295 PolarHBondContact O-N 3.18Å; W291-N295 PolarHBondContact O-ND2 2.89Å; N295-F297 VanDerWaalsContact C-N 3.27Å; N295-F297 HydrophobicContact CB-CD1 3.87Å; N295-F297 HydrophobicContact CB-CE1 3.68Å; N295-F297 WeakPolarHBondContact O-CD1 3.31Å; N295-F297 PolarHBondContact O-N 3.38Å |
| 296 | K | 96.1 | Very high | 94.8 | Very high | 132 Ų | 132 | 46.8 Ų | 46.8 | 57% | 0.574 | 22% | 0.218 | S | C | * | . | trans | 59.5 | 27.7 | 172.5 | -55.8 | -180 | -177.9 | 174.3 | 0 | 115.4 | L262 F267 M292 I293 | L262-K296 PolarHBondContact N-O 2.94Å; F267-K296 HydrophobicContact CZ-CG 4.29Å; M292-K296 WeakPolarHBondContact O-CA 3.35Å; M292-K296 PolarHBondContact O-N 2.98Å; I293-K296 WeakPolarHBondContact O-CG 3.35Å | ||
| 297 | F | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 166.2 | 170.1 | 72.8 | -94.8 | 0 | 0 | 0 | 112 | F249 C259 L260 W291 M292 N295 M299 | F249-F297 HydrophobicContact CB-CE2 4.16Å; F249-F297 HydrophobicContact CB-CZ 3.88Å; F249-F297 HydrophobicContact CD1-CE1 4.46Å; F249-F297 AromaticContact CD1-CZ 3.72Å; F249-F297 HydrophobicContact CD1-CZ 3.72Å; F249-F297 AromaticContact CD2-CE2 3.97Å; F249-F297 HydrophobicContact CD2-CE2 3.97Å; F249-F297 AromaticContact CD2-CZ 3.81Å; F249-F297 HydrophobicContact CD2-CZ 3.81Å; F249-F297 HydrophobicContact CE1-CZ 4.19Å; F249-F297 HydrophobicContact CE2-CZ 4.29Å; F249-F297 AromaticContact CG-CE2 4Å; F249-F297 HydrophobicContact CG-CE2 4Å; F249-F297 AromaticContact CG-CZ 3.5Å; F249-F297 HydrophobicContact CG-CZ 3.5Å; F249-F297 HydrophobicContact CZ-CZ 4.46Å; C259-F297 HydrophobicContact CB-CB 4.4Å; C259-F297 HydrophobicContact CB-CD2 3.82Å; C259-F297 HydrophobicContact CB-CE2 4.29Å; C259-F297 HydrophobicContact CB-CG 4.17Å; L260-F297 CarbonylContact O-C 3.52Å; L260-F297 WeakPolarHBondContact O-CA 3.47Å; L260-F297 VanDerWaalsContact O-CB 3.31Å; L260-F297 WeakPolarHBondContact O-CB 3.46Å; W291-F297 AromaticContact CH2-CE1 3.9Å; W291-F297 HydrophobicContact CH2-CE1 3.9Å; W291-F297 HydrophobicContact CH2-CE2 4.21Å; W291-F297 AromaticContact CH2-CZ 3.46Å; W291-F297 HydrophobicContact CH2-CZ 3.46Å; W291-F297 VanDerWaalsContact CH2-CZ 3.46Å; W291-F297 HydrophobicContact CZ3-CE1 4.34Å; W291-F297 HydrophobicContact CZ3-CE2 4.38Å; W291-F297 AromaticContact CZ3-CZ 3.97Å; W291-F297 HydrophobicContact CZ3-CZ 3.97Å; M292-F297 WeakPolarHBondContact CG-O 3.49Å; N295-F297 VanDerWaalsContact C-N 3.27Å; N295-F297 HydrophobicContact CB-CD1 3.87Å; N295-F297 HydrophobicContact CB-CE1 3.68Å; N295-F297 WeakPolarHBondContact O-CD1 3.31Å; N295-F297 PolarHBondContact O-N 3.38Å; F297-M299 HydrophobicContact CD2-CG 4.03Å; F297-M299 HydrophobicContact CE2-CE 4.39Å; F297-M299 HydrophobicContact CE2-CG 3.86Å; F297-M299 HydrophobicContact CE2-SD 3.89Å |
| 298 | K | 96.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 161.3 | 175.7 | 59.7 | 179.8 | 172.9 | -171 | 0 | 110.1 | A209 D210 L260 L262 D266 | A209-K298 WeakPolarHBondContact O-CA 3.14Å; A209-K298 WeakPolarHBondContact O-CB 3.27Å; D210-K298 HydrophobicContact CB-CB 3.69Å; D210-K298 HydrophobicContact CB-CD 3.65Å; D210-K298 HydrophobicContact CB-CG 4.19Å; L260-K298 HydrophobicContact CB-CG 3.92Å; L260-K298 PolarHBondContact N-O 2.9Å; L260-K298 WeakPolarHBondContact O-CG 3.22Å; L260-K298 PolarHBondContact O-N 3.32Å; L262-K298 HydrophobicContact CD2-CB 3.88Å; L262-K298 HydrophobicContact CD2-CD 4.17Å; L262-K298 HydrophobicContact CD2-CG 4.11Å; D266-K298 IonicContact OD1-NZ 2.97Å; D266-K298 PolarHBondContact OD1-NZ 2.9Å; D266-K298 WeakPolarHBondContact OD2-CE 3.24Å; D266-K298 IonicContact OD2-NZ 2.74Å; D266-K298 PolarHBondContact OD2-NZ 2.8Å |
| 299 | M | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 142.4 | 179.3 | -54.8 | 175.6 | -67.1 | 0 | 0 | 110.6 | A209 L244 P246 F249 I254 F297 | A209-M299 CarbonylContact C-O 3.55Å; A209-M299 WeakPolarHBondContact CA-O 3.34Å; A209-M299 HydrophobicContact CB-CB 4.21Å; A209-M299 HydrophobicContact CB-CE 4.12Å; A209-M299 PolarHBondContact N-O 2.83Å; A209-M299 PolarHBondContact O-N 2.97Å; A209-M299 VanDerWaalsContact O-N 3.12Å; L244-M299 HydrophobicContact CD2-CB 4.02Å; L244-M299 HydrophobicContact CD2-CE 4.16Å; L244-M299 HydrophobicContact CG-CE 4.41Å; P246-M299 WeakPolarHBondContact O-CE 3.15Å; F249-M299 HydrophobicContact CB-CE 3.84Å; F249-M299 HydrophobicContact CB-SD 3.93Å; F249-M299 HydrophobicContact CD2-SD 3.9Å; F249-M299 HydrophobicContact CG-SD 4.39Å; I254-M299 HydrophobicContact CD1-CE 4.2Å; I254-M299 HydrophobicContact CD1-SD 3.45Å; I254-M299 WeakPolarHBondContact CD1-SD 3.43Å; I254-M299 HydrophobicContact CG2-SD 4.27Å; F297-M299 HydrophobicContact CD2-CG 4.03Å; F297-M299 HydrophobicContact CE2-CE 4.39Å; F297-M299 HydrophobicContact CE2-CG 3.86Å; F297-M299 HydrophobicContact CE2-SD 3.89Å |
