| 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 | 47.7 | Very low | 79.3 | Confident | 241 Ų | 241 | 77.4 Ų | 77.4 | 100% | 1.187 | 40% | 0.404 | S | S | * | . | 0 | 119.4 | 0 | -59.8 | -176.3 | -145.5 | 0 | 0 | 107 | K3 | M1-K3 PolarHBondContact O-N 3.36Š| |||
| 2 | A | 56.6 | Low | 80.1 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 132 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P35 | A2-P35 HydrophobicContact CB-CG 3.73Š|
| 3 | K | 72.9 | Confident | 80.8 | Confident | 193 Ų | 193 | 78.5 Ų | 78.5 | 84% | 0.839 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -65 | 139 | 173.7 | -72.6 | 179.4 | 176.8 | 177.8 | 0 | 108.6 | M1 P35 | M1-K3 PolarHBondContact O-N 3.36Å; K3-P35 WeakPolarHBondContact O-CG 3.38Å |
| 4 | A | 82.7 | Confident | 81.5 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 145.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T6 P36 E38 | A4-T6 PolarHBondContact O-N 3.02Å; A4-P36 WeakPolarHBondContact CB-O 3.47Å; A4-E38 HydrophobicContact CB-CB 4.19Å; A4-E38 HydrophobicContact CB-CG 3.71Å |
| 5 | T | 84.5 | Confident | 82.1 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 126.1 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 108.5 | E9 A10 L33 P35 P36 | T5-E9 HydrophobicContact CG2-CB 3.9Å; T5-A10 HydrophobicContact CG2-CB 4.13Å; T5-L33 HydrophobicContact CG2-CD1 4.41Å; T5-P35 WeakPolarHBondContact CB-O 3.49Å; T5-P35 PolarHBondContact OG1-O 3.15Å; T5-P36 PolarHBondContact N-O 2.98Å |
| 6 | T | 88 | Confident | 82.5 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 155 | 174 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | A4 K8 E9 A10 | A4-T6 PolarHBondContact O-N 3.02Å; T6-K8 PolarHBondContact O-N 3.32Å; T6-E9 PolarHBondContact N-OE2 3.08Å; T6-E9 PolarHBondContact O-N 3.01Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 WeakPolarHBondContact OG1-CG 3.34Å; T6-E9 PolarHBondContact OG1-N 2.79Å; T6-E9 PolarHBondContact OG1-OE2 3.46Å; T6-A10 WeakPolarHBondContact O-CB 3.14Å; T6-A10 PolarHBondContact O-N 3.31Å |
| 7 | M | 85.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 176.8 | -63.3 | -67.9 | -63.7 | 0 | 0 | 111.2 | A10 I11 L30 I37 D41 L44 L55 | M7-A10 WeakPolarHBondContact O-CB 3.36Å; M7-A10 PolarHBondContact O-N 3.28Å; M7-I11 WeakPolarHBondContact O-CB 3.2Å; M7-I11 WeakPolarHBondContact O-CD1 3.41Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.13Å; M7-L30 HydrophobicContact CE-CD1 4.09Å; M7-I37 HydrophobicContact CG-CG2 4.41Å; M7-I37 HydrophobicContact SD-CD1 3.72Å; M7-I37 HydrophobicContact SD-CG1 4.33Å; M7-I37 HydrophobicContact SD-CG2 3.52Å; M7-I37 VanDerWaalsContact SD-CG2 3.52Å; M7-D41 VanDerWaalsContact CB-OD1 3.32Å; M7-D41 WeakPolarHBondContact CB-OD1 3.36Å; M7-D41 WeakPolarHBondContact CB-OD2 3.25Å; M7-D41 PolarHBondContact N-OD2 2.72Å; M7-L44 HydrophobicContact CE-CD1 4.11Å; M7-L44 HydrophobicContact CE-CD2 3.34Å; M7-L44 HydrophobicContact CE-CG 3.69Å; M7-L55 HydrophobicContact CE-CD1 4.16Å; M7-L55 HydrophobicContact CE-CD2 3.81Å; M7-L55 HydrophobicContact SD-CD2 4.17Å |
| 8 | K | 87.4 | Confident | 83.1 | Confident | 134 Ų | 134 | 83.2 Ų | 83.2 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.2 | -49.8 | 175.7 | -170.5 | 177.7 | 178.7 | -177.6 | 0 | 111.8 | T6 A10 I11 I12 | T6-K8 PolarHBondContact O-N 3.32Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 2.81Å; K8-I11 PolarHBondContact O-N 3.25Å; K8-I12 HydrophobicContact CG-CD1 4.03Å; K8-I12 VanDerWaalsContact O-CG1 3.26Å; K8-I12 WeakPolarHBondContact O-CG1 3.41Å; K8-I12 PolarHBondContact O-N 3.26Å |
| 9 | E | 89.3 | Confident | 83.2 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 177.2 | -71.1 | 162.6 | 156.6 | 0 | 0 | 111.7 | T5 T6 I12 K13 | T5-E9 HydrophobicContact CG2-CB 3.9Å; T6-E9 PolarHBondContact N-OE2 3.08Å; T6-E9 PolarHBondContact O-N 3.01Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 WeakPolarHBondContact OG1-CG 3.34Å; T6-E9 PolarHBondContact OG1-N 2.79Å; T6-E9 PolarHBondContact OG1-OE2 3.46Å; E9-I12 PolarHBondContact O-N 2.87Å; E9-K13 WeakPolarHBondContact O-CB 2.68Å; E9-K13 VanDerWaalsContact O-CG 3.31Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 2.81Å |
| 10 | A | 89.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.008 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T5 T6 M7 K8 K13 W14 L30 L33 I37 | T5-A10 HydrophobicContact CG2-CB 4.13Å; T6-A10 WeakPolarHBondContact O-CB 3.14Å; T6-A10 PolarHBondContact O-N 3.31Å; M7-A10 WeakPolarHBondContact O-CB 3.36Å; M7-A10 PolarHBondContact O-N 3.28Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 2.81Å; A10-K13 PolarHBondContact O-N 3.29Å; A10-W14 VanDerWaalsContact O-CB 3.29Å; A10-W14 WeakPolarHBondContact O-CB 3.29Å; A10-W14 PolarHBondContact O-N 3.46Å; A10-L30 HydrophobicContact CB-CD1 4.48Å; A10-L30 HydrophobicContact CB-CD2 4.15Å; A10-L30 WeakPolarHBondContact O-CD2 3.41Å; A10-L33 HydrophobicContact CB-CD1 3.4Å; A10-L33 VanDerWaalsContact CB-CD1 3.4Å; A10-I37 HydrophobicContact CB-CD1 3.86Å; A10-I37 HydrophobicContact CB-CG1 4.43Å |
| 11 | I | 88.9 | Confident | 83.6 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 5% | 0.046 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 178.2 | -68.8 | 164.6 | 0 | 0 | 0 | 110.5 | M7 K8 W14 E15 P22 L30 S43 L47 | M7-I11 WeakPolarHBondContact O-CB 3.2Å; M7-I11 WeakPolarHBondContact O-CD1 3.41Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.13Å; K8-I11 PolarHBondContact O-N 3.25Å; I11-W14 CarbonylContact O-C 3.53Å; I11-W14 PolarHBondContact O-N 2.74Å; I11-E15 WeakPolarHBondContact O-CB 3.37Å; I11-E15 PolarHBondContact O-N 3.23Å; I11-P22 HydrophobicContact CG2-CB 3.86Å; I11-P22 HydrophobicContact CG2-CG 3.57Å; I11-L30 HydrophobicContact CG1-CD1 4.01Å; I11-S43 WeakPolarHBondContact CD1-O 3.35Å; I11-L47 HydrophobicContact CD1-CG 4.49Å |
| 12 | I | 89 | Confident | 85.3 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 35% | 0.354 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 177 | -68.5 | 164 | 0 | 0 | 0 | 110.6 | K8 E9 W14 E15 E16 | K8-I12 HydrophobicContact CG-CD1 4.03Å; K8-I12 VanDerWaalsContact O-CG1 3.26Å; K8-I12 WeakPolarHBondContact O-CG1 3.41Å; K8-I12 PolarHBondContact O-N 3.26Å; E9-I12 PolarHBondContact O-N 2.87Å; I12-W14 PolarHBondContact O-N 3.14Å; I12-E15 WeakPolarHBondContact O-CB 3.49Å; I12-E15 PolarHBondContact O-N 2.7Å; I12-E16 HydrophobicContact CG2-CG 4.49Å; I12-E16 WeakPolarHBondContact O-CG 3.42Å; I12-E16 PolarHBondContact O-N 2.83Å |
| 13 | K | 88.8 | Confident | 86.7 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 176.7 | -73.9 | 176.1 | -180 | 177.2 | 0 | 112.2 | E9 A10 K17 | E9-K13 WeakPolarHBondContact O-CB 2.68Å; E9-K13 VanDerWaalsContact O-CG 3.31Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 2.81Å; A10-K13 PolarHBondContact O-N 3.29Å; K13-K17 VanDerWaalsContact O-CB 3.29Å; K13-K17 WeakPolarHBondContact O-CB 3.29Å; K13-K17 PolarHBondContact O-N 2.81Å; K13-K17 VanDerWaalsContact O-N 3.13Å |
| 14 | W | 90.4 | Very high | 87.4 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.3 | -40.2 | 176.5 | 170.8 | 84.4 | 0 | 0 | 0 | 111.9 | A10 I11 I12 K17 S18 E20 P22 A25 E27 V28 L30 | A10-W14 VanDerWaalsContact O-CB 3.29Å; A10-W14 WeakPolarHBondContact O-CB 3.29Å; A10-W14 PolarHBondContact O-N 3.46Å; I11-W14 CarbonylContact O-C 3.53Å; I11-W14 PolarHBondContact O-N 2.74Å; I12-W14 PolarHBondContact O-N 3.14Å; W14-K17 PolarHBondContact O-N 2.77Å; W14-S18 VanDerWaalsContact O-CB 3.25Å; W14-S18 WeakPolarHBondContact O-CB 3.36Å; W14-S18 PolarHBondContact O-N 3.2Å; W14-S18 PolarHBondContact O-OG 2.93Å; W14-E20 HydrophobicContact CH2-CB 4.04Å; W14-P22 HydrophobicContact CZ3-CB 4.28Å; W14-P22 HydrophobicContact CZ3-CG 4.1Å; W14-A25 HydrophobicContact CH2-CB 3.27Å; W14-A25 HydrophobicContact CZ2-CB 3.92Å; W14-A25 HydrophobicContact CZ3-CB 4.18Å; W14-E27 WeakPolarHBondContact CZ2-O 3.42Å; W14-V28 HydrophobicContact CD2-CG1 4.03Å; W14-V28 HydrophobicContact CE3-CG1 4.36Å; W14-V28 HydrophobicContact CG-CG1 4.46Å; W14-V28 HydrophobicContact CH2-CG2 4.16Å; W14-V28 HydrophobicContact CZ2-CB 4.42Å; W14-V28 HydrophobicContact CZ2-CG2 4.04Å; W14-L30 HydrophobicContact CB-CD2 3.46Å; W14-L30 VanDerWaalsContact CB-CD2 3.46Å; W14-L30 HydrophobicContact CG-CD2 3.85Å |
| 15 | E | 90.6 | Very high | 87.7 | Confident | 75 Ų | 75 | 71 Ų | 71 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.2 | 175.2 | 171 | -156.2 | 0 | 0 | 110.5 | I11 I12 K17 S18 G19 P22 | I11-E15 WeakPolarHBondContact O-CB 3.37Å; I11-E15 PolarHBondContact O-N 3.23Å; I12-E15 WeakPolarHBondContact O-CB 3.49Å; I12-E15 PolarHBondContact O-N 2.7Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.17Å; E15-S18 PolarHBondContact O-N 2.88Å; E15-G19 WeakPolarHBondContact O-CA 3.12Å; E15-G19 PolarHBondContact O-N 2.91Å; E15-P22 HydrophobicContact CB-CG 4.21Å; E15-P22 VanDerWaalsContact CD-CD 3.45Å; E15-P22 HydrophobicContact CG-CG 4.41Å; E15-P22 WeakPolarHBondContact OE1-CD 3.48Å |
| 16 | E | 88.7 | Confident | 88 | Confident | 154 Ų | 154 | 76.9 Ų | 76.9 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.1 | -36 | 175 | -72 | 174.3 | 166.9 | 0 | 0 | 112.6 | I12 | I12-E16 HydrophobicContact CG2-CG 4.49Å; I12-E16 WeakPolarHBondContact O-CG 3.42Å; I12-E16 PolarHBondContact O-N 2.83Å |
| 17 | K | 88.5 | Confident | 88.1 | Confident | 180 Ų | 180 | 77.6 Ų | 77.6 | 78% | 0.783 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -83 | -36.3 | -178.1 | -172.7 | 176.5 | -179.4 | -179.4 | 0 | 113.4 | K13 W14 E15 | K13-K17 VanDerWaalsContact O-CB 3.29Å; K13-K17 WeakPolarHBondContact O-CB 3.29Å; K13-K17 PolarHBondContact O-N 2.81Å; K13-K17 VanDerWaalsContact O-N 3.13Å; W14-K17 PolarHBondContact O-N 2.77Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.17Å |
| 18 | S | 86.9 | Confident | 88.4 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -86.1 | -28.8 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | W14 E15 E20 | W14-S18 VanDerWaalsContact O-CB 3.25Å; W14-S18 WeakPolarHBondContact O-CB 3.36Å; W14-S18 PolarHBondContact O-N 3.2Å; W14-S18 PolarHBondContact O-OG 2.93Å; E15-S18 PolarHBondContact O-N 2.88Å; S18-E20 PolarHBondContact O-N 3.3Å; S18-E20 PolarHBondContact OG-N 3.33Å |