| 300 | E | 95.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -87.1 | 156.6 | 171 | -56.7 | -169.6 | -170.4 | 0 | 0 | 110.3 | K156 L260 E302 S303 | K156-E300 IonicContact NZ-OE2 3.65Å; K156-E300 PolarHBondContact NZ-OE2 2.94Å; L260-E300 HydrophobicContact CD1-CG 4.36Å; E300-E302 WeakPolarHBondContact CB-OE2 3.46Å; E300-E302 PolarHBondContact O-N 3.38Å; E300-S303 VanDerWaalsContact O-CB 3.24Å; E300-S303 WeakPolarHBondContact O-CB 3.37Å; E300-S303 PolarHBondContact O-N 2.82Å; E300-S303 PolarHBondContact O-OG 2.69Å | ||
| 301 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.8 | 174.4 | -78.5 | 168.1 | 0 | 0 | 0 | 112.5 | E155 T159 L206 D208 L244 S303 I304 M312 | E155-L301 HydrophobicContact CB-CD1 4.46Å; T159-L301 HydrophobicContact CG2-CD1 4.3Å; L206-L301 HydrophobicContact CD1-CD2 3.94Å; L206-L301 HydrophobicContact CD2-CD1 4.49Å; L206-L301 HydrophobicContact CD2-CD2 3.88Å; L206-L301 HydrophobicContact CG-CD1 4.2Å; L206-L301 HydrophobicContact CG-CD2 3.57Å; D208-L301 WeakPolarHBondContact OD1-CB 3.46Å; D208-L301 VanDerWaalsContact OD1-CG 3.23Å; D208-L301 WeakPolarHBondContact OD1-CG 3.36Å; D208-L301 PolarHBondContact OD1-N 2.99Å; L244-L301 HydrophobicContact CB-CD2 3.78Å; L301-S303 PolarHBondContact O-N 3.09Å; L301-S303 VanDerWaalsContact O-N 3.15Å; L301-I304 PolarHBondContact O-N 3.27Å; L301-I304 VanDerWaalsContact O-N 3.15Å; L301-M312 HydrophobicContact CB-CE 3.98Å; L301-M312 HydrophobicContact CD2-CE 4.25Å; L301-M312 WeakPolarHBondContact O-CE 3.17Å |
| 302 | E | 92.6 | Very high | 92.5 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -22.9 | 174.9 | -70.4 | 85.1 | 170.9 | 0 | 0 | 113.5 | K156 T158 E300 I304 N305 M306 | K156-E302 VanDerWaalsContact CD-OE1 3.24Å; K156-E302 WeakPolarHBondContact CD-OE1 3.44Å; K156-E302 IonicContact NZ-OE1 3.84Å; K156-E302 IonicContact NZ-OE2 2.67Å; K156-E302 PolarHBondContact NZ-OE2 2.64Å; T158-E302 PolarHBondContact OG1-OE1 2.92Å; E300-E302 WeakPolarHBondContact CB-OE2 3.46Å; E300-E302 PolarHBondContact O-N 3.38Å; E302-I304 VanDerWaalsContact C-N 3.29Å; E302-I304 PolarHBondContact O-N 3.18Å; E302-N305 VanDerWaalsContact O-CB 3.31Å; E302-N305 WeakPolarHBondContact O-CB 3.16Å; E302-N305 PolarHBondContact O-N 3.08Å; E302-N305 VanDerWaalsContact O-N 3.16Å; E302-M306 WeakPolarHBondContact O-CG 3.2Å; E302-M306 PolarHBondContact O-N 3.48Å |
| 303 | S | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | E300 L301 M306 | E300-S303 VanDerWaalsContact O-CB 3.24Å; E300-S303 WeakPolarHBondContact O-CB 3.37Å; E300-S303 PolarHBondContact O-N 2.82Å; E300-S303 PolarHBondContact O-OG 2.69Å; L301-S303 PolarHBondContact O-N 3.09Å; L301-S303 VanDerWaalsContact O-N 3.15Å; S303-M306 PolarHBondContact O-N 2.96Å |
| 304 | I | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.4 | -34.5 | 177.4 | -59.3 | -59.1 | 0 | 0 | 0 | 111.1 | L244 F252 I254 L301 E302 M306 C307 Y311 M312 L316 | L244-I304 HydrophobicContact CD1-CD1 3.8Å; L244-I304 HydrophobicContact CD1-CG1 3.82Å; L244-I304 HydrophobicContact CD2-CG1 4.17Å; F252-I304 HydrophobicContact CB-CD1 3.97Å; F252-I304 HydrophobicContact CD2-CD1 3.56Å; F252-I304 HydrophobicContact CE2-CD1 4.17Å; F252-I304 HydrophobicContact CG-CD1 3.78Å; I254-I304 HydrophobicContact CD1-CD1 3.74Å; I254-I304 HydrophobicContact CG1-CD1 4.11Å; L301-I304 PolarHBondContact O-N 3.27Å; L301-I304 VanDerWaalsContact O-N 3.15Å; E302-I304 VanDerWaalsContact C-N 3.29Å; E302-I304 PolarHBondContact O-N 3.18Å; I304-M306 PolarHBondContact O-N 3.3Å; I304-C307 WeakPolarHBondContact O-CB 3.34Å; I304-C307 PolarHBondContact O-N 2.71Å; I304-Y311 HydrophobicContact CG2-CD1 3.87Å; I304-M312 HydrophobicContact CB-CE 4.23Å; I304-M312 HydrophobicContact CG2-CB 3.91Å; I304-M312 HydrophobicContact CG2-CG 4.37Å; I304-L316 HydrophobicContact CG1-CD2 4.36Å; I304-L316 HydrophobicContact CG2-CD2 4.44Å |
| 305 | N | 87.1 | Confident | 92 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -18.9 | 177.3 | -79.9 | -23.8 | 0 | 0 | 0 | 113 | K162 E302 M312 | K162-N305 HydrophobicContact CD-CB 3.93Å; K162-N305 VanDerWaalsContact CE-OD1 3.27Å; K162-N305 WeakPolarHBondContact CE-OD1 3.23Å; K162-N305 VanDerWaalsContact NZ-CB 3.32Å; K162-N305 PolarHBondContact NZ-O 3.2Å; E302-N305 VanDerWaalsContact O-CB 3.31Å; E302-N305 WeakPolarHBondContact O-CB 3.16Å; E302-N305 PolarHBondContact O-N 3.08Å; E302-N305 VanDerWaalsContact O-N 3.16Å; N305-M312 WeakPolarHBondContact ND2-CE 3.35Å; N305-M312 WeakPolarHBondContact OD1-CE 3.4Å |
| 306 | M | 85.6 | Confident | 91.9 | Very high | 127 Ų | 127 | 48 Ų | 48 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.2 | 174.3 | -64.4 | -65.6 | 108.2 | 0 | 0 | 113 | E302 S303 I304 G308 | E302-M306 WeakPolarHBondContact O-CG 3.2Å; E302-M306 PolarHBondContact O-N 3.48Å; S303-M306 PolarHBondContact O-N 2.96Å; I304-M306 PolarHBondContact O-N 3.3Å; M306-G308 VanDerWaalsContact C-N 3.27Å; M306-G308 PolarHBondContact O-N 2.98Å |
| 307 | C | 85.1 | Confident | 91.8 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 22% | 0.223 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -71.6 | -20.8 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 113 | T253 I304 Y311 | T253-C307 PolarHBondContact O-SG 3.25Å; I304-C307 WeakPolarHBondContact O-CB 3.34Å; I304-C307 PolarHBondContact O-N 2.71Å; C307-Y311 HydrophobicContact CB-CD1 3.48Å; C307-Y311 VanDerWaalsContact CB-CD1 3.48Å; C307-Y311 HydrophobicContact CB-CD2 4.09Å; C307-Y311 HydrophobicContact CB-CE1 3.58Å; C307-Y311 HydrophobicContact CB-CE2 4.2Å; C307-Y311 HydrophobicContact CB-CG 3.74Å |
| 308 | G | 86.8 | Confident | 91.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | 160.9 | 172.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M306 Y311 | M306-G308 VanDerWaalsContact C-N 3.27Å; M306-G308 PolarHBondContact O-N 2.98Å; G308-Y311 WeakPolarHBondContact O-CB 3.38Å | ||
| 309 | Q | 86.6 | Confident | 91.5 | Very high | 156 Ų | 156 | 42.3 Ų | 42.3 | 73% | 0.729 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 137.9 | 172.8 | -176.7 | 176.7 | -0.5 | 0 | 0 | 110.5 | Y311 | Q309-Y311 PolarHBondContact O-N 3.16Š|
| 310 | E | 90 | Very high | 91.4 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 10 | -179 | -68.1 | 170 | -143 | 0 | 0 | 114.2 | E166 M171 M312 A313 R314 | E166-E310 HydrophobicContact CB-CG 3.96Å; E166-E310 VanDerWaalsContact CD-N 3.26Å; E166-E310 HydrophobicContact CG-CG 4.28Å; E166-E310 PolarHBondContact OE1-N 3.43Å; E166-E310 VanDerWaalsContact OE2-CA 3.27Å; E166-E310 WeakPolarHBondContact OE2-CA 3.49Å; E166-E310 PolarHBondContact OE2-N 3.32Å; M171-E310 HydrophobicContact CE-CB 4.37Å; E310-M312 VanDerWaalsContact C-N 3.34Å; E310-M312 PolarHBondContact O-N 3.2Å; E310-A313 PolarHBondContact O-N 3.26Å; E310-R314 HydrophobicContact CB-CG 4.18Å; E310-R314 WeakPolarHBondContact O-CB 3.14Å; E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.15Å; E310-R314 IonicContact OE2-CZ 2.82Å; E310-R314 IonicContact OE2-NE 2.69Å; E310-R314 PolarHBondContact OE2-NE 2.9Å; E310-R314 IonicContact OE2-NH2 3.77Å; E310-R314 PolarHBondContact OE2-NH2 3.17Å |
| 311 | Y | 91.6 | Very high | 91 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | -168.9 | -166 | -88.2 | 0 | 0 | 0 | 111.6 | F252 I304 C307 G308 Q309 F315 | F252-Y311 AromaticContact CD1-CE1 3.55Å; F252-Y311 HydrophobicContact CD1-CE1 3.55Å; F252-Y311 HydrophobicContact CE1-CE1 4.07Å; F252-Y311 HydrophobicContact CG-CE1 4.39Å; I304-Y311 HydrophobicContact CG2-CD1 3.87Å; C307-Y311 HydrophobicContact CB-CD1 3.48Å; C307-Y311 VanDerWaalsContact CB-CD1 3.48Å; C307-Y311 HydrophobicContact CB-CD2 4.09Å; C307-Y311 HydrophobicContact CB-CE1 3.58Å; C307-Y311 HydrophobicContact CB-CE2 4.2Å; C307-Y311 HydrophobicContact CB-CG 3.74Å; G308-Y311 WeakPolarHBondContact O-CB 3.38Å; Q309-Y311 PolarHBondContact O-N 3.16Å; Y311-F315 HydrophobicContact CD1-CB 4.46Å; Y311-F315 HydrophobicContact CD1-CD2 4.2Å; Y311-F315 AromaticContact CD2-CD2 3.37Å; Y311-F315 HydrophobicContact CD2-CD2 3.37Å; Y311-F315 AromaticContact CD2-CE2 3.6Å; Y311-F315 HydrophobicContact CD2-CE2 3.6Å; Y311-F315 HydrophobicContact CD2-CG 4.38Å; Y311-F315 HydrophobicContact CE1-CB 4.27Å; Y311-F315 HydrophobicContact CE1-CD2 4.35Å; Y311-F315 AromaticContact CE2-CD2 3.53Å; Y311-F315 HydrophobicContact CE2-CD2 3.53Å; Y311-F315 AromaticContact CE2-CE2 3.78Å; Y311-F315 HydrophobicContact CE2-CE2 3.78Å; Y311-F315 HydrophobicContact CE2-CG 4.19Å; Y311-F315 AromaticContact CG-CD2 3.72Å; Y311-F315 HydrophobicContact CG-CD2 3.72Å; Y311-F315 HydrophobicContact CG-CE2 4.33Å; Y311-F315 WeakPolarHBondContact O-CB 3.18Å; Y311-F315 PolarHBondContact O-N 2.93Å |