| 19 | G | 84.4 | Confident | 88.6 | Confident | 69 Ų | 69 | 76 Ų | 76 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | trans | 70.3 | 4.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E15 | E15-G19 WeakPolarHBondContact O-CA 3.12Å; E15-G19 PolarHBondContact O-N 2.91Å | ||
| 20 | E | 87.4 | Confident | 88.5 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 49% | 0.486 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -98.9 | 142.4 | -179.4 | -71.2 | -174.7 | -161.7 | 0 | 0 | 111.2 | W14 S18 A25 | W14-E20 HydrophobicContact CH2-CB 4.04Å; S18-E20 PolarHBondContact O-N 3.3Å; S18-E20 PolarHBondContact OG-N 3.33Å; E20-A25 HydrophobicContact CB-CB 4.4Å |
| 21 | K | 87.9 | Confident | 88.4 | Confident | 130 Ų | 130 | 77.9 Ų | 77.9 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | trans | -70.3 | 131.1 | 174 | -69.8 | -176.5 | -176.5 | 172.6 | 0 | 109.8 | N23 E24 A25 | K21-N23 PolarHBondContact O-N 2.78Å; K21-E24 PolarHBondContact O-N 3.42Å; K21-A25 WeakPolarHBondContact O-CB 3.08Å; K21-A25 PolarHBondContact O-N 3.29Å; K21-A25 VanDerWaalsContact O-N 3.08Å | ||
| 22 | P | 84.4 | Confident | 88.2 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -30.7 | 179.9 | -27 | 32.4 | 0 | 0 | 0 | 114.5 | I11 W14 E15 A46 L47 | I11-P22 HydrophobicContact CG2-CB 3.86Å; I11-P22 HydrophobicContact CG2-CG 3.57Å; W14-P22 HydrophobicContact CZ3-CB 4.28Å; W14-P22 HydrophobicContact CZ3-CG 4.1Å; E15-P22 HydrophobicContact CB-CG 4.21Å; E15-P22 VanDerWaalsContact CD-CD 3.45Å; E15-P22 HydrophobicContact CG-CG 4.41Å; E15-P22 WeakPolarHBondContact OE1-CD 3.48Å; P22-A46 CarbonylContact C-O 3.59Å; P22-A46 HydrophobicContact CB-CB 4.37Å; P22-L47 HydrophobicContact CB-CD2 3.54Å; P22-L47 WeakPolarHBondContact O-CD2 2.95Å |
| 23 | N | 86.3 | Confident | 88 | Confident | 91 Ų | 91 | 77.5 Ų | 77.5 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.7 | -178.2 | -168.8 | 38.2 | 0 | 0 | 0 | 114.4 | K21 A46 A48 S49 | K21-N23 PolarHBondContact O-N 2.78Å; N23-A46 WeakPolarHBondContact CA-O 3.38Å; N23-A46 PolarHBondContact N-O 2.84Å; N23-A48 WeakPolarHBondContact OD1-CB 3.49Å; N23-S49 WeakPolarHBondContact O-CB 3.21Å; N23-S49 PolarHBondContact O-OG 2.96Å |
| 24 | E | 86.8 | Confident | 87.7 | Confident | 134 Ų | 134 | 80.1 Ų | 80.1 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -18.5 | -178.2 | -68.1 | 171 | -154.5 | 0 | 0 | 111.8 | K21 K26 | K21-E24 PolarHBondContact O-N 3.42Å; E24-K26 PolarHBondContact O-N 3.18Å |
| 25 | A | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | trans | -66.5 | 124.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W14 E20 K21 V28 S49 C50 | W14-A25 HydrophobicContact CH2-CB 3.27Å; W14-A25 HydrophobicContact CZ2-CB 3.92Å; W14-A25 HydrophobicContact CZ3-CB 4.18Å; E20-A25 HydrophobicContact CB-CB 4.4Å; K21-A25 WeakPolarHBondContact O-CB 3.08Å; K21-A25 PolarHBondContact O-N 3.29Å; K21-A25 VanDerWaalsContact O-N 3.08Å; A25-V28 HydrophobicContact CB-CG2 4.08Å; A25-S49 CarbonylContact O-C 3.59Å; A25-C50 WeakPolarHBondContact O-CA 3.44Å; A25-C50 PolarHBondContact O-N 2.86Å | ||
| 26 | K | 90.3 | Very high | 87.4 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -82.5 | -25.3 | 175.4 | -64 | -174.5 | 178.9 | -171.7 | 0 | 112.4 | E24 E51 K52 | E24-K26 PolarHBondContact O-N 3.18Å; K26-E51 HydrophobicContact CB-CG 4.46Å; K26-E51 CarbonylContact O-C 3.36Å; K26-E51 WeakPolarHBondContact O-CA 3.23Å; K26-E51 PolarHBondContact O-N 3.48Å; K26-K52 PolarHBondContact O-N 3.48Å |
| 27 | E | 91.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 113.3 | -175.4 | -176.7 | 167.2 | 162.3 | 0 | 0 | 110.7 | W14 K29 K52 | W14-E27 WeakPolarHBondContact CZ2-O 3.42Å; E27-K29 HydrophobicContact CG-CG 4.47Å; E27-K29 WeakPolarHBondContact OE1-CE 3.4Å; E27-K29 IonicContact OE1-NZ 2.81Å; E27-K29 PolarHBondContact OE1-NZ 3.18Å; E27-K52 CarbonylContact C-O 3.42Å; E27-K52 WeakPolarHBondContact CA-O 3.46Å; E27-K52 HydrophobicContact CB-CB 4.2Å; E27-K52 HydrophobicContact CG-CB 3.96Å; E27-K52 HydrophobicContact CG-CD 4.22Å; E27-K52 IonicContact OE2-NZ 3.54Å |
| 28 | V | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | -174.1 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | W14 A25 L30 L47 C50 K52 L53 S54 | W14-V28 HydrophobicContact CD2-CG1 4.03Å; W14-V28 HydrophobicContact CE3-CG1 4.36Å; W14-V28 HydrophobicContact CG-CG1 4.46Å; W14-V28 HydrophobicContact CH2-CG2 4.16Å; W14-V28 HydrophobicContact CZ2-CB 4.42Å; W14-V28 HydrophobicContact CZ2-CG2 4.04Å; A25-V28 HydrophobicContact CB-CG2 4.08Å; V28-L30 HydrophobicContact CG1-CD1 4.07Å; V28-L30 HydrophobicContact CG1-CD2 4.22Å; V28-L30 HydrophobicContact CG1-CG 3.86Å; V28-L47 HydrophobicContact CB-CD1 4.27Å; V28-L47 HydrophobicContact CG1-CD1 3.89Å; V28-L47 HydrophobicContact CG1-CD2 4.34Å; V28-L47 HydrophobicContact CG2-CD1 4.2Å; V28-L47 HydrophobicContact CG2-CD2 3.94Å; V28-C50 HydrophobicContact CG2-CB 4.24Å; V28-K52 PolarHBondContact N-O 3.42Å; V28-L53 HydrophobicContact CB-CD1 4.07Å; V28-L53 HydrophobicContact CG1-CD1 4.03Å; V28-S54 PolarHBondContact O-N 3.18Å |
| 29 | K | 90.7 | Very high | 87.3 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 95.2 | -171.5 | -69.5 | -179.9 | -173.9 | 173.8 | 0 | 111 | E27 Y31 | E27-K29 HydrophobicContact CG-CG 4.47Å; E27-K29 WeakPolarHBondContact OE1-CE 3.4Å; E27-K29 IonicContact OE1-NZ 2.81Å; E27-K29 PolarHBondContact OE1-NZ 3.18Å; K29-Y31 HydrophobicContact CB-CD1 3.91Å; K29-Y31 HydrophobicContact CB-CE1 3.83Å; K29-Y31 HydrophobicContact CD-CE1 4.12Å; K29-Y31 HydrophobicContact CG-CD1 4.5Å; K29-Y31 HydrophobicContact CG-CE1 4.29Å |
| 30 | L | 88.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | trans | -111.8 | 51 | -179.7 | -55.2 | 178.2 | 0 | 0 | 0 | 110.7 | M7 A10 I11 W14 V28 L53 S54 L55 N58 | M7-L30 HydrophobicContact CE-CD1 4.09Å; A10-L30 HydrophobicContact CB-CD1 4.48Å; A10-L30 HydrophobicContact CB-CD2 4.15Å; A10-L30 WeakPolarHBondContact O-CD2 3.41Å; I11-L30 HydrophobicContact CG1-CD1 4.01Å; W14-L30 HydrophobicContact CB-CD2 3.46Å; W14-L30 VanDerWaalsContact CB-CD2 3.46Å; W14-L30 HydrophobicContact CG-CD2 3.85Å; V28-L30 HydrophobicContact CG1-CD1 4.07Å; V28-L30 HydrophobicContact CG1-CD2 4.22Å; V28-L30 HydrophobicContact CG1-CG 3.86Å; L30-L53 HydrophobicContact CD1-CD1 4.4Å; L30-S54 CarbonylContact C-O 3.57Å; L30-S54 VanDerWaalsContact C-O 3.28Å; L30-S54 VanDerWaalsContact CA-O 3.3Å; L30-S54 WeakPolarHBondContact CA-O 3.43Å; L30-S54 PolarHBondContact N-O 3.27Å; L30-L55 HydrophobicContact CB-CD2 3.59Å; L30-L55 HydrophobicContact CB-CG 4.41Å; L30-L55 HydrophobicContact CD1-CD2 3.94Å; L30-L55 HydrophobicContact CG-CD2 4.37Å; L30-N58 PolarHBondContact O-ND2 3.35Å | ||
| 31 | Y | 87.6 | Confident | 87.3 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | trans | -101.1 | 147.3 | -177.4 | 65.2 | -97.7 | 0 | 0 | 0 | 113.1 | K29 L33 A56 | K29-Y31 HydrophobicContact CB-CD1 3.91Å; K29-Y31 HydrophobicContact CB-CE1 3.83Å; K29-Y31 HydrophobicContact CD-CE1 4.12Å; K29-Y31 HydrophobicContact CG-CD1 4.5Å; K29-Y31 HydrophobicContact CG-CE1 4.29Å; Y31-L33 PolarHBondContact O-N 3.21Å; Y31-A56 CarbonylContact C-O 3.5Å; Y31-A56 WeakPolarHBondContact CA-O 3.5Å; Y31-A56 VanDerWaalsContact CB-O 3.23Å; Y31-A56 WeakPolarHBondContact CB-O 3.23Å | ||
| 32 | G | 83.7 | Confident | 87.1 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 62.8 | 37.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A56 T57 | G32-A56 PolarHBondContact N-O 3.3Å; G32-T57 WeakPolarHBondContact CA-O 3.37Å; G32-T57 PolarHBondContact N-O 2.93Å |
| 33 | L | 84.7 | Confident | 87.2 | Confident | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | trans | -74 | 145.2 | -179.4 | -66.9 | 167.3 | 0 | 0 | 0 | 111.2 | T5 A10 Y31 P35 P36 I37 | T5-L33 HydrophobicContact CG2-CD1 4.41Å; A10-L33 HydrophobicContact CB-CD1 3.4Å; A10-L33 VanDerWaalsContact CB-CD1 3.4Å; Y31-L33 PolarHBondContact O-N 3.21Å; L33-P35 CarbonylContact C-O 3.6Å; L33-P35 CarbonylContact O-C 3.36Å; L33-P35 VanDerWaalsContact O-C 3.24Å; L33-P36 VanDerWaalsContact O-CA 3.32Å; L33-P36 WeakPolarHBondContact O-CA 3.32Å; L33-I37 HydrophobicContact CD1-CD1 3.44Å; L33-I37 VanDerWaalsContact CD1-CD1 3.44Å; L33-I37 HydrophobicContact CD1-CG1 3.79Å | ||
| 34 | I | 82.4 | Confident | 87 | Confident | 155 Ų | 155 | 63.7 Ų | 63.7 | 80% | 0.795 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -125.2 | 113 | 177.3 | -55 | 174.1 | 0 | 0 | 0 | 107.1 | ||
| 35 | P | 85.8 | Confident | 86.9 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | S | Bend | cis | -63.7 | 157.2 | -7.8 | -22.7 | 36.5 | 0 | 0 | 0 | 114 | A2 K3 T5 L33 | A2-P35 HydrophobicContact CB-CG 3.73Å; K3-P35 WeakPolarHBondContact O-CG 3.38Å; T5-P35 WeakPolarHBondContact CB-O 3.49Å; T5-P35 PolarHBondContact OG1-O 3.15Å; L33-P35 CarbonylContact C-O 3.6Å; L33-P35 CarbonylContact O-C 3.36Å; L33-P35 VanDerWaalsContact O-C 3.24Å |
| 36 | P | 88.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 159.3 | -178.6 | 29.4 | -35.3 | 0 | 0 | 0 | 112.5 | A4 T5 L33 A59 | A4-P36 WeakPolarHBondContact CB-O 3.47Å; T5-P36 PolarHBondContact N-O 2.98Å; L33-P36 VanDerWaalsContact O-CA 3.32Å; L33-P36 WeakPolarHBondContact O-CA 3.32Å; P36-A59 HydrophobicContact CB-CB 4.05Å; P36-A59 HydrophobicContact CG-CB 4.08Å |
| 37 | I | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 126.4 | 169.4 | -62.8 | 163.9 | 0 | 0 | 0 | 108.9 | M7 A10 L33 L55 N58 A59 I60 | M7-I37 HydrophobicContact CG-CG2 4.41Å; M7-I37 HydrophobicContact SD-CD1 3.72Å; M7-I37 HydrophobicContact SD-CG1 4.33Å; M7-I37 HydrophobicContact SD-CG2 3.52Å; M7-I37 VanDerWaalsContact SD-CG2 3.52Å; A10-I37 HydrophobicContact CB-CD1 3.86Å; A10-I37 HydrophobicContact CB-CG1 4.43Å; L33-I37 HydrophobicContact CD1-CD1 3.44Å; L33-I37 VanDerWaalsContact CD1-CD1 3.44Å; L33-I37 HydrophobicContact CD1-CG1 3.79Å; I37-L55 HydrophobicContact CD1-CD2 3.76Å; I37-N58 HydrophobicContact CB-CB 4.13Å; I37-N58 PolarHBondContact N-OD1 3.19Å; I37-N58 VanDerWaalsContact N-OD1 3.12Å; I37-A59 CarbonylContact O-C 3.55Å; I37-A59 VanDerWaalsContact O-C 3.22Å; I37-A59 WeakPolarHBondContact O-CA 3.32Å; I37-A59 PolarHBondContact O-N 3.27Å; I37-I60 HydrophobicContact CB-CG1 4.42Å; I37-I60 HydrophobicContact CG2-CD1 4.32Å; I37-I60 HydrophobicContact CG2-CG1 4.01Å; I37-I60 PolarHBondContact O-N 2.8Å |