| 312 | M | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -61.1 | -49 | 173.8 | -175.4 | -179.2 | -73.2 | 0 | 0 | 111.6 | T159 L163 L206 L301 I304 N305 E310 L316 I317 | T159-M312 HydrophobicContact CG2-CE 4Å; T159-M312 HydrophobicContact CG2-SD 3.63Å; L163-M312 HydrophobicContact CD1-SD 4.42Å; L163-M312 HydrophobicContact CD2-CG 4.42Å; L163-M312 HydrophobicContact CD2-SD 4.16Å; L163-M312 HydrophobicContact CG-SD 4.4Å; L206-M312 HydrophobicContact CD2-CG 4.28Å; L206-M312 HydrophobicContact CD2-SD 3.78Å; L301-M312 HydrophobicContact CB-CE 3.98Å; L301-M312 HydrophobicContact CD2-CE 4.25Å; L301-M312 WeakPolarHBondContact O-CE 3.17Å; I304-M312 HydrophobicContact CB-CE 4.23Å; I304-M312 HydrophobicContact CG2-CB 3.91Å; I304-M312 HydrophobicContact CG2-CG 4.37Å; N305-M312 WeakPolarHBondContact ND2-CE 3.35Å; N305-M312 WeakPolarHBondContact OD1-CE 3.4Å; E310-M312 VanDerWaalsContact C-N 3.34Å; E310-M312 PolarHBondContact O-N 3.2Å; M312-L316 HydrophobicContact CG-CD2 4.07Å; M312-L316 WeakPolarHBondContact O-CA 3.47Å; M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.25Å; M312-L316 VanDerWaalsContact O-N 3.15Å; M312-I317 HydrophobicContact CG-CD1 3.93Å; M312-I317 HydrophobicContact CG-CG1 4.37Å; M312-I317 PolarHBondContact O-N 3.35Å; M312-I317 HydrophobicContact SD-CD1 4.49Å |
| 313 | A | 93.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -63.7 | -46.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L163 M171 F172 E310 A318 | L163-A313 HydrophobicContact CD2-CB 4.19Å; M171-A313 HydrophobicContact CE-CB 3.67Å; M171-A313 VanDerWaalsContact SD-C 3.58Å; M171-A313 HydrophobicContact SD-CB 3.52Å; M171-A313 VanDerWaalsContact SD-CB 3.52Å; F172-A313 HydrophobicContact CE2-CB 4.26Å; E310-A313 PolarHBondContact O-N 3.26Å; A313-A318 WeakPolarHBondContact O-CB 3.36Å; A313-A318 PolarHBondContact O-N 3.03Å |
| 314 | R | 92.2 | Very high | 87.3 | Confident | 138 Ų | 138 | 47 Ų | 47 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -76.9 | -41.7 | -173.9 | -66.3 | -178.2 | 177.9 | -152 | 0.3 | 114.6 | M171 E310 P319 | M171-R314 HydrophobicContact CE-CG 3.41Å; M171-R314 VanDerWaalsContact CE-CG 3.41Å; M171-R314 HydrophobicContact SD-CG 3.97Å; E310-R314 HydrophobicContact CB-CG 4.18Å; E310-R314 WeakPolarHBondContact O-CB 3.14Å; E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.15Å; E310-R314 IonicContact OE2-CZ 2.82Å; E310-R314 IonicContact OE2-NE 2.69Å; E310-R314 PolarHBondContact OE2-NE 2.9Å; E310-R314 IonicContact OE2-NH2 3.77Å; E310-R314 PolarHBondContact OE2-NH2 3.17Å; R314-P319 WeakPolarHBondContact O-CD 3.49Å |
| 315 | F | 92.1 | Very high | 85.2 | Confident | 109 Ų | 109 | 51.4 Ų | 51.4 | 48% | 0.478 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -109.3 | -23.1 | -168.7 | -59.8 | -76.2 | 0 | 0 | 0 | 113.6 | F252 Y311 | F252-F315 HydrophobicContact CE1-CB 4.1Å; Y311-F315 HydrophobicContact CD1-CB 4.46Å; Y311-F315 HydrophobicContact CD1-CD2 4.2Å; Y311-F315 AromaticContact CD2-CD2 3.37Å; Y311-F315 HydrophobicContact CD2-CD2 3.37Å; Y311-F315 AromaticContact CD2-CE2 3.6Å; Y311-F315 HydrophobicContact CD2-CE2 3.6Å; Y311-F315 HydrophobicContact CD2-CG 4.38Å; Y311-F315 HydrophobicContact CE1-CB 4.27Å; Y311-F315 HydrophobicContact CE1-CD2 4.35Å; Y311-F315 AromaticContact CE2-CD2 3.53Å; Y311-F315 HydrophobicContact CE2-CD2 3.53Å; Y311-F315 AromaticContact CE2-CE2 3.78Å; Y311-F315 HydrophobicContact CE2-CE2 3.78Å; Y311-F315 HydrophobicContact CE2-CG 4.19Å; Y311-F315 AromaticContact CG-CD2 3.72Å; Y311-F315 HydrophobicContact CG-CD2 3.72Å; Y311-F315 HydrophobicContact CG-CE2 4.33Å; Y311-F315 WeakPolarHBondContact O-CB 3.18Å; Y311-F315 PolarHBondContact O-N 2.93Å |