| 38 | E | 87.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | trans | -97.7 | -29.2 | 176.2 | -69.9 | 177.4 | -176.4 | 0 | 0 | 113.2 | A4 A59 I60 | A4-E38 HydrophobicContact CB-CB 4.19Å; A4-E38 HydrophobicContact CB-CG 3.71Å; E38-A59 HydrophobicContact CG-CB 4.08Å; E38-I60 WeakPolarHBondContact O-CA 3.36Å | ||
| 39 | K | 86.5 | Confident | 86 | Confident | 161 Ų | 161 | 57.6 Ų | 57.6 | 70% | 0.7 | 31% | 0.313 | S | S | * | . | trans | -140.9 | 136 | -172.1 | -64.1 | -178.2 | -176.3 | 173.3 | 0 | 111.6 | ||||
| 40 | M | 84.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | trans | -78.3 | 131.7 | 169.3 | -66.7 | 176.4 | 139.2 | 0 | 0 | 110.1 | L44 L55 I60 I63 T64 N65 L66 L77 | M40-L44 HydrophobicContact CB-CD1 4.25Å; M40-L44 HydrophobicContact CE-CD1 4.32Å; M40-L44 HydrophobicContact CG-CD1 4.39Å; M40-L44 HydrophobicContact SD-CD1 4.49Å; M40-L55 HydrophobicContact CE-CD1 3.24Å; M40-I60 HydrophobicContact CG-CD1 4.37Å; M40-I60 HydrophobicContact CG-CG2 4.2Å; M40-I63 HydrophobicContact SD-CG2 4.17Å; M40-T64 VanDerWaalsContact CB-O 3.28Å; M40-T64 WeakPolarHBondContact CB-O 3.49Å; M40-T64 PolarHBondContact O-OG1 2.96Å; M40-N65 PolarHBondContact O-ND2 2.8Å; M40-N65 VanDerWaalsContact O-ND2 3.07Å; M40-L66 HydrophobicContact CE-CD2 4.06Å; M40-L66 HydrophobicContact SD-CD2 4.48Å; M40-L77 HydrophobicContact CE-CD2 3.83Å | ||
| 41 | D | 86.3 | Confident | 86.1 | Confident | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | trans | -123 | 177.7 | 179 | 68.9 | 38.2 | 0 | 0 | 0 | 111.4 | M7 S43 L44 | M7-D41 VanDerWaalsContact CB-OD1 3.32Å; M7-D41 WeakPolarHBondContact CB-OD1 3.36Å; M7-D41 WeakPolarHBondContact CB-OD2 3.25Å; M7-D41 PolarHBondContact N-OD2 2.72Å; D41-S43 PolarHBondContact O-N 3.45Å; D41-S43 WeakPolarHBondContact OD1-CA 3.37Å; D41-S43 WeakPolarHBondContact OD1-CB 3.5Å; D41-S43 PolarHBondContact OD1-N 2.9Å; D41-S43 PolarHBondContact OD1-OG 2.77Å; D41-L44 PolarHBondContact O-N 3.33Å | ||
| 42 | N | 85.1 | Confident | 86.4 | Confident | 102 Ų | 102 | 52.9 Ų | 52.9 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -66.6 | -4 | -177.9 | -65.4 | -7.7 | 0 | 0 | 0 | 113.9 | L44 N45 N65 | N42-L44 PolarHBondContact O-N 3Å; N42-N45 WeakPolarHBondContact O-CB 3.4Å; N42-N45 PolarHBondContact O-N 3.29Å; N42-N45 PolarHBondContact O-ND2 3.05Å; N42-N65 PolarHBondContact OD1-OD1 2.91Å; N42-N65 VanDerWaalsContact OD1-OD1 3.12Å |
| 43 | S | 84.9 | Confident | 86.8 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -64.9 | -20.7 | 176.1 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | I11 D41 N45 A46 | I11-S43 WeakPolarHBondContact CD1-O 3.35Å; D41-S43 PolarHBondContact O-N 3.45Å; D41-S43 WeakPolarHBondContact OD1-CA 3.37Å; D41-S43 WeakPolarHBondContact OD1-CB 3.5Å; D41-S43 PolarHBondContact OD1-N 2.9Å; D41-S43 PolarHBondContact OD1-OG 2.77Å; S43-N45 PolarHBondContact O-N 3.18Å; S43-N45 VanDerWaalsContact O-N 3.15Å; S43-A46 VanDerWaalsContact O-CB 3.3Å; S43-A46 WeakPolarHBondContact O-CB 3.3Å; S43-A46 PolarHBondContact O-N 2.84Å |
| 44 | L | 83.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -58.6 | -20.7 | 168.8 | -71.5 | 174.3 | 0 | 0 | 0 | 112.9 | M7 M40 D41 N42 A46 L47 L53 L66 | M7-L44 HydrophobicContact CE-CD1 4.11Å; M7-L44 HydrophobicContact CE-CD2 3.34Å; M7-L44 HydrophobicContact CE-CG 3.69Å; M40-L44 HydrophobicContact CB-CD1 4.25Å; M40-L44 HydrophobicContact CE-CD1 4.32Å; M40-L44 HydrophobicContact CG-CD1 4.39Å; M40-L44 HydrophobicContact SD-CD1 4.49Å; D41-L44 PolarHBondContact O-N 3.33Å; N42-L44 PolarHBondContact O-N 3Å; L44-A46 PolarHBondContact O-N 2.9Å; L44-L47 HydrophobicContact CD2-CD1 3.82Å; L44-L47 WeakPolarHBondContact O-CB 3.3Å; L44-L47 PolarHBondContact O-N 3.3Å; L44-L53 HydrophobicContact CD2-CD2 3.95Å; L44-L66 HydrophobicContact CD1-CD2 4.1Å |
| 45 | N | 84.6 | Confident | 87.6 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -63.7 | -19.2 | 174.6 | -62.1 | -9.6 | 0 | 0 | 0 | 113.4 | N42 S43 L47 A68 | N42-N45 WeakPolarHBondContact O-CB 3.4Å; N42-N45 PolarHBondContact O-N 3.29Å; N42-N45 PolarHBondContact O-ND2 3.05Å; S43-N45 PolarHBondContact O-N 3.18Å; S43-N45 VanDerWaalsContact O-N 3.15Å; N45-L47 PolarHBondContact O-N 2.72Å; N45-A68 VanDerWaalsContact CA-CB 3.49Å; N45-A68 HydrophobicContact CB-CB 3.93Å; N45-A68 WeakPolarHBondContact OD1-CB 3.36Å |
| 46 | A | 84.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 37% | 0.372 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -68.8 | -16 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P22 N23 S43 L44 A48 | P22-A46 CarbonylContact C-O 3.59Å; P22-A46 HydrophobicContact CB-CB 4.37Å; N23-A46 WeakPolarHBondContact CA-O 3.38Å; N23-A46 PolarHBondContact N-O 2.84Å; S43-A46 VanDerWaalsContact O-CB 3.3Å; S43-A46 WeakPolarHBondContact O-CB 3.3Å; S43-A46 PolarHBondContact O-N 2.84Å; L44-A46 PolarHBondContact O-N 2.9Å; A46-A48 PolarHBondContact O-N 2.88Å |
| 47 | L | 85.7 | Confident | 88 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -99.9 | 47.3 | -171.8 | -53.4 | -176.7 | 0 | 0 | 0 | 112.6 | I11 P22 V28 L44 N45 S49 C50 L53 L69 | I11-L47 HydrophobicContact CD1-CG 4.49Å; P22-L47 HydrophobicContact CB-CD2 3.54Å; P22-L47 WeakPolarHBondContact O-CD2 2.95Å; V28-L47 HydrophobicContact CB-CD1 4.27Å; V28-L47 HydrophobicContact CG1-CD1 3.89Å; V28-L47 HydrophobicContact CG1-CD2 4.34Å; V28-L47 HydrophobicContact CG2-CD1 4.2Å; V28-L47 HydrophobicContact CG2-CD2 3.94Å; L44-L47 HydrophobicContact CD2-CD1 3.82Å; L44-L47 WeakPolarHBondContact O-CB 3.3Å; L44-L47 PolarHBondContact O-N 3.3Å; N45-L47 PolarHBondContact O-N 2.72Å; L47-S49 VanDerWaalsContact C-N 3.26Å; L47-S49 PolarHBondContact O-N 3.42Å; L47-C50 HydrophobicContact CB-CB 3.81Å; L47-C50 WeakPolarHBondContact O-CB 3.26Å; L47-C50 PolarHBondContact O-N 3.34Å; L47-C50 VanDerWaalsContact O-N 3.14Å; L47-L53 HydrophobicContact CD1-CD1 4.09Å; L47-L69 HydrophobicContact CB-CD2 3.64Å; L47-L69 VanDerWaalsContact O-CD2 3.23Å; L47-L69 WeakPolarHBondContact O-CD2 3.36Å | ||
| 48 | A | 84 | Confident | 88.1 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -30.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N23 A46 N71 | N23-A48 WeakPolarHBondContact OD1-CB 3.49Å; A46-A48 PolarHBondContact O-N 2.88Å; A48-N71 PolarHBondContact O-ND2 2.89Å |
| 49 | S | 87.5 | Confident | 88.3 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.1 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | N23 A25 L47 E51 | N23-S49 WeakPolarHBondContact O-CB 3.21Å; N23-S49 PolarHBondContact O-OG 2.96Å; A25-S49 CarbonylContact O-C 3.59Å; L47-S49 VanDerWaalsContact C-N 3.26Å; L47-S49 PolarHBondContact O-N 3.42Å; S49-E51 PolarHBondContact O-N 3.4Å |
| 50 | C | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -71.2 | 120.9 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | A25 V28 L47 K52 L69 N71 L72 | A25-C50 WeakPolarHBondContact O-CA 3.44Å; A25-C50 PolarHBondContact O-N 2.86Å; V28-C50 HydrophobicContact CG2-CB 4.24Å; L47-C50 HydrophobicContact CB-CB 3.81Å; L47-C50 WeakPolarHBondContact O-CB 3.26Å; L47-C50 PolarHBondContact O-N 3.34Å; L47-C50 VanDerWaalsContact O-N 3.14Å; C50-K52 VanDerWaalsContact SG-C 3.56Å; C50-K52 PolarHBondContact SG-O 2.94Å; C50-L69 HydrophobicContact CB-CD2 4.28Å; C50-N71 CarbonylContact O-C 3.24Å; C50-L72 PolarHBondContact O-N 2.96Å | ||
| 51 | E | 93.1 | Very high | 88.7 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -97 | -27.7 | 174.6 | -61.1 | -171.8 | -149.2 | 0 | 0 | 111.7 | K26 S49 N71 K73 I74 | K26-E51 HydrophobicContact CB-CG 4.46Å; K26-E51 CarbonylContact O-C 3.36Å; K26-E51 WeakPolarHBondContact O-CA 3.23Å; K26-E51 PolarHBondContact O-N 3.48Å; S49-E51 PolarHBondContact O-N 3.4Å; E51-N71 WeakPolarHBondContact CA-O 3.4Å; E51-N71 HydrophobicContact CG-CB 4.45Å; E51-K73 PolarHBondContact O-N 2.92Å; E51-K73 WeakPolarHBondContact OE2-CE 3.15Å; E51-K73 IonicContact OE2-NZ 2.74Å; E51-K73 PolarHBondContact OE2-NZ 2.95Å; E51-I74 PolarHBondContact O-N 2.97Å |
| 52 | K | 93.4 | Very high | 88.7 | Confident | 87 Ų | 87 | 42 Ų | 42 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 112.5 | -177.3 | -56.8 | -174.6 | -175.2 | 172.5 | 0 | 110.7 | K26 E27 V28 C50 I74 | K26-K52 PolarHBondContact O-N 3.48Å; E27-K52 CarbonylContact C-O 3.42Å; E27-K52 WeakPolarHBondContact CA-O 3.46Å; E27-K52 HydrophobicContact CB-CB 4.2Å; E27-K52 HydrophobicContact CG-CB 3.96Å; E27-K52 HydrophobicContact CG-CD 4.22Å; E27-K52 IonicContact OE2-NZ 3.54Å; V28-K52 PolarHBondContact N-O 3.42Å; C50-K52 VanDerWaalsContact SG-C 3.56Å; C50-K52 PolarHBondContact SG-O 2.94Å; K52-I74 WeakPolarHBondContact CA-O 3.46Å; K52-I74 HydrophobicContact CB-CB 4.27Å; K52-I74 HydrophobicContact CD-CD1 3.91Å; K52-I74 HydrophobicContact CG-CB 3.97Å; K52-I74 HydrophobicContact CG-CD1 3.99Å; K52-I74 HydrophobicContact CG-CG1 4.08Å |
| 53 | L | 92.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.4 | 178.3 | -178.5 | 60 | 0 | 0 | 0 | 110.2 | V28 L30 L44 L47 L55 L69 L72 I74 L75 S76 | V28-L53 HydrophobicContact CB-CD1 4.07Å; V28-L53 HydrophobicContact CG1-CD1 4.03Å; L30-L53 HydrophobicContact CD1-CD1 4.4Å; L44-L53 HydrophobicContact CD2-CD2 3.95Å; L47-L53 HydrophobicContact CD1-CD1 4.09Å; L53-L55 HydrophobicContact CD1-CD1 4.36Å; L53-L55 HydrophobicContact CD1-CG 4.28Å; L53-L55 HydrophobicContact CD2-CD1 3.81Å; L53-L55 HydrophobicContact CG-CD1 3.99Å; L53-L55 HydrophobicContact CG-CG 4.2Å; L53-L69 HydrophobicContact CD2-CD1 3.68Å; L53-L72 HydrophobicContact CB-CD1 3.62Å; L53-I74 PolarHBondContact N-O 3.15Å; L53-L75 HydrophobicContact CB-CD1 4.12Å; L53-L75 HydrophobicContact CD2-CD1 4.1Å; L53-L75 HydrophobicContact CG-CD1 4.2Å; L53-L75 WeakPolarHBondContact O-CA 3.08Å; L53-S76 PolarHBondContact O-N 2.95Å |