| 316 | L | 93.8 | Very high | 83.2 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -97.4 | -55.2 | 175.8 | -177.6 | 67.8 | 0 | 0 | 0 | 111.5 | L206 F252 I304 M312 R320 | L206-L316 HydrophobicContact CD1-CD2 3.66Å; L206-L316 HydrophobicContact CD1-CG 4.22Å; L206-L316 HydrophobicContact CD2-CD2 4.43Å; F252-L316 HydrophobicContact CE2-CD1 3.71Å; F252-L316 HydrophobicContact CZ-CB 4.08Å; F252-L316 HydrophobicContact CZ-CD1 3.7Å; I304-L316 HydrophobicContact CG1-CD2 4.36Å; I304-L316 HydrophobicContact CG2-CD2 4.44Å; M312-L316 HydrophobicContact CG-CD2 4.07Å; M312-L316 WeakPolarHBondContact O-CA 3.47Å; M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.25Å; M312-L316 VanDerWaalsContact O-N 3.15Å; L316-R320 WeakPolarHBondContact O-CD 3.16Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.48Å |
| 317 | I | 94.9 | Very high | 81 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -79 | -58.1 | -171.4 | -62.6 | 164.6 | 0 | 0 | 0 | 111.3 | L152 L163 F172 L206 M312 R320 V321 | L152-I317 HydrophobicContact CD2-CD1 3.65Å; L152-I317 HydrophobicContact CD2-CG1 4.18Å; L152-I317 HydrophobicContact CD2-CG2 3.96Å; L163-I317 HydrophobicContact CD1-CD1 4.08Å; L163-I317 HydrophobicContact CD2-CD1 3.93Å; F172-I317 HydrophobicContact CE1-CG2 4.36Å; F172-I317 HydrophobicContact CE2-CG2 4.1Å; F172-I317 HydrophobicContact CZ-CB 4.26Å; F172-I317 HydrophobicContact CZ-CG2 3.72Å; L206-I317 HydrophobicContact CD2-CD1 4.12Å; L206-I317 HydrophobicContact CD2-CG1 4.22Å; M312-I317 HydrophobicContact CG-CD1 3.93Å; M312-I317 HydrophobicContact CG-CG1 4.37Å; M312-I317 PolarHBondContact O-N 3.35Å; M312-I317 HydrophobicContact SD-CD1 4.49Å; I317-R320 PolarHBondContact O-N 3.49Å; I317-R320 VanDerWaalsContact O-N 3.08Å; I317-V321 HydrophobicContact CG2-CG2 3.89Å; I317-V321 WeakPolarHBondContact O-CG2 3.4Å; I317-V321 PolarHBondContact O-N 3.47Å |
| 318 | A | 93.5 | Very high | 78.9 | Confident | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.1 | -47.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F172 A313 R320 M322 | F172-A318 HydrophobicContact CE1-CB 3.95Å; F172-A318 HydrophobicContact CZ-CB 3.74Å; A313-A318 WeakPolarHBondContact O-CB 3.36Å; A313-A318 PolarHBondContact O-N 3.03Å; A318-R320 VanDerWaalsContact C-N 3.27Å; A318-R320 PolarHBondContact O-N 3.13Å; A318-M322 HydrophobicContact CB-CE 4.37Å; A318-M322 VanDerWaalsContact O-CB 3.29Å; A318-M322 WeakPolarHBondContact O-CB 3.43Å; A318-M322 WeakPolarHBondContact O-CG 3.47Å; A318-M322 PolarHBondContact O-N 3.34Å |
| 319 | P | 92.7 | Very high | 76.3 | Confident | 63 Ų | 63 | 69 Ų | 69 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -30 | -177.8 | -22 | 36.3 | 0 | 0 | 0 | 112.9 | R314 S323 | R314-P319 WeakPolarHBondContact O-CD 3.49Å; P319-S323 WeakPolarHBondContact O-CB 3.42Å; P319-S323 PolarHBondContact O-N 3.15Å; P319-S323 PolarHBondContact O-OG 2.9Å |
| 320 | R | 92.4 | Very high | 74 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -83.4 | -39.7 | -176.8 | -66 | -178.1 | -169.6 | -166.6 | -2.3 | 112.1 | I242 D248 L316 I317 A318 S323 I324 | I242-R320 HydrophobicContact CB-CB 4.29Å; I242-R320 WeakPolarHBondContact O-CD 3.48Å; I242-R320 PolarHBondContact O-NH1 3.32Å; D248-R320 IonicContact OD1-CZ 3.05Å; D248-R320 IonicContact OD1-NH1 3.71Å; D248-R320 IonicContact OD1-NH2 2.81Å; D248-R320 PolarHBondContact OD1-NH2 2.98Å; D248-R320 IonicContact OD2-CZ 2.87Å; D248-R320 VanDerWaalsContact OD2-CZ 3.29Å; D248-R320 IonicContact OD2-NH1 2.7Å; D248-R320 PolarHBondContact OD2-NH1 2.99Å; D248-R320 IonicContact OD2-NH2 2.83Å; D248-R320 PolarHBondContact OD2-NH2 3.31Å; L316-R320 WeakPolarHBondContact O-CD 3.16Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.48Å; I317-R320 PolarHBondContact O-N 3.49Å; I317-R320 VanDerWaalsContact O-N 3.08Å; A318-R320 VanDerWaalsContact C-N 3.27Å; A318-R320 PolarHBondContact O-N 3.13Å; R320-S323 PolarHBondContact O-OG 3.44Å; R320-S323 VanDerWaalsContact O-OG 3.04Å; R320-I324 WeakPolarHBondContact O-CD1 3.47Å; R320-I324 WeakPolarHBondContact O-CG1 3.45Å; R320-I324 PolarHBondContact O-N 3.32Å |