| 54 | S | 92.9 | Very high | 89 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.5 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | V28 L30 | V28-S54 PolarHBondContact O-N 3.18Å; L30-S54 CarbonylContact C-O 3.57Å; L30-S54 VanDerWaalsContact C-O 3.28Å; L30-S54 VanDerWaalsContact CA-O 3.3Å; L30-S54 WeakPolarHBondContact CA-O 3.43Å; L30-S54 PolarHBondContact N-O 3.27Å |
| 55 | L | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -119.3 | 27.2 | 175.7 | -76.8 | 164.2 | 0 | 0 | 0 | 111.1 | M7 L30 I37 M40 L53 N58 I60 S76 L77 N80 | M7-L55 HydrophobicContact CE-CD1 4.16Å; M7-L55 HydrophobicContact CE-CD2 3.81Å; M7-L55 HydrophobicContact SD-CD2 4.17Å; L30-L55 HydrophobicContact CB-CD2 3.59Å; L30-L55 HydrophobicContact CB-CG 4.41Å; L30-L55 HydrophobicContact CD1-CD2 3.94Å; L30-L55 HydrophobicContact CG-CD2 4.37Å; I37-L55 HydrophobicContact CD1-CD2 3.76Å; M40-L55 HydrophobicContact CE-CD1 3.24Å; L53-L55 HydrophobicContact CD1-CD1 4.36Å; L53-L55 HydrophobicContact CD1-CG 4.28Å; L53-L55 HydrophobicContact CD2-CD1 3.81Å; L53-L55 HydrophobicContact CG-CD1 3.99Å; L53-L55 HydrophobicContact CG-CG 4.2Å; L55-N58 PolarHBondContact O-ND2 2.96Å; L55-I60 HydrophobicContact CB-CD1 3.94Å; L55-I60 HydrophobicContact CD1-CD1 4.25Å; L55-I60 HydrophobicContact CD2-CD1 4.31Å; L55-I60 HydrophobicContact CG-CD1 4.42Å; L55-S76 WeakPolarHBondContact CA-O 3.5Å; L55-S76 PolarHBondContact N-O 2.95Å; L55-L77 HydrophobicContact CB-CD2 3.71Å; L55-L77 HydrophobicContact CD1-CD2 4.14Å; L55-N80 PolarHBondContact O-ND2 3.17Å | ||
| 56 | A | 91.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 37 Ų | 37 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | trans | -65 | 151.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y31 G32 N58 S78 | Y31-A56 CarbonylContact C-O 3.5Å; Y31-A56 WeakPolarHBondContact CA-O 3.5Å; Y31-A56 VanDerWaalsContact CB-O 3.23Å; Y31-A56 WeakPolarHBondContact CB-O 3.23Å; G32-A56 PolarHBondContact N-O 3.3Å; A56-N58 PolarHBondContact O-ND2 2.85Å; A56-S78 CarbonylContact C-O 3.4Å; A56-S78 WeakPolarHBondContact CA-O 3.31Å; A56-S78 WeakPolarHBondContact CB-O 3.46Å | ||
| 57 | T | 91.4 | Very high | 88.8 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 58.3 | 54.8 | 177.6 | -45.5 | 0 | 0 | 0 | 0 | 111.5 | G32 S78 R79 | G32-T57 WeakPolarHBondContact CA-O 3.37Å; G32-T57 PolarHBondContact N-O 2.93Å; T57-S78 PolarHBondContact N-O 3.26Å; T57-R79 VanDerWaalsContact CA-O 3.25Å; T57-R79 WeakPolarHBondContact CA-O 3.41Å; T57-R79 PolarHBondContact N-O 3.11Å |
| 58 | N | 90.8 | Very high | 88.5 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -128.6 | -174.1 | 172.1 | -75.7 | -64.7 | 0 | 0 | 0 | 108.7 | L30 I37 L55 A56 I60 R79 N80 | L30-N58 PolarHBondContact O-ND2 3.35Å; I37-N58 HydrophobicContact CB-CB 4.13Å; I37-N58 PolarHBondContact N-OD1 3.19Å; I37-N58 VanDerWaalsContact N-OD1 3.12Å; L55-N58 PolarHBondContact O-ND2 2.96Å; A56-N58 PolarHBondContact O-ND2 2.85Å; N58-I60 HydrophobicContact CB-CD1 4.25Å; N58-I60 HydrophobicContact CB-CG1 4.07Å; N58-R79 PolarHBondContact N-O 3.45Å; N58-R79 VanDerWaalsContact N-O 3.16Å; N58-N80 WeakPolarHBondContact CA-OD1 3.4Å; N58-N80 WeakPolarHBondContact CB-OD1 3.44Å; N58-N80 PolarHBondContact O-OD1 2.87Å; N58-N80 VanDerWaalsContact O-OD1 3.13Å |
| 59 | A | 91.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | trans | -111.2 | 31.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P36 I37 E38 E61 | P36-A59 HydrophobicContact CB-CB 4.05Å; P36-A59 HydrophobicContact CG-CB 4.08Å; I37-A59 CarbonylContact O-C 3.55Å; I37-A59 VanDerWaalsContact O-C 3.22Å; I37-A59 WeakPolarHBondContact O-CA 3.32Å; I37-A59 PolarHBondContact O-N 3.27Å; E38-A59 HydrophobicContact CG-CB 4.08Å; A59-E61 PolarHBondContact O-N 3.26Å | ||
| 60 | I | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -68.8 | 123.6 | -174.4 | -59.2 | 169.5 | 0 | 0 | 0 | 109.6 | I37 E38 M40 L55 N58 K62 L77 N80 N81 I82 | I37-I60 HydrophobicContact CB-CG1 4.42Å; I37-I60 HydrophobicContact CG2-CD1 4.32Å; I37-I60 HydrophobicContact CG2-CG1 4.01Å; I37-I60 PolarHBondContact O-N 2.8Å; E38-I60 WeakPolarHBondContact O-CA 3.36Å; M40-I60 HydrophobicContact CG-CD1 4.37Å; M40-I60 HydrophobicContact CG-CG2 4.2Å; L55-I60 HydrophobicContact CB-CD1 3.94Å; L55-I60 HydrophobicContact CD1-CD1 4.25Å; L55-I60 HydrophobicContact CD2-CD1 4.31Å; L55-I60 HydrophobicContact CG-CD1 4.42Å; N58-I60 HydrophobicContact CB-CD1 4.25Å; N58-I60 HydrophobicContact CB-CG1 4.07Å; I60-K62 WeakPolarHBondContact CG2-O 3.45Å; I60-L77 HydrophobicContact CD1-CD2 4.09Å; I60-N80 HydrophobicContact CB-CB 4.3Å; I60-N80 VanDerWaalsContact CB-OD1 3.29Å; I60-N80 WeakPolarHBondContact CB-OD1 3.45Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.34Å; I60-N80 PolarHBondContact N-OD1 2.84Å; I60-N81 CarbonylContact O-C 3.33Å; I60-N81 VanDerWaalsContact O-C 3.23Å; I60-N81 WeakPolarHBondContact O-CA 3.2Å; I60-N81 PolarHBondContact O-N 3.16Å; I60-I82 HydrophobicContact CG2-CG1 4.45Å; I60-I82 WeakPolarHBondContact O-CG1 3.44Å; I60-I82 PolarHBondContact O-N 2.74Å | ||
| 61 | E | 88.9 | Confident | 88.2 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 50% | 0.495 | 25% | 0.25 | S | C | . | . | trans | -94.7 | -28.1 | 179.3 | -63.4 | -173.8 | 176.6 | 0 | 0 | 113.6 | A59 N81 | A59-E61 PolarHBondContact O-N 3.26Å; E61-N81 HydrophobicContact CG-CB 4.19Å | ||
| 62 | K | 87.3 | Confident | 88.2 | Confident | 154 Ų | 154 | 46.1 Ų | 46.1 | 67% | 0.67 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -140.1 | 138.2 | -174 | -65.2 | -174.2 | -178.5 | -179.5 | 0 | 110.9 | I60 | I60-K62 WeakPolarHBondContact CG2-O 3.45Š|
| 63 | I | 87.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | trans | -85.8 | 115.8 | 173.7 | -54.4 | 174.9 | 0 | 0 | 0 | 107.7 | M40 L66 L77 I82 L88 | M40-I63 HydrophobicContact SD-CG2 4.17Å; I63-L66 HydrophobicContact CG2-CD1 3.37Å; I63-L66 HydrophobicContact CG2-CG 4.07Å; I63-L77 HydrophobicContact CD1-CD1 3.72Å; I63-L77 HydrophobicContact CG1-CD1 3.96Å; I63-I82 HydrophobicContact CD1-CD1 4.17Å; I63-I82 HydrophobicContact CD1-CG2 4.14Å; I63-I82 HydrophobicContact CG1-CD1 3.93Å; I63-I82 HydrophobicContact CG1-CG1 4.45Å; I63-I82 HydrophobicContact CG1-CG2 4.15Å; I63-L88 HydrophobicContact CD1-CD1 3.97Å; I63-L88 HydrophobicContact CD1-CD2 4.12Å; I63-L88 HydrophobicContact CD1-CG 3.9Å; I63-L88 HydrophobicContact CG2-CD2 3.92Å; I63-L88 HydrophobicContact CG2-CG 4.21Å | ||
| 64 | T | 86.9 | Confident | 88.3 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | trans | -146.1 | 159.7 | 179.4 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | M40 L66 | M40-T64 VanDerWaalsContact CB-O 3.28Å; M40-T64 WeakPolarHBondContact CB-O 3.49Å; M40-T64 PolarHBondContact O-OG1 2.96Å; T64-L66 PolarHBondContact O-N 3.16Å | ||
| 65 | N | 83.9 | Confident | 88.3 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | trans | 64.7 | 35.1 | 171.8 | -52.6 | -46.1 | 0 | 0 | 0 | 115.1 | M40 N42 N67 | M40-N65 PolarHBondContact O-ND2 2.8Å; M40-N65 VanDerWaalsContact O-ND2 3.07Å; N42-N65 PolarHBondContact OD1-OD1 2.91Å; N42-N65 VanDerWaalsContact OD1-OD1 3.12Å; N65-N67 VanDerWaalsContact C-N 3.3Å | ||
| 66 | L | 82.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -86.4 | 1.9 | 173.2 | -60.5 | 177.5 | 0 | 0 | 0 | 113.8 | M40 L44 I63 T64 A68 L69 L75 L88 V91 | M40-L66 HydrophobicContact CE-CD2 4.06Å; M40-L66 HydrophobicContact SD-CD2 4.48Å; L44-L66 HydrophobicContact CD1-CD2 4.1Å; I63-L66 HydrophobicContact CG2-CD1 3.37Å; I63-L66 HydrophobicContact CG2-CG 4.07Å; T64-L66 PolarHBondContact O-N 3.16Å; L66-A68 PolarHBondContact O-N 3.16Å; L66-A68 VanDerWaalsContact O-N 3.1Å; L66-L69 HydrophobicContact CD2-CD1 3.6Å; L66-L69 WeakPolarHBondContact O-CB 3.38Å; L66-L69 PolarHBondContact O-N 3.1Å; L66-L75 HydrophobicContact CD1-CD2 4.17Å; L66-L88 HydrophobicContact CD1-CD2 3.61Å; L66-V91 HydrophobicContact CB-CG1 3.87Å; L66-V91 HydrophobicContact CD1-CG2 4.06Å | ||
| 67 | N | 81.5 | Confident | 88.6 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.7 | -169.6 | -54.6 | -11.5 | 0 | 0 | 0 | 114.2 | N65 T90 | N65-N67 VanDerWaalsContact C-N 3.3Å; N67-T90 WeakPolarHBondContact OD1-CG2 3.4Å; N67-T90 PolarHBondContact OD1-OG1 2.77Å; N67-T90 VanDerWaalsContact OD1-OG1 3.11Å |
| 68 | A | 80.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 44 Ų | 44 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N45 L66 K70 | N45-A68 VanDerWaalsContact CA-CB 3.49Å; N45-A68 HydrophobicContact CB-CB 3.93Å; N45-A68 WeakPolarHBondContact OD1-CB 3.36Å; L66-A68 PolarHBondContact O-N 3.16Å; L66-A68 VanDerWaalsContact O-N 3.1Å; A68-K70 PolarHBondContact O-N 3.16Å |
| 69 | L | 85.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -86.3 | 57.5 | -173.3 | -56.8 | 177.1 | 0 | 0 | 0 | 111.6 | L47 C50 L53 L66 N71 L72 V91 | L47-L69 HydrophobicContact CB-CD2 3.64Å; L47-L69 VanDerWaalsContact O-CD2 3.23Å; L47-L69 WeakPolarHBondContact O-CD2 3.36Å; C50-L69 HydrophobicContact CB-CD2 4.28Å; L53-L69 HydrophobicContact CD2-CD1 3.68Å; L66-L69 HydrophobicContact CD2-CD1 3.6Å; L66-L69 WeakPolarHBondContact O-CB 3.38Å; L66-L69 PolarHBondContact O-N 3.1Å; L69-N71 PolarHBondContact O-N 2.77Å; L69-N71 VanDerWaalsContact O-N 3.15Å; L69-L72 HydrophobicContact CB-CB 4.01Å; L69-L72 HydrophobicContact CB-CD2 4.38Å; L69-L72 HydrophobicContact CD1-CD2 4.09Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.98Å; L69-V91 HydrophobicContact CB-CG1 4.4Å | ||
| 70 | K | 82.8 | Confident | 88.9 | Confident | 155 Ų | 155 | 49.7 Ų | 49.7 | 67% | 0.674 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.8 | -175.2 | -64.4 | -175.7 | 179.2 | -177.7 | 0 | 114 | A68 T94 | A68-K70 PolarHBondContact O-N 3.16Å; K70-T94 WeakPolarHBondContact O-CG2 3.49Å |
| 71 | N | 87.3 | Confident | 89 | Confident | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 6.5 | -179.4 | -64.2 | -57.3 | 0 | 0 | 0 | 113.1 | A48 C50 E51 L69 K73 | A48-N71 PolarHBondContact O-ND2 2.89Å; C50-N71 CarbonylContact O-C 3.24Å; E51-N71 WeakPolarHBondContact CA-O 3.4Å; E51-N71 HydrophobicContact CG-CB 4.45Å; L69-N71 PolarHBondContact O-N 2.77Å; L69-N71 VanDerWaalsContact O-N 3.15Å; N71-K73 PolarHBondContact O-N 3.33Å |