| 321 | V | 88.9 | Confident | 71.3 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | F150 Y204 I242 I317 I324 | F150-V321 HydrophobicContact CD1-CG1 3.59Å; F150-V321 HydrophobicContact CD2-CG1 4.1Å; F150-V321 HydrophobicContact CE1-CG1 3.7Å; F150-V321 HydrophobicContact CE2-CG1 4.18Å; F150-V321 HydrophobicContact CE2-CG2 4.32Å; F150-V321 HydrophobicContact CG-CG1 3.81Å; F150-V321 HydrophobicContact CZ-CG1 4Å; Y204-V321 HydrophobicContact CD2-CG1 4.19Å; Y204-V321 HydrophobicContact CD2-CG2 3.85Å; Y204-V321 HydrophobicContact CE2-CB 4.38Å; Y204-V321 HydrophobicContact CE2-CG1 3.81Å; Y204-V321 HydrophobicContact CE2-CG2 4.21Å; Y204-V321 HydrophobicContact CG-CG2 4.38Å; I242-V321 HydrophobicContact CD1-CG2 4.06Å; I317-V321 HydrophobicContact CG2-CG2 3.89Å; I317-V321 WeakPolarHBondContact O-CG2 3.4Å; I317-V321 PolarHBondContact O-N 3.47Å; V321-I324 PolarHBondContact O-N 2.59Å |
| 322 | M | 77.4 | Confident | 68.6 | Low | 103 Ų | 103 | 78.7 Ų | 78.7 | 51% | 0.507 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.7 | -27.2 | -178.8 | -65 | 176.2 | 179.1 | 0 | 0 | 114.1 | A318 | A318-M322 HydrophobicContact CB-CE 4.37Å; A318-M322 VanDerWaalsContact O-CB 3.29Å; A318-M322 WeakPolarHBondContact O-CB 3.43Å; A318-M322 WeakPolarHBondContact O-CG 3.47Å; A318-M322 PolarHBondContact O-N 3.34Å |
| 323 | S | 65.4 | Low | 65.7 | Low | 63 Ų | 63 | 87.4 Ų | 87.4 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71 | -33.9 | 175.6 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | P319 R320 K326 | P319-S323 WeakPolarHBondContact O-CB 3.42Å; P319-S323 PolarHBondContact O-N 3.15Å; P319-S323 PolarHBondContact O-OG 2.9Å; R320-S323 PolarHBondContact O-OG 3.44Å; R320-S323 VanDerWaalsContact O-OG 3.04Å; S323-K326 PolarHBondContact O-N 2.78Å |
| 324 | I | 57.3 | Low | 62.7 | Low | 37 Ų | 37 | 93.1 Ų | 93.1 | 19% | 0.19 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -74.3 | -30 | -176.7 | -64.7 | 165.6 | 0 | 0 | 0 | 111 | Y204 I242 R320 V321 K326 E327 | Y204-I324 HydrophobicContact CD1-CD1 4.1Å; Y204-I324 HydrophobicContact CE1-CB 4.27Å; Y204-I324 HydrophobicContact CE1-CD1 3.52Å; Y204-I324 HydrophobicContact CE1-CG1 4.49Å; Y204-I324 HydrophobicContact CE1-CG2 3.95Å; Y204-I324 VanDerWaalsContact OH-CG2 3.24Å; Y204-I324 WeakPolarHBondContact OH-CG2 3.42Å; I242-I324 HydrophobicContact CG2-CD1 3.97Å; R320-I324 WeakPolarHBondContact O-CD1 3.47Å; R320-I324 WeakPolarHBondContact O-CG1 3.45Å; R320-I324 PolarHBondContact O-N 3.32Å; V321-I324 PolarHBondContact O-N 2.59Å; I324-K326 PolarHBondContact O-N 3.13Å; I324-E327 PolarHBondContact O-N 3.13Å |
| 325 | E | 50.3 | Low | 59.8 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.7 | 173.3 | -73.5 | -178.5 | 170.2 | 0 | 0 | 113.5 | ||
| 326 | K | 44.3 | Very low | 57 | Low | 186 Ų | 186 | 94.8 Ų | 94.8 | 81% | 0.809 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.6 | 179.8 | -67.1 | -175.8 | -179.5 | 179.8 | 0 | 114.3 | S323 I324 | S323-K326 PolarHBondContact O-N 2.78Å; I324-K326 PolarHBondContact O-N 3.13Å |
| 327 | E | 40.1 | Very low | 53.9 | Low | 166 Ų | 166 | 101.2 Ų | 101.2 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -93.6 | -2.7 | -177.9 | -71.3 | -172.5 | 170.9 | 0 | 0 | 113.5 | I324 P329 | I324-E327 PolarHBondContact O-N 3.13Å; E327-P329 VanDerWaalsContact O-CD 3.29Å; E327-P329 WeakPolarHBondContact O-CD 3.21Å |
| 328 | I | 40.3 | Very low | 50.8 | Low | 105 Ų | 105 | 109 Ų | 109 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -73.5 | 116.7 | 173.4 | -55 | 175.6 | 0 | 0 | 0 | 108.1 | I330 | I328-I330 PolarHBondContact O-N 3.24Š|
| 329 | P | 33 | Very low | 47.8 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 71% | 0.714 | 60% | 0.602 | S | S | * | * | trans | -66.5 | 115 | 176.6 | -11.2 | 25.8 | 0 | 0 | 0 | 108.2 | E327 Q331 | E327-P329 VanDerWaalsContact O-CD 3.29Å; E327-P329 WeakPolarHBondContact O-CD 3.21Å; P329-Q331 PolarHBondContact O-N 2.92Å | ||
| 330 | I | 37 | Very low | 44.8 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 83% | 0.826 | 62% | 0.619 | S | S | * | * | trans | -60 | 109.9 | 164.2 | -57.4 | 170 | 0 | 0 | 0 | 105.5 | I328 | I328-I330 PolarHBondContact O-N 3.24Š| ||
| 331 | Q | 33.8 | Very low | 41.9 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | trans | -65.3 | 129.9 | 167.7 | -68 | -150.2 | -11.3 | 0 | 0 | 107.3 | P329 E333 | P329-Q331 PolarHBondContact O-N 2.92Å; Q331-E333 PolarHBondContact O-N 3.28Å | ||