| 72 | L | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -66.6 | 119.3 | -174.5 | -167.1 | 69.4 | 0 | 0 | 0 | 111.1 | C50 L53 L69 I74 L75 V91 T94 L95 | C50-L72 PolarHBondContact O-N 2.96Å; L53-L72 HydrophobicContact CB-CD1 3.62Å; L69-L72 HydrophobicContact CB-CB 4.01Å; L69-L72 HydrophobicContact CB-CD2 4.38Å; L69-L72 HydrophobicContact CD1-CD2 4.09Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.98Å; L72-I74 WeakPolarHBondContact CD1-O 3.2Å; L72-L75 HydrophobicContact CD2-CB 4.07Å; L72-L75 HydrophobicContact CD2-CD1 4.28Å; L72-L75 HydrophobicContact CD2-CD2 4.28Å; L72-L75 HydrophobicContact CD2-CG 4.45Å; L72-V91 HydrophobicContact CB-CG1 4.44Å; L72-V91 HydrophobicContact CD2-CG1 4.2Å; L72-T94 CarbonylContact O-C 3.33Å; L72-T94 WeakPolarHBondContact O-CB 3.25Å; L72-T94 PolarHBondContact O-OG1 2.88Å; L72-L95 HydrophobicContact CD2-CD1 4.2Å; L72-L95 HydrophobicContact CG-CD1 4.16Å; L72-L95 WeakPolarHBondContact O-CA 3.47Å; L72-L95 PolarHBondContact O-N 2.99Å | ||
| 73 | K | 93.8 | Very high | 89.3 | Confident | 95 Ų | 95 | 46.6 Ų | 46.6 | 41% | 0.413 | 23% | 0.228 | S | C | . | . | trans | -106.9 | -35.4 | 177 | -66.1 | 174.3 | -171.9 | 163.4 | 0 | 111.7 | E51 N71 V96 E97 | E51-K73 PolarHBondContact O-N 2.92Å; E51-K73 WeakPolarHBondContact OE2-CE 3.15Å; E51-K73 IonicContact OE2-NZ 2.74Å; E51-K73 PolarHBondContact OE2-NZ 2.95Å; N71-K73 PolarHBondContact O-N 3.33Å; K73-V96 HydrophobicContact CB-CG2 4.37Å; K73-V96 WeakPolarHBondContact O-CA 3.19Å; K73-V96 PolarHBondContact O-N 3.44Å; K73-E97 PolarHBondContact O-N 3.08Å | ||
| 74 | I | 94.7 | Very high | 89.3 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.7 | -177.3 | -52 | -174.1 | 0 | 0 | 0 | 109.4 | E51 K52 L53 L72 E97 W99 | E51-I74 PolarHBondContact O-N 2.97Å; K52-I74 WeakPolarHBondContact CA-O 3.46Å; K52-I74 HydrophobicContact CB-CB 4.27Å; K52-I74 HydrophobicContact CD-CD1 3.91Å; K52-I74 HydrophobicContact CG-CB 3.97Å; K52-I74 HydrophobicContact CG-CD1 3.99Å; K52-I74 HydrophobicContact CG-CG1 4.08Å; L53-I74 PolarHBondContact N-O 3.15Å; L72-I74 WeakPolarHBondContact CD1-O 3.2Å; I74-E97 WeakPolarHBondContact CA-O 3.38Å; I74-E97 HydrophobicContact CB-CB 4.41Å; I74-E97 HydrophobicContact CG1-CB 4.11Å; I74-E97 HydrophobicContact CG1-CG 4.22Å; I74-E97 HydrophobicContact CG2-CB 4.13Å; I74-W99 HydrophobicContact CG2-CZ2 4.49Å |
| 75 | L | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116 | 176.2 | -179.8 | 56.7 | 0 | 0 | 0 | 110.1 | L53 L66 L72 L77 L88 L95 E97 L98 W99 | L53-L75 HydrophobicContact CB-CD1 4.12Å; L53-L75 HydrophobicContact CD2-CD1 4.1Å; L53-L75 HydrophobicContact CG-CD1 4.2Å; L53-L75 WeakPolarHBondContact O-CA 3.08Å; L66-L75 HydrophobicContact CD1-CD2 4.17Å; L72-L75 HydrophobicContact CD2-CB 4.07Å; L72-L75 HydrophobicContact CD2-CD1 4.28Å; L72-L75 HydrophobicContact CD2-CD2 4.28Å; L72-L75 HydrophobicContact CD2-CG 4.45Å; L75-L77 HydrophobicContact CD1-CD1 4.14Å; L75-L77 HydrophobicContact CD1-CG 3.99Å; L75-L77 HydrophobicContact CD2-CD1 3.73Å; L75-L77 HydrophobicContact CD2-CG 4.43Å; L75-L77 HydrophobicContact CG-CD1 3.84Å; L75-L77 HydrophobicContact CG-CG 4.01Å; L75-L88 HydrophobicContact CD2-CD2 3.51Å; L75-L95 HydrophobicContact CB-CD1 3.61Å; L75-L95 HydrophobicContact CB-CD2 4.47Å; L75-E97 PolarHBondContact N-O 2.93Å; L75-L98 HydrophobicContact CB-CD1 4.03Å; L75-L98 HydrophobicContact CD2-CD1 4Å; L75-L98 HydrophobicContact CG-CD1 4.05Å; L75-W99 PolarHBondContact O-N 3.35Å |
| 76 | S | 94.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.2 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | L53 L55 | L53-S76 PolarHBondContact O-N 2.95Å; L55-S76 WeakPolarHBondContact CA-O 3.5Å; L55-S76 PolarHBondContact N-O 2.95Å |
| 77 | L | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -126 | 25.7 | 176.9 | -71.8 | 166.8 | 0 | 0 | 0 | 110.7 | M40 L55 I60 I63 L75 N80 I82 W99 I100 N103 | M40-L77 HydrophobicContact CE-CD2 3.83Å; L55-L77 HydrophobicContact CB-CD2 3.71Å; L55-L77 HydrophobicContact CD1-CD2 4.14Å; I60-L77 HydrophobicContact CD1-CD2 4.09Å; I63-L77 HydrophobicContact CD1-CD1 3.72Å; I63-L77 HydrophobicContact CG1-CD1 3.96Å; L75-L77 HydrophobicContact CD1-CD1 4.14Å; L75-L77 HydrophobicContact CD1-CG 3.99Å; L75-L77 HydrophobicContact CD2-CD1 3.73Å; L75-L77 HydrophobicContact CD2-CG 4.43Å; L75-L77 HydrophobicContact CG-CD1 3.84Å; L75-L77 HydrophobicContact CG-CG 4.01Å; L77-N80 VanDerWaalsContact C-ND2 3.32Å; L77-N80 PolarHBondContact O-ND2 3.42Å; L77-I82 HydrophobicContact CB-CD1 3.72Å; L77-I82 HydrophobicContact CD1-CD1 3.87Å; L77-I82 HydrophobicContact CD2-CD1 4.2Å; L77-I82 HydrophobicContact CG-CD1 4.15Å; L77-W99 CarbonylContact C-O 3.47Å; L77-W99 WeakPolarHBondContact CA-O 3.48Å; L77-W99 PolarHBondContact N-O 3.03Å; L77-I100 HydrophobicContact CB-CG2 4.08Å; L77-N103 PolarHBondContact O-ND2 3.12Å | ||
| 78 | S | 93.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | trans | -66.5 | 147.8 | -177.7 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | A56 T57 N80 W99 S101 | A56-S78 CarbonylContact C-O 3.4Å; A56-S78 WeakPolarHBondContact CA-O 3.31Å; A56-S78 WeakPolarHBondContact CB-O 3.46Å; T57-S78 PolarHBondContact N-O 3.26Å; S78-N80 PolarHBondContact O-ND2 3.15Å; S78-W99 PolarHBondContact N-O 3.12Å; S78-W99 VanDerWaalsContact N-O 3.12Å; S78-W99 PolarHBondContact OG-O 3.18Å; S78-W99 VanDerWaalsContact OG-O 3.13Å; S78-S101 CarbonylContact C-O 3.21Å; S78-S101 WeakPolarHBondContact CA-O 3.32Å; S78-S101 WeakPolarHBondContact CB-O 3.32Å; S78-S101 PolarHBondContact OG-N 2.85Å | ||
| 79 | R | 93.1 | Very high | 89.9 | Confident | 146 Ų | 146 | 47.3 Ų | 47.3 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 56.4 | 60.3 | -176.4 | -62 | 176.5 | 173.6 | -105.3 | -2 | 111.9 | T57 N58 S101 Y102 | T57-R79 VanDerWaalsContact CA-O 3.25Å; T57-R79 WeakPolarHBondContact CA-O 3.41Å; T57-R79 PolarHBondContact N-O 3.11Å; N58-R79 PolarHBondContact N-O 3.45Å; N58-R79 VanDerWaalsContact N-O 3.16Å; R79-S101 PolarHBondContact N-O 2.9Å; R79-Y102 WeakPolarHBondContact CA-O 3.35Å; R79-Y102 HydrophobicContact CG-CD2 4.28Å; R79-Y102 HydrophobicContact CG-CG 4.16Å; R79-Y102 PolarHBondContact N-O 2.64Å |
| 80 | N | 93.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -131 | -176.8 | 172 | -81.2 | -78.5 | 0 | 0 | 0 | 109.5 | L55 N58 I60 L77 S78 I82 Y102 N103 | L55-N80 PolarHBondContact O-ND2 3.17Å; N58-N80 WeakPolarHBondContact CA-OD1 3.4Å; N58-N80 WeakPolarHBondContact CB-OD1 3.44Å; N58-N80 PolarHBondContact O-OD1 2.87Å; N58-N80 VanDerWaalsContact O-OD1 3.13Å; I60-N80 HydrophobicContact CB-CB 4.3Å; I60-N80 VanDerWaalsContact CB-OD1 3.29Å; I60-N80 WeakPolarHBondContact CB-OD1 3.45Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.34Å; I60-N80 PolarHBondContact N-OD1 2.84Å; L77-N80 VanDerWaalsContact C-ND2 3.32Å; L77-N80 PolarHBondContact O-ND2 3.42Å; S78-N80 PolarHBondContact O-ND2 3.15Å; N80-I82 HydrophobicContact CB-CD1 4.12Å; N80-I82 HydrophobicContact CB-CG1 4.02Å; N80-Y102 PolarHBondContact N-O 3.21Å; N80-N103 WeakPolarHBondContact CA-OD1 3.17Å; N80-N103 WeakPolarHBondContact CB-OD1 2.97Å; N80-N103 PolarHBondContact N-OD1 3.47Å; N80-N103 PolarHBondContact O-OD1 3.49Å |
| 81 | N | 92.6 | Very high | 90.1 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | trans | -107 | 31 | -180 | -67.6 | -25.9 | 0 | 0 | 0 | 111.8 | I60 E61 K83 L104 | I60-N81 CarbonylContact O-C 3.33Å; I60-N81 VanDerWaalsContact O-C 3.23Å; I60-N81 WeakPolarHBondContact O-CA 3.2Å; I60-N81 PolarHBondContact O-N 3.16Å; E61-N81 HydrophobicContact CG-CB 4.19Å; N81-K83 PolarHBondContact O-N 3.12Å; N81-L104 HydrophobicContact CB-CD1 4.41Å | ||
| 82 | I | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -71.8 | 130 | -174.3 | -59.9 | 168.2 | 0 | 0 | 0 | 109.4 | I60 I63 L77 N80 S84 N103 L104 I105 | I60-I82 HydrophobicContact CG2-CG1 4.45Å; I60-I82 WeakPolarHBondContact O-CG1 3.44Å; I60-I82 PolarHBondContact O-N 2.74Å; I63-I82 HydrophobicContact CD1-CD1 4.17Å; I63-I82 HydrophobicContact CD1-CG2 4.14Å; I63-I82 HydrophobicContact CG1-CD1 3.93Å; I63-I82 HydrophobicContact CG1-CG1 4.45Å; I63-I82 HydrophobicContact CG1-CG2 4.15Å; L77-I82 HydrophobicContact CB-CD1 3.72Å; L77-I82 HydrophobicContact CD1-CD1 3.87Å; L77-I82 HydrophobicContact CD2-CD1 4.2Å; L77-I82 HydrophobicContact CG-CD1 4.15Å; N80-I82 HydrophobicContact CB-CD1 4.12Å; N80-I82 HydrophobicContact CB-CG1 4.02Å; I82-S84 WeakPolarHBondContact CG2-O 3.48Å; I82-N103 HydrophobicContact CB-CB 4.36Å; I82-N103 VanDerWaalsContact CB-OD1 3.28Å; I82-N103 WeakPolarHBondContact CB-OD1 3.29Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.16Å; I82-N103 PolarHBondContact N-OD1 3.15Å; I82-L104 CarbonylContact O-C 3.6Å; I82-L104 WeakPolarHBondContact O-CA 3.49Å; I82-L104 PolarHBondContact O-N 3.25Å; I82-I105 HydrophobicContact CG2-CD1 4.47Å; I82-I105 HydrophobicContact CG2-CG1 4.32Å; I82-I105 WeakPolarHBondContact O-CG1 3.28Å; I82-I105 PolarHBondContact O-N 3.13Å | ||
| 83 | K | 89.4 | Confident | 89.8 | Confident | 124 Ų | 124 | 44.1 Ų | 44.1 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | trans | -102.2 | -19.3 | 179.6 | -64.2 | 177.5 | -177.6 | 175.4 | 0 | 113.9 | N81 L104 | N81-K83 PolarHBondContact O-N 3.12Å; K83-L104 HydrophobicContact CG-CB 4.18Å | ||
| 84 | S | 87.7 | Confident | 89.7 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -153.1 | 152.8 | -175.3 | -173 | 0 | 0 | 0 | 0 | 111.5 | I82 V86 | I82-S84 WeakPolarHBondContact CG2-O 3.48Å; S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 WeakPolarHBondContact OG-CG2 3.44Å |
| 85 | L | 87.1 | Confident | 89.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -86.9 | 4.8 | 178 | -64.2 | 173.3 | 0 | 0 | 0 | 113.7 | G87 L88 L98 I100 I105 L108 V111 | L85-G87 PolarHBondContact O-N 3.4Å; L85-L88 HydrophobicContact CB-CD1 4.14Å; L85-L88 HydrophobicContact CD2-CD1 3.73Å; L85-L88 PolarHBondContact O-N 3.24Å; L85-L98 HydrophobicContact CD2-CD2 4.3Å; L85-I100 HydrophobicContact CD1-CD1 4.29Å; L85-I100 HydrophobicContact CD2-CD1 3.61Å; L85-I100 HydrophobicContact CD2-CG2 4.46Å; L85-I100 HydrophobicContact CG-CD1 4.49Å; L85-I105 HydrophobicContact CD2-CD1 3.96Å; L85-I105 HydrophobicContact CG-CD1 4.37Å; L85-L108 HydrophobicContact CD1-CD2 3.64Å; L85-V111 HydrophobicContact CD1-CB 4.05Å; L85-V111 HydrophobicContact CD1-CG2 4.07Å | ||
| 86 | V | 86.2 | Confident | 89.7 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131.8 | 172.9 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | S84 | S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 WeakPolarHBondContact OG-CG2 3.44Å |
| 87 | G | 82.9 | Confident | 89.7 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | -5.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L85 E89 | L85-G87 PolarHBondContact O-N 3.4Å; G87-E89 VanDerWaalsContact C-N 3.34Å |
| 88 | L | 86 | Confident | 89.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -85.4 | -4.8 | 172.3 | -69.1 | 173.5 | 0 | 0 | 0 | 114 | I63 L66 L75 L85 T90 V91 G92 L98 L114 | I63-L88 HydrophobicContact CD1-CD1 3.97Å; I63-L88 HydrophobicContact CD1-CD2 4.12Å; I63-L88 HydrophobicContact CD1-CG 3.9Å; I63-L88 HydrophobicContact CG2-CD2 3.92Å; I63-L88 HydrophobicContact CG2-CG 4.21Å; L66-L88 HydrophobicContact CD1-CD2 3.61Å; L75-L88 HydrophobicContact CD2-CD2 3.51Å; L85-L88 HydrophobicContact CB-CD1 4.14Å; L85-L88 HydrophobicContact CD2-CD1 3.73Å; L85-L88 PolarHBondContact O-N 3.24Å; L88-T90 PolarHBondContact O-N 2.59Å; L88-V91 HydrophobicContact CB-CG2 4.38Å; L88-V91 HydrophobicContact CD2-CG2 3.97Å; L88-V91 VanDerWaalsContact O-CG2 3.25Å; L88-V91 WeakPolarHBondContact O-CG2 3.09Å; L88-V91 PolarHBondContact O-N 3.05Å; L88-V91 VanDerWaalsContact O-N 3.08Å; L88-G92 PolarHBondContact O-N 2.75Å; L88-G92 VanDerWaalsContact O-N 3.15Å; L88-L98 HydrophobicContact CD1-CD1 4.44Å; L88-L98 HydrophobicContact CD1-CD2 3.74Å; L88-L114 HydrophobicContact CB-CD2 3.98Å; L88-L114 HydrophobicContact CD1-CD1 4.29Å | ||
| 89 | E | 86.1 | Confident | 89.8 | Confident | 117 Ų | 117 | 47.5 Ų | 47.5 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -55.8 | -37 | -176.7 | -60.8 | 174.7 | 178.8 | 0 | 0 | 112.3 | G87 V91 G92 | G87-E89 VanDerWaalsContact C-N 3.34Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.44Å; E89-G92 PolarHBondContact O-N 2.96Å |
| 90 | T | 85.1 | Confident | 89.9 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -74.2 | -17.5 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | N67 L88 | N67-T90 WeakPolarHBondContact OD1-CG2 3.4Å; N67-T90 PolarHBondContact OD1-OG1 2.77Å; N67-T90 VanDerWaalsContact OD1-OG1 3.11Å; L88-T90 PolarHBondContact O-N 2.59Å |
| 91 | V | 87.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -108.8 | 5.4 | 175.3 | -63 | 0 | 0 | 0 | 0 | 112.2 | L66 L69 L72 L88 E89 D93 T94 L95 | L66-V91 HydrophobicContact CB-CG1 3.87Å; L66-V91 HydrophobicContact CD1-CG2 4.06Å; L69-V91 HydrophobicContact CB-CG1 4.4Å; L72-V91 HydrophobicContact CB-CG1 4.44Å; L72-V91 HydrophobicContact CD2-CG1 4.2Å; L88-V91 HydrophobicContact CB-CG2 4.38Å; L88-V91 HydrophobicContact CD2-CG2 3.97Å; L88-V91 VanDerWaalsContact O-CG2 3.25Å; L88-V91 WeakPolarHBondContact O-CG2 3.09Å; L88-V91 PolarHBondContact O-N 3.05Å; L88-V91 VanDerWaalsContact O-N 3.08Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.44Å; V91-D93 VanDerWaalsContact C-N 3.25Å; V91-D93 PolarHBondContact O-N 3.24Å; V91-T94 PolarHBondContact O-N 3.31Å; V91-T94 VanDerWaalsContact O-N 3.16Å; V91-T94 PolarHBondContact O-OG1 3.3Å; V91-L95 HydrophobicContact CG2-CD2 4.47Å; V91-L95 WeakPolarHBondContact O-CB 3.22Å; V91-L95 PolarHBondContact O-N 2.84Å |
| 92 | G | 85.6 | Confident | 90 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L88 E89 T94 S113 H115 | L88-G92 PolarHBondContact O-N 2.75Å; L88-G92 VanDerWaalsContact O-N 3.15Å; E89-G92 PolarHBondContact O-N 2.96Å; G92-T94 VanDerWaalsContact C-N 3.33Å; G92-S113 VanDerWaalsContact CA-O 3.29Å; G92-S113 WeakPolarHBondContact CA-O 3.47Å; G92-H115 PolarHBondContact O-N 2.93Å |
| 93 | D | 87.4 | Confident | 90.1 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.2 | 179.3 | -66.6 | -39.3 | 0 | 0 | 0 | 114 | V91 H115 K116 | V91-D93 VanDerWaalsContact C-N 3.25Å; V91-D93 PolarHBondContact O-N 3.24Å; D93-H115 IonicContact OD1-CD2 3.49Å; D93-K116 WeakPolarHBondContact O-CD 3.41Å; D93-K116 WeakPolarHBondContact O-CE 3.47Å; D93-K116 PolarHBondContact O-NZ 3.33Å |
| 94 | T | 91.3 | Very high | 90.3 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -29.1 | -172.9 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | K70 L72 V91 G92 V96 | K70-T94 WeakPolarHBondContact O-CG2 3.49Å; L72-T94 CarbonylContact O-C 3.33Å; L72-T94 WeakPolarHBondContact O-CB 3.25Å; L72-T94 PolarHBondContact O-OG1 2.88Å; V91-T94 PolarHBondContact O-N 3.31Å; V91-T94 VanDerWaalsContact O-N 3.16Å; V91-T94 PolarHBondContact O-OG1 3.3Å; G92-T94 VanDerWaalsContact C-N 3.33Å; T94-V96 PolarHBondContact O-N 3.42Å |
| 95 | L | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -69.7 | 124.9 | -176.7 | -164.6 | 71 | 0 | 0 | 0 | 111.6 | L72 L75 V91 L98 L114 K116 L117 | L72-L95 HydrophobicContact CD2-CD1 4.2Å; L72-L95 HydrophobicContact CG-CD1 4.16Å; L72-L95 WeakPolarHBondContact O-CA 3.47Å; L72-L95 PolarHBondContact O-N 2.99Å; L75-L95 HydrophobicContact CB-CD1 3.61Å; L75-L95 HydrophobicContact CB-CD2 4.47Å; V91-L95 HydrophobicContact CG2-CD2 4.47Å; V91-L95 WeakPolarHBondContact O-CB 3.22Å; V91-L95 PolarHBondContact O-N 2.84Å; L95-L98 HydrophobicContact CD2-CB 4.02Å; L95-L98 HydrophobicContact CD2-CD1 4.16Å; L95-L98 HydrophobicContact CD2-CD2 4.42Å; L95-L98 HydrophobicContact CD2-CG 4.43Å; L95-L114 HydrophobicContact CD2-CD2 4.03Å; L95-K116 CarbonylContact O-C 3.44Å; L95-L117 HydrophobicContact CD2-CD1 4.18Å; L95-L117 HydrophobicContact CG-CD1 4.17Å; L95-L117 WeakPolarHBondContact O-CA 3.44Å; L95-L117 PolarHBondContact O-N 2.9Å | ||
| 96 | V | 94.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | trans | -107.1 | -37.1 | -179.8 | -178 | 0 | 0 | 0 | 0 | 110.8 | K73 T94 K118 V119 | K73-V96 HydrophobicContact CB-CG2 4.37Å; K73-V96 WeakPolarHBondContact O-CA 3.19Å; K73-V96 PolarHBondContact O-N 3.44Å; T94-V96 PolarHBondContact O-N 3.42Å; V96-K118 HydrophobicContact CG1-CB 4.05Å; V96-K118 HydrophobicContact CG1-CD 3.94Å; V96-K118 HydrophobicContact CG1-CG 4.02Å; V96-K118 PolarHBondContact O-N 3.14Å; V96-V119 PolarHBondContact O-N 3.07Å; V96-V119 VanDerWaalsContact O-N 3.08Å | ||
| 97 | E | 95.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.2 | -178.6 | -52.6 | -173.7 | -158.5 | 0 | 0 | 111.3 | K73 I74 L75 V119 | K73-E97 PolarHBondContact O-N 3.08Å; I74-E97 WeakPolarHBondContact CA-O 3.38Å; I74-E97 HydrophobicContact CB-CB 4.41Å; I74-E97 HydrophobicContact CG1-CB 4.11Å; I74-E97 HydrophobicContact CG1-CG 4.22Å; I74-E97 HydrophobicContact CG2-CB 4.13Å; L75-E97 PolarHBondContact N-O 2.93Å; E97-V119 WeakPolarHBondContact CA-O 3.14Å; E97-V119 HydrophobicContact CB-CB 4.21Å; E97-V119 HydrophobicContact CG-CB 3.94Å; E97-V119 HydrophobicContact CG-CG2 4.07Å |
| 98 | L | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.7 | 178.8 | 179.5 | 59.6 | 0 | 0 | 0 | 110.3 | L75 L85 L88 L95 I100 L114 L117 V119 L120 Y121 | L75-L98 HydrophobicContact CB-CD1 4.03Å; L75-L98 HydrophobicContact CD2-CD1 4Å; L75-L98 HydrophobicContact CG-CD1 4.05Å; L85-L98 HydrophobicContact CD2-CD2 4.3Å; L88-L98 HydrophobicContact CD1-CD1 4.44Å; L88-L98 HydrophobicContact CD1-CD2 3.74Å; L95-L98 HydrophobicContact CD2-CB 4.02Å; L95-L98 HydrophobicContact CD2-CD1 4.16Å; L95-L98 HydrophobicContact CD2-CD2 4.42Å; L95-L98 HydrophobicContact CD2-CG 4.43Å; L98-I100 HydrophobicContact CD1-CG2 3.64Å; L98-I100 HydrophobicContact CD2-CD1 4.15Å; L98-I100 HydrophobicContact CD2-CG2 4.31Å; L98-I100 HydrophobicContact CG-CD1 4.38Å; L98-I100 HydrophobicContact CG-CG1 4.3Å; L98-I100 HydrophobicContact CG-CG2 3.84Å; L98-L114 HydrophobicContact CD2-CD1 3.88Å; L98-L117 HydrophobicContact CB-CD1 3.62Å; L98-L117 HydrophobicContact CB-CD2 4.43Å; L98-V119 PolarHBondContact N-O 3.27Å; L98-L120 HydrophobicContact CB-CD1 3.99Å; L98-L120 HydrophobicContact CD2-CD1 3.89Å; L98-L120 HydrophobicContact CG-CD1 4Å; L98-Y121 PolarHBondContact O-N 2.88Å |
| 99 | W | 95 | Very high | 90.9 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.8 | 179.2 | -50.7 | -12.4 | 0 | 0 | 0 | 110.5 | I74 L75 L77 S78 Y121 | I74-W99 HydrophobicContact CG2-CZ2 4.49Å; L75-W99 PolarHBondContact O-N 3.35Å; L77-W99 CarbonylContact C-O 3.47Å; L77-W99 WeakPolarHBondContact CA-O 3.48Å; L77-W99 PolarHBondContact N-O 3.03Å; S78-W99 PolarHBondContact N-O 3.12Å; S78-W99 VanDerWaalsContact N-O 3.12Å; S78-W99 PolarHBondContact OG-O 3.18Å; S78-W99 VanDerWaalsContact OG-O 3.13Å; W99-Y121 CarbonylContact C-O 3.43Å; W99-Y121 AromaticContact CD1-CD2 3.34Å; W99-Y121 AromaticContact CD1-CE2 3.99Å; W99-Y121 AromaticContact CD1-CG 3.95Å; W99-Y121 HydrophobicContact CD2-CD2 4.23Å; W99-Y121 AromaticContact CG-CD2 3.83Å; W99-Y121 HydrophobicContact CG-CD2 3.83Å; W99-Y121 AromaticContact NE1-CD2 3.53Å; W99-Y121 AromaticContact NE1-CE2 3.68Å |
| 100 | I | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -121.5 | 29.9 | -175.1 | 50 | 172.4 | 0 | 0 | 0 | 111 | L77 L85 L98 N103 I105 L120 Y121 M122 N125 | L77-I100 HydrophobicContact CB-CG2 4.08Å; L85-I100 HydrophobicContact CD1-CD1 4.29Å; L85-I100 HydrophobicContact CD2-CD1 3.61Å; L85-I100 HydrophobicContact CD2-CG2 4.46Å; L85-I100 HydrophobicContact CG-CD1 4.49Å; L98-I100 HydrophobicContact CD1-CG2 3.64Å; L98-I100 HydrophobicContact CD2-CD1 4.15Å; L98-I100 HydrophobicContact CD2-CG2 4.31Å; L98-I100 HydrophobicContact CG-CD1 4.38Å; L98-I100 HydrophobicContact CG-CG1 4.3Å; L98-I100 HydrophobicContact CG-CG2 3.84Å; I100-N103 VanDerWaalsContact C-ND2 3.34Å; I100-N103 PolarHBondContact O-ND2 3.32Å; I100-I105 HydrophobicContact CB-CD1 4.18Å; I100-I105 HydrophobicContact CD1-CD1 3.71Å; I100-I105 HydrophobicContact CG1-CD1 4.36Å; I100-L120 HydrophobicContact CD1-CD1 3.8Å; I100-L120 HydrophobicContact CG1-CD1 4.07Å; I100-Y121 CarbonylContact C-O 3.55Å; I100-Y121 WeakPolarHBondContact CG1-O 3.14Å; I100-Y121 PolarHBondContact N-O 3.18Å; I100-M122 HydrophobicContact CD1-CB 3.81Å; I100-M122 HydrophobicContact CG1-CB 3.69Å; I100-N125 PolarHBondContact O-ND2 2.91Å | ||