| 332 | P | 34.7 | Very low | 39 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -63.3 | 113.7 | 178.8 | 23.4 | -29.7 | 0 | 0 | 0 | 108.4 | T334 | P332-T334 PolarHBondContact O-N 3.34Š| ||
| 333 | E | 33.5 | Very low | 36.7 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -55.8 | 124.5 | 171 | -72 | -176.2 | 169.4 | 0 | 0 | 108.3 | Q331 I335 | Q331-E333 PolarHBondContact O-N 3.28Å; E333-I335 PolarHBondContact O-N 2.92Å | ||
| 334 | T | 29.1 | Very low | 35 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -66.5 | 106.5 | 174.5 | -50.9 | 0 | 0 | 0 | 0 | 106.9 | P332 I336 | P332-T334 PolarHBondContact O-N 3.34Å; T334-I336 VanDerWaalsContact C-N 3.33Å; T334-I336 HydrophobicContact CG2-CG1 4.49Å; T334-I336 PolarHBondContact O-N 3.48Å | ||
| 335 | I | 31.7 | Very low | 33.4 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -62.1 | 99.2 | 169.2 | -60.8 | 173.8 | 0 | 0 | 0 | 106.6 | E333 N337 | E333-I335 PolarHBondContact O-N 2.92Å; I335-N337 PolarHBondContact O-N 2.9Å | ||
| 336 | I | 32.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | -80.5 | 107.1 | 164.7 | -64.3 | 175.5 | 0 | 0 | 0 | 105.4 | T334 E338 | T334-I336 VanDerWaalsContact C-N 3.33Å; T334-I336 HydrophobicContact CG2-CG1 4.49Å; T334-I336 PolarHBondContact O-N 3.48Å; I336-E338 PolarHBondContact O-N 3.06Å; I336-E338 VanDerWaalsContact O-N 3.08Å | ||
| 337 | N | 29.7 | Very low | 31.5 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -63.6 | 101.4 | 167 | -79.1 | -24 | 0 | 0 | 0 | 108.7 | I335 Y339 | I335-N337 PolarHBondContact O-N 2.9Å; N337-Y339 PolarHBondContact O-N 3.25Å | ||
| 338 | E | 30.1 | Very low | 30.9 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -80.8 | 113.5 | 161 | -81.9 | -174.8 | 162.2 | 0 | 0 | 109.1 | I336 H340 | I336-E338 PolarHBondContact O-N 3.06Å; I336-E338 VanDerWaalsContact O-N 3.08Å; E338-H340 PolarHBondContact O-N 3.13Å | ||
| 339 | Y | 29 | Very low | 30.3 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -55.8 | 119.1 | 163.3 | -84.2 | -102.4 | 0 | 0 | 0 | 109.6 | N337 | N337-Y339 PolarHBondContact O-N 3.25Š| ||
| 340 | H | 31.3 | Very low | 30.2 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -108.8 | 102.3 | 153.6 | -88.4 | -65.9 | 0 | 0 | 0 | 108.4 | E338 | E338-H340 PolarHBondContact O-N 3.13Š| ||
| 341 | E | 30.2 | Very low | 29.9 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -67.9 | 120.7 | 152 | -75.6 | -178.2 | 153.5 | 0 | 0 | 107.4 | ||||
| 342 | D | 28.2 | Very low | 29.7 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -146.9 | 133.9 | 146.3 | -100.6 | -30.9 | 0 | 0 | 0 | 110.4 | ||||
| 343 | S | 30.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -85.4 | 143.8 | -168.9 | -78.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 344 | Q | 28.6 | Very low | 29.5 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | 65.4 | 115.5 | 144.8 | -65.8 | 177.6 | 5.4 | 0 | 0 | 119.7 | ||||
| 345 | C | 24.7 | Very low | 29.6 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | -168.2 | 148.1 | 100.6 | -137.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 346 | S | 26.8 | Very low | 29.6 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -78.2 | 155.3 | -170.5 | 49.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 347 | L | 27.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 167.5 | 96.5 | 137.1 | -91 | 145.3 | 0 | 0 | 0 | 108.7 | ||||
| 348 | S | 27.4 | Very low | 29.6 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | 76.5 | 121.5 | 97.5 | 69.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 349 | T | 28.1 | Very low | 29.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 76 | 137.3 | 135.5 | 55.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 350 | D | 29.7 | Very low | 29.9 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -166.6 | 162.4 | 3.8 | -93.3 | -27.3 | 0 | 0 | 0 | 108.7 | ||||
| 351 | D | 30.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 140.3 | 148.2 | -67.7 | -18.8 | 0 | 0 | 0 | 120.3 | ||||
| 352 | D | 29.8 | Very low | 30.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | cis | -162.2 | 146.4 | 22.7 | -107.2 | -40.6 | 0 | 0 | 0 | 111.5 | ||||
| 353 | R | 31.9 | Very low | 30.5 | Very low | 201 Ų | 201 | 134 Ų | 134 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | 20 | 152.5 | 131.7 | -57.4 | 179.5 | -153.1 | -154.6 | -0.6 | 119.8 | ||||