| 101 | S | 94.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -69.5 | 150 | -180 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | S78 R79 N103 Y121 S123 | S78-S101 CarbonylContact C-O 3.21Å; S78-S101 WeakPolarHBondContact CA-O 3.32Å; S78-S101 WeakPolarHBondContact CB-O 3.32Å; S78-S101 PolarHBondContact OG-N 2.85Å; R79-S101 PolarHBondContact N-O 2.9Å; S101-N103 PolarHBondContact O-ND2 3.27Å; S101-Y121 PolarHBondContact N-O 2.82Å; S101-Y121 VanDerWaalsContact N-O 3.17Å; S101-Y121 PolarHBondContact OG-O 3.37Å; S101-S123 CarbonylContact C-O 3.11Å; S101-S123 WeakPolarHBondContact CA-O 3.1Å; S101-S123 WeakPolarHBondContact CB-OG 3.14Å; S101-S123 PolarHBondContact OG-N 3.43Å; S101-S123 PolarHBondContact OG-OG 3Å | ||
| 102 | Y | 94.4 | Very high | 90.5 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 56.9 | 60.5 | -175.5 | -58.6 | -88.7 | 0 | 0 | 0 | 111.9 | R79 N80 S123 N124 | R79-Y102 WeakPolarHBondContact CA-O 3.35Å; R79-Y102 HydrophobicContact CG-CD2 4.28Å; R79-Y102 HydrophobicContact CG-CG 4.16Å; R79-Y102 PolarHBondContact N-O 2.64Å; N80-Y102 PolarHBondContact N-O 3.21Å; Y102-S123 PolarHBondContact N-O 2.82Å; Y102-N124 VanDerWaalsContact CA-O 3.29Å; Y102-N124 WeakPolarHBondContact CA-O 3.29Å; Y102-N124 HydrophobicContact CD1-CB 3.58Å; Y102-N124 HydrophobicContact CD2-CB 4.5Å; Y102-N124 HydrophobicContact CE1-CB 3.74Å; Y102-N124 VanDerWaalsContact CE1-CG 3.43Å; Y102-N124 HydrophobicContact CG-CB 3.98Å; Y102-N124 PolarHBondContact N-O 2.6Å |
| 103 | N | 94.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -129.7 | -174.7 | 172.8 | -83.4 | -82.4 | 0 | 0 | 0 | 109.4 | L77 N80 I82 I100 S101 I105 N124 N125 | L77-N103 PolarHBondContact O-ND2 3.12Å; N80-N103 WeakPolarHBondContact CA-OD1 3.17Å; N80-N103 WeakPolarHBondContact CB-OD1 2.97Å; N80-N103 PolarHBondContact N-OD1 3.47Å; N80-N103 PolarHBondContact O-OD1 3.49Å; I82-N103 HydrophobicContact CB-CB 4.36Å; I82-N103 VanDerWaalsContact CB-OD1 3.28Å; I82-N103 WeakPolarHBondContact CB-OD1 3.29Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.16Å; I82-N103 PolarHBondContact N-OD1 3.15Å; I100-N103 VanDerWaalsContact C-ND2 3.34Å; I100-N103 PolarHBondContact O-ND2 3.32Å; S101-N103 PolarHBondContact O-ND2 3.27Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.13Å; N103-N124 PolarHBondContact N-O 2.91Å; N103-N125 WeakPolarHBondContact CA-OD1 3.37Å; N103-N125 WeakPolarHBondContact CB-OD1 3.19Å; N103-N125 PolarHBondContact O-OD1 2.96Å |
| 104 | L | 93.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 37% | 0.372 | 20% | 0.196 | S | C | . | . | trans | -112.5 | 33.8 | -177 | -59.3 | 174.1 | 0 | 0 | 0 | 111.3 | N81 I82 K83 D106 L126 | N81-L104 HydrophobicContact CB-CD1 4.41Å; I82-L104 CarbonylContact O-C 3.6Å; I82-L104 WeakPolarHBondContact O-CA 3.49Å; I82-L104 PolarHBondContact O-N 3.25Å; K83-L104 HydrophobicContact CG-CB 4.18Å; L104-D106 PolarHBondContact O-N 3.15Å; L104-L126 HydrophobicContact CB-CD1 4.1Å; L104-L126 HydrophobicContact CD2-CD1 3.9Å | ||
| 105 | I | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -76.4 | 114.3 | -175.3 | -58.1 | 168.9 | 0 | 0 | 0 | 108.9 | I82 L85 I100 N103 K107 L108 N125 L126 V127 | I82-I105 HydrophobicContact CG2-CD1 4.47Å; I82-I105 HydrophobicContact CG2-CG1 4.32Å; I82-I105 WeakPolarHBondContact O-CG1 3.28Å; I82-I105 PolarHBondContact O-N 3.13Å; L85-I105 HydrophobicContact CD2-CD1 3.96Å; L85-I105 HydrophobicContact CG-CD1 4.37Å; I100-I105 HydrophobicContact CB-CD1 4.18Å; I100-I105 HydrophobicContact CD1-CD1 3.71Å; I100-I105 HydrophobicContact CG1-CD1 4.36Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.13Å; I105-K107 WeakPolarHBondContact CG2-O 3.35Å; I105-L108 HydrophobicContact CG2-CD2 4.02Å; I105-N125 HydrophobicContact CB-CB 4.36Å; I105-N125 WeakPolarHBondContact CB-OD1 3.4Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.31Å; I105-N125 PolarHBondContact N-OD1 3.4Å; I105-N125 VanDerWaalsContact N-OD1 3.15Å; I105-L126 CarbonylContact O-C 3.41Å; I105-L126 WeakPolarHBondContact O-CA 3.26Å; I105-L126 PolarHBondContact O-N 2.95Å; I105-V127 WeakPolarHBondContact O-CG2 3.48Å; I105-V127 PolarHBondContact O-N 3.31Å | ||
| 106 | D | 90.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | trans | -99.4 | -27.4 | 175.2 | 69.1 | -29.7 | 0 | 0 | 0 | 112.3 | L104 L126 | L104-D106 PolarHBondContact O-N 3.15Å; D106-L126 HydrophobicContact CB-CB 4.26Å | ||
| 107 | K | 88.3 | Confident | 90.2 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 50% | 0.504 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -128.9 | 134.2 | -177.6 | -63.2 | 177.4 | -171.9 | -176.9 | 0 | 111.4 | I105 K109 E132 | I105-K107 WeakPolarHBondContact CG2-O 3.35Å; K107-K109 PolarHBondContact O-N 3.37Å; K107-E132 WeakPolarHBondContact CA-OE2 3.27Å |
| 108 | L | 87.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -91.7 | 28.3 | 179.6 | -64.6 | 174.3 | 0 | 0 | 0 | 112.5 | L85 I105 G110 V111 M122 V127 E132 L136 F147 | L85-L108 HydrophobicContact CD1-CD2 3.64Å; I105-L108 HydrophobicContact CG2-CD2 4.02Å; L108-G110 PolarHBondContact O-N 3.08Å; L108-V111 HydrophobicContact CB-CB 4.46Å; L108-V111 HydrophobicContact CB-CG1 4.19Å; L108-V111 WeakPolarHBondContact O-CB 3.17Å; L108-V111 VanDerWaalsContact O-CG1 3.24Å; L108-V111 WeakPolarHBondContact O-CG1 3.37Å; L108-V111 PolarHBondContact O-N 3.18Å; L108-M122 HydrophobicContact CD1-CE 4.18Å; L108-M122 HydrophobicContact CD1-SD 4.32Å; L108-M122 HydrophobicContact CD2-CE 3.67Å; L108-M122 HydrophobicContact CD2-SD 4.03Å; L108-M122 HydrophobicContact CG-CE 4.4Å; L108-V127 HydrophobicContact CG-CG2 4.31Å; L108-E132 WeakPolarHBondContact CD1-O 3.25Å; L108-E132 PolarHBondContact N-OE2 3.23Å; L108-L136 HydrophobicContact CD1-CD1 4.02Å; L108-L136 HydrophobicContact CD1-CD2 3.96Å; L108-L136 HydrophobicContact CD1-CG 3.85Å; L108-F147 HydrophobicContact CD1-CE2 4.43Å | ||
| 109 | K | 83.7 | Confident | 90.1 | Very high | 138 Ų | 138 | 49.1 Ų | 49.1 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 128.5 | 174 | -171.6 | 177.8 | 179.5 | -179.1 | 0 | 110.1 | K107 | K107-K109 PolarHBondContact O-N 3.37Š|
| 110 | G | 80.4 | Confident | 90 | Very high | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | -4.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L108 S112 | L108-G110 PolarHBondContact O-N 3.08Å; G110-S112 VanDerWaalsContact C-N 3.34Å |
| 111 | V | 86.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -67.5 | -34.6 | 176.8 | 79.9 | 0 | 0 | 0 | 0 | 112.2 | L85 L108 S113 L114 R135 L136 L139 | L85-V111 HydrophobicContact CD1-CB 4.05Å; L85-V111 HydrophobicContact CD1-CG2 4.07Å; L108-V111 HydrophobicContact CB-CB 4.46Å; L108-V111 HydrophobicContact CB-CG1 4.19Å; L108-V111 WeakPolarHBondContact O-CB 3.17Å; L108-V111 VanDerWaalsContact O-CG1 3.24Å; L108-V111 WeakPolarHBondContact O-CG1 3.37Å; L108-V111 PolarHBondContact O-N 3.18Å; V111-S113 PolarHBondContact O-N 3.47Å; V111-L114 HydrophobicContact CG2-CD1 4.19Å; V111-L114 WeakPolarHBondContact O-CB 3.31Å; V111-L114 PolarHBondContact O-N 3.12Å; V111-R135 HydrophobicContact CG1-CB 3.99Å; V111-L136 HydrophobicContact CG1-CD2 4.22Å; V111-L136 HydrophobicContact CG2-CD2 3.83Å; V111-L139 HydrophobicContact CG2-CD1 3.97Å; V111-L139 HydrophobicContact CG2-CD2 4.38Å; V111-L139 VanDerWaalsContact O-CD2 3.28Å; V111-L139 WeakPolarHBondContact O-CD2 3.48Å |
| 112 | S | 84.4 | Confident | 90 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.5 | -17.1 | -177.1 | -43.4 | 0 | 0 | 0 | 0 | 113.9 | G110 L114 H115 D138 | G110-S112 VanDerWaalsContact C-N 3.34Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.11Å; S112-H115 PolarHBondContact O-CE1 2.81Å; S112-H115 PolarHBondContact O-ND1 2.69Å; S112-D138 PolarHBondContact OG-OD2 3.2Å |
| 113 | S | 86.2 | Confident | 90 | Very high | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -75.8 | -12.8 | 175.8 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | G92 V111 H115 | G92-S113 VanDerWaalsContact CA-O 3.29Å; G92-S113 WeakPolarHBondContact CA-O 3.47Å; V111-S113 PolarHBondContact O-N 3.47Å; S113-H115 PolarHBondContact O-CD2 2.79Å; S113-H115 PolarHBondContact O-N 2.71Å; S113-H115 VanDerWaalsContact O-N 3.15Å |
| 114 | L | 89.1 | Confident | 90 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -88.9 | 62.6 | -174.1 | -60.2 | 176.8 | 0 | 0 | 0 | 112.4 | L88 L95 L98 V111 S112 K116 L117 L139 | L88-L114 HydrophobicContact CB-CD2 3.98Å; L88-L114 HydrophobicContact CD1-CD1 4.29Å; L95-L114 HydrophobicContact CD2-CD2 4.03Å; L98-L114 HydrophobicContact CD2-CD1 3.88Å; V111-L114 HydrophobicContact CG2-CD1 4.19Å; V111-L114 WeakPolarHBondContact O-CB 3.31Å; V111-L114 PolarHBondContact O-N 3.12Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.11Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 2.78Å; L114-L117 HydrophobicContact CB-CB 3.94Å; L114-L117 HydrophobicContact CB-CD2 4.36Å; L114-L117 HydrophobicContact CD1-CD2 3.92Å; L114-L117 WeakPolarHBondContact O-CB 3.28Å; L114-L117 PolarHBondContact O-N 2.76Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L114-L139 HydrophobicContact CB-CD2 3.93Å; L114-L139 VanDerWaalsContact O-CD2 3.26Å; L114-L139 WeakPolarHBondContact O-CD2 3.43Å | ||
| 115 | H | 86.3 | Confident | 90 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 43% | 0.431 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.9 | -169.8 | -58.6 | -57.1 | 0 | 0 | 0 | 115.3 | G92 D93 S112 S113 S141 | G92-H115 PolarHBondContact O-N 2.93Å; D93-H115 IonicContact OD1-CD2 3.49Å; S112-H115 PolarHBondContact O-CE1 2.81Å; S112-H115 PolarHBondContact O-ND1 2.69Å; S113-H115 PolarHBondContact O-CD2 2.79Å; S113-H115 PolarHBondContact O-N 2.71Å; S113-H115 VanDerWaalsContact O-N 3.15Å; H115-S141 PolarHBondContact O-OG 2.72Å |
| 116 | K | 90.6 | Very high | 90 | Very high | 113 Ų | 113 | 46 Ų | 46 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.4 | -179.3 | -64.5 | -158.1 | -169 | 144.9 | 0 | 114.5 | D93 L95 L114 K118 | D93-K116 WeakPolarHBondContact O-CD 3.41Å; D93-K116 WeakPolarHBondContact O-CE 3.47Å; D93-K116 PolarHBondContact O-NZ 3.33Å; L95-K116 CarbonylContact O-C 3.44Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 2.78Å; K116-K118 PolarHBondContact O-N 3.17Å |
| 117 | L | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -67.3 | 122.8 | -177.9 | -167.8 | 75.2 | 0 | 0 | 0 | 110.5 | L95 L98 L114 L120 L139 S141 L142 | L95-L117 HydrophobicContact CD2-CD1 4.18Å; L95-L117 HydrophobicContact CG-CD1 4.17Å; L95-L117 WeakPolarHBondContact O-CA 3.44Å; L95-L117 PolarHBondContact O-N 2.9Å; L98-L117 HydrophobicContact CB-CD1 3.62Å; L98-L117 HydrophobicContact CB-CD2 4.43Å; L114-L117 HydrophobicContact CB-CB 3.94Å; L114-L117 HydrophobicContact CB-CD2 4.36Å; L114-L117 HydrophobicContact CD1-CD2 3.92Å; L114-L117 WeakPolarHBondContact O-CB 3.28Å; L114-L117 PolarHBondContact O-N 2.76Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L117-L120 HydrophobicContact CD2-CB 3.99Å; L117-L120 HydrophobicContact CD2-CD1 4.21Å; L117-L120 HydrophobicContact CD2-CD2 4.36Å; L117-L120 HydrophobicContact CD2-CG 4.42Å; L117-L139 HydrophobicContact CD2-CD1 4.16Å; L117-S141 CarbonylContact O-C 3.37Å; L117-S141 WeakPolarHBondContact O-CB 3.37Å; L117-L142 WeakPolarHBondContact O-CA 3.19Å; L117-L142 PolarHBondContact O-N 3.5Å | ||
| 118 | K | 92.9 | Very high | 90.3 | Very high | 108 Ų | 108 | 43.7 Ų | 43.7 | 47% | 0.47 | 21% | 0.213 | S | C | . | . | trans | -106.1 | -34.6 | 178.2 | -63.5 | -174.2 | -179.2 | -178.5 | 0 | 112.8 | V96 K116 S141 V143 D144 | V96-K118 HydrophobicContact CG1-CB 4.05Å; V96-K118 HydrophobicContact CG1-CD 3.94Å; V96-K118 HydrophobicContact CG1-CG 4.02Å; V96-K118 PolarHBondContact O-N 3.14Å; K116-K118 PolarHBondContact O-N 3.17Å; K118-S141 WeakPolarHBondContact CA-O 3.42Å; K118-V143 PolarHBondContact O-N 3.24Å; K118-D144 PolarHBondContact O-N 2.98Å | ||
| 119 | V | 93.8 | Very high | 90.5 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.1 | -176 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | V96 E97 L98 Y121 D144 | V96-V119 PolarHBondContact O-N 3.07Å; V96-V119 VanDerWaalsContact O-N 3.08Å; E97-V119 WeakPolarHBondContact CA-O 3.14Å; E97-V119 HydrophobicContact CB-CB 4.21Å; E97-V119 HydrophobicContact CG-CB 3.94Å; E97-V119 HydrophobicContact CG-CG2 4.07Å; L98-V119 PolarHBondContact N-O 3.27Å; V119-Y121 HydrophobicContact CG1-CD1 3.88Å; V119-Y121 HydrophobicContact CG1-CD2 4.45Å; V119-Y121 HydrophobicContact CG1-CE1 3.4Å; V119-Y121 HydrophobicContact CG1-CE2 4.02Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 VanDerWaalsContact CG1-CZ 3.47Å; V119-D144 CarbonylContact C-O 3.1Å; V119-D144 WeakPolarHBondContact CA-O 3.47Å; V119-D144 HydrophobicContact CG1-CB 4.23Å; V119-D144 HydrophobicContact CG2-CB 4.22Å |
| 120 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 112.2 | 176.4 | 179.7 | 56.5 | 0 | 0 | 0 | 110.4 | L98 I100 L117 M122 L136 L142 D144 L145 V146 | L98-L120 HydrophobicContact CB-CD1 3.99Å; L98-L120 HydrophobicContact CD2-CD1 3.89Å; L98-L120 HydrophobicContact CG-CD1 4Å; I100-L120 HydrophobicContact CD1-CD1 3.8Å; I100-L120 HydrophobicContact CG1-CD1 4.07Å; L117-L120 HydrophobicContact CD2-CB 3.99Å; L117-L120 HydrophobicContact CD2-CD1 4.21Å; L117-L120 HydrophobicContact CD2-CD2 4.36Å; L117-L120 HydrophobicContact CD2-CG 4.42Å; L120-M122 HydrophobicContact CD1-CB 4.47Å; L120-M122 HydrophobicContact CD2-CG 4.43Å; L120-M122 HydrophobicContact CD2-SD 3.87Å; L120-M122 HydrophobicContact CG-CB 4.45Å; L120-M122 HydrophobicContact CG-CG 4.16Å; L120-M122 HydrophobicContact CG-SD 4.24Å; L120-L136 HydrophobicContact CD2-CD2 3.57Å; L120-L142 HydrophobicContact CB-CD1 3.74Å; L120-D144 PolarHBondContact N-O 2.87Å; L120-L145 HydrophobicContact CB-CD1 3.92Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; L120-L145 HydrophobicContact CG-CD1 3.88Å; L120-L145 WeakPolarHBondContact O-CA 3.07Å; L120-V146 PolarHBondContact O-N 3.42Å |
| 121 | Y | 94.7 | Very high | 91.2 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 103 | 174.3 | -62.6 | -22.1 | 0 | 0 | 0 | 110.2 | L98 W99 I100 S101 V119 V146 | L98-Y121 PolarHBondContact O-N 2.88Å; W99-Y121 CarbonylContact C-O 3.43Å; W99-Y121 AromaticContact CD1-CD2 3.34Å; W99-Y121 AromaticContact CD1-CE2 3.99Å; W99-Y121 AromaticContact CD1-CG 3.95Å; W99-Y121 HydrophobicContact CD2-CD2 4.23Å; W99-Y121 AromaticContact CG-CD2 3.83Å; W99-Y121 HydrophobicContact CG-CD2 3.83Å; W99-Y121 AromaticContact NE1-CD2 3.53Å; W99-Y121 AromaticContact NE1-CE2 3.68Å; I100-Y121 CarbonylContact C-O 3.55Å; I100-Y121 WeakPolarHBondContact CG1-O 3.14Å; I100-Y121 PolarHBondContact N-O 3.18Å; S101-Y121 PolarHBondContact N-O 2.82Å; S101-Y121 VanDerWaalsContact N-O 3.17Å; S101-Y121 PolarHBondContact OG-O 3.37Å; V119-Y121 HydrophobicContact CG1-CD1 3.88Å; V119-Y121 HydrophobicContact CG1-CD2 4.45Å; V119-Y121 HydrophobicContact CG1-CE1 3.4Å; V119-Y121 HydrophobicContact CG1-CE2 4.02Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 VanDerWaalsContact CG1-CZ 3.47Å; Y121-V146 HydrophobicContact CD1-CB 3.69Å; Y121-V146 HydrophobicContact CD1-CG2 3.39Å; Y121-V146 HydrophobicContact CE1-CB 4.34Å; Y121-V146 HydrophobicContact CE1-CG2 3.53Å; Y121-V146 HydrophobicContact CG-CB 4.4Å; Y121-V146 HydrophobicContact CG-CG2 4.37Å |
| 122 | M | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -129 | 37.2 | -176.8 | 63.6 | 172.2 | -69.1 | 0 | 0 | 112.7 | I100 L108 L120 N125 V127 L136 L145 V146 F147 N150 | I100-M122 HydrophobicContact CD1-CB 3.81Å; I100-M122 HydrophobicContact CG1-CB 3.69Å; L108-M122 HydrophobicContact CD1-CE 4.18Å; L108-M122 HydrophobicContact CD1-SD 4.32Å; L108-M122 HydrophobicContact CD2-CE 3.67Å; L108-M122 HydrophobicContact CD2-SD 4.03Å; L108-M122 HydrophobicContact CG-CE 4.4Å; L120-M122 HydrophobicContact CD1-CB 4.47Å; L120-M122 HydrophobicContact CD2-CG 4.43Å; L120-M122 HydrophobicContact CD2-SD 3.87Å; L120-M122 HydrophobicContact CG-CB 4.45Å; L120-M122 HydrophobicContact CG-CG 4.16Å; L120-M122 HydrophobicContact CG-SD 4.24Å; M122-N125 PolarHBondContact O-ND2 3.49Å; M122-V127 HydrophobicContact CE-CG2 3.81Å; M122-L136 HydrophobicContact SD-CD1 4.4Å; M122-L145 HydrophobicContact CG-CD1 4.18Å; M122-L145 HydrophobicContact SD-CD1 4.38Å; M122-V146 CarbonylContact C-O 3.28Å; M122-V146 WeakPolarHBondContact CA-O 3.39Å; M122-V146 WeakPolarHBondContact CG-O 3.35Å; M122-V146 PolarHBondContact N-O 2.92Å; M122-F147 HydrophobicContact CE-CD2 3.61Å; M122-F147 HydrophobicContact CE-CE2 3.19Å; M122-F147 HydrophobicContact CE-CZ 4.05Å; M122-F147 HydrophobicContact CG-CD2 3.64Å; M122-F147 HydrophobicContact CG-CE2 4.22Å; M122-F147 HydrophobicContact CG-CG 4.49Å; M122-F147 HydrophobicContact SD-CD2 3.43Å; M122-F147 WeakPolarHBondContact SD-CD2 3.15Å; M122-F147 HydrophobicContact SD-CE2 3.48Å; M122-F147 WeakPolarHBondContact SD-CE2 3.4Å; M122-N150 PolarHBondContact O-ND2 3.29Å | ||
| 123 | S | 93.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | trans | -62.4 | 154.3 | 174.4 | 64 | 0 | 0 | 0 | 0 | 112.2 | S101 Y102 N125 V146 N148 | S101-S123 CarbonylContact C-O 3.11Å; S101-S123 WeakPolarHBondContact CA-O 3.1Å; S101-S123 WeakPolarHBondContact CB-OG 3.14Å; S101-S123 PolarHBondContact OG-N 3.43Å; S101-S123 PolarHBondContact OG-OG 3Å; Y102-S123 PolarHBondContact N-O 2.82Å; S123-N125 PolarHBondContact O-N 3.4Å; S123-N125 PolarHBondContact O-ND2 2.98Å; S123-V146 PolarHBondContact N-O 3.37Å; S123-N148 CarbonylContact C-O 3.23Å; S123-N148 WeakPolarHBondContact CA-O 3.02Å; S123-N148 WeakPolarHBondContact CB-O 3.15Å | ||
| 124 | N | 93.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 53.8 | 56.4 | 176.7 | -60 | -94.9 | 0 | 0 | 0 | 111.8 | Y102 N103 N148 G149 | Y102-N124 VanDerWaalsContact CA-O 3.29Å; Y102-N124 WeakPolarHBondContact CA-O 3.29Å; Y102-N124 HydrophobicContact CD1-CB 3.58Å; Y102-N124 HydrophobicContact CD2-CB 4.5Å; Y102-N124 HydrophobicContact CE1-CB 3.74Å; Y102-N124 VanDerWaalsContact CE1-CG 3.43Å; Y102-N124 HydrophobicContact CG-CB 3.98Å; Y102-N124 PolarHBondContact N-O 2.6Å; N103-N124 PolarHBondContact N-O 2.91Å; N124-N148 PolarHBondContact N-O 3.4Å; N124-G149 WeakPolarHBondContact CA-O 3.29Å |
| 125 | N | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -119.9 | -173.2 | 172.2 | -85.6 | -74.9 | 0 | 0 | 0 | 109.5 | I100 N103 I105 M122 S123 N150 P151 | I100-N125 PolarHBondContact O-ND2 2.91Å; N103-N125 WeakPolarHBondContact CA-OD1 3.37Å; N103-N125 WeakPolarHBondContact CB-OD1 3.19Å; N103-N125 PolarHBondContact O-OD1 2.96Å; I105-N125 HydrophobicContact CB-CB 4.36Å; I105-N125 WeakPolarHBondContact CB-OD1 3.4Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.31Å; I105-N125 PolarHBondContact N-OD1 3.4Å; I105-N125 VanDerWaalsContact N-OD1 3.15Å; M122-N125 PolarHBondContact O-ND2 3.49Å; S123-N125 PolarHBondContact O-N 3.4Å; S123-N125 PolarHBondContact O-ND2 2.98Å; N125-N150 WeakPolarHBondContact CA-OD1 3.28Å; N125-N150 WeakPolarHBondContact CB-OD1 3.33Å; N125-N150 PolarHBondContact O-OD1 3.48Å; N125-P151 VanDerWaalsContact O-CD 3.28Å; N125-P151 WeakPolarHBondContact O-CD 3.38Å | ||
| 126 | L | 93.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | trans | -112.5 | 24.8 | -171.4 | -63.3 | 178 | 0 | 0 | 0 | 113.3 | L104 I105 D106 K128 N150 | L104-L126 HydrophobicContact CB-CD1 4.1Å; L104-L126 HydrophobicContact CD2-CD1 3.9Å; I105-L126 CarbonylContact O-C 3.41Å; I105-L126 WeakPolarHBondContact O-CA 3.26Å; I105-L126 PolarHBondContact O-N 2.95Å; D106-L126 HydrophobicContact CB-CB 4.26Å; L126-K128 WeakPolarHBondContact O-CG 3.16Å; L126-K128 PolarHBondContact O-N 3.27Å; L126-N150 PolarHBondContact N-OD1 3.23Å | ||
| 127 | V | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -76.2 | 125.6 | 179.9 | -174 | 0 | 0 | 0 | 0 | 110.3 | I105 L108 M122 E132 F147 N150 P151 L152 | I105-V127 WeakPolarHBondContact O-CG2 3.48Å; I105-V127 PolarHBondContact O-N 3.31Å; L108-V127 HydrophobicContact CG-CG2 4.31Å; M122-V127 HydrophobicContact CE-CG2 3.81Å; V127-E132 HydrophobicContact CG1-CB 3.89Å; V127-F147 HydrophobicContact CB-CE1 4.32Å; V127-F147 HydrophobicContact