| 354 | E | 32.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | cis | -177.8 | 153.5 | 17 | -123 | 166.8 | -160.8 | 0 | 0 | 108.7 | ||||
| 355 | A | 32.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | trans | 53.2 | 157.4 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 356 | K | 31 | Very low | 31 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | cis | -176 | 155 | -17.1 | -109.3 | -172.7 | 168.7 | -161.7 | 0 | 105.4 | ||||
| 357 | D | 30.5 | Very low | 31.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | trans | 38.2 | 124.6 | 142.9 | -52.1 | -26.3 | 0 | 0 | 0 | 121.5 | ||||
| 358 | D | 30.3 | Very low | 31.5 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | 172.1 | 120 | 113.7 | -81.9 | -16.5 | 0 | 0 | 0 | 108 | |||||
| 359 | D | 32.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | 103.3 | 146.6 | 56.1 | -142.6 | 10.2 | 0 | 0 | 0 | 111.7 | |||||
| 360 | Y | 34.1 | Very low | 31.8 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 73% | 0.725 | 73% | 0.728 | S | S | * | * | trans | 100.5 | 105.5 | 163.8 | -81.5 | -109.3 | 0 | 0 | 0 | 124.3 | ||||
| 361 | I | 35.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | 72.8 | 139.2 | 118.7 | -68.1 | -160.5 | 0 | 0 | 0 | 119.7 | |||||
| 362 | D | 34.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -161.7 | 158.5 | 0.9 | -138.5 | -20 | 0 | 0 | 0 | 112.4 | ||||
| 363 | S | 32.8 | Very low | 32.6 | Very low | 73 Ų | 73 | 147 Ų | 147 | 51% | 0.51 | 74% | 0.739 | S | S | . | * | trans | 41.2 | 126.1 | 136.4 | 77.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 364 | D | 30.6 | Very low | 32.8 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | 71.2 | 115 | 118.6 | -58.9 | -10.7 | 0 | 0 | 0 | 121.2 | |||||
| 365 | A | 30.8 | Very low | 32.9 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | 175.5 | 97.3 | 89.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 366 | E | 31.9 | Very low | 33.2 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | trans | -86.5 | 122.4 | 149.5 | -80.5 | -178.5 | 146.1 | 0 | 0 | 108 | ||||
| 367 | E | 34.3 | Very low | 33.7 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | 171.3 | 134.8 | 127.3 | -102.8 | -162.6 | 147.2 | 0 | 0 | 113.2 | |||||
| 368 | K | 31.3 | Very low | 34.1 | Very low | 147 Ų | 147 | 148 Ų | 148 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | 62.9 | 121.6 | 141.6 | -63.4 | 169.4 | 172.9 | 144.8 | 0 | 118.8 | ||||
| 369 | F | 28.1 | Very low | 34.3 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -176.9 | 134.5 | 85.1 | -125.5 | -89.4 | 0 | 0 | 0 | 111.2 | |||||
| 370 | Q | 33.7 | Very low | 34.4 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 156.9 | 169.8 | -144.4 | 90.5 | -1.4 | 0 | 0 | 111.6 | ||||
| 371 | N | 31.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 87.7 | 112.3 | 155.1 | -57.5 | -21.9 | 0 | 0 | 0 | 118.7 | ||||
| 372 | M | 33.9 | Very low | 34.3 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | 158.3 | 134.9 | 127 | -88.2 | -179.8 | 139.3 | 0 | 0 | 106.4 | |||||
| 373 | I | 40.6 | Very low | 34.3 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 65% | 0.651 | 78% | 0.781 | S | S | * | * | cis | -169.4 | 140.9 | 5.7 | -115.4 | 165.5 | 0 | 0 | 0 | 104.6 | ||||
| 374 | D | 36.1 | Very low | 34.4 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -52.4 | 138.1 | 158.8 | -71.7 | -51 | 0 | 0 | 0 | 110.8 | ||||
| 375 | N | 34 | Very low | 34.7 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 165.6 | 141 | 143.2 | -91.1 | -7.4 | 0 | 0 | 0 | 107.2 | ||||
| 376 | D | 38.6 | Very low | 35 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | cis | 175 | 154.2 | -16.4 | -137.5 | -9.2 | 0 | 0 | 0 | 102 | ||||
| 377 | S | 41.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 154.1 Ų | 154.1 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 61.3 | 125.7 | 161.8 | 54.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 378 | D | 39.6 | Very low | 35.4 | Very low | 239 Ų | 239 | 154.9 Ų | 154.9 | 100% | 1.278 | 80% | 0.795 | S | S | * | * | -147.6 | 0 | 51 | -88.3 | -34.3 | 0 | 0 | 0 | 113.4 |
Retrieved 378 of 378 residues in 324.6 ms
(Link to these results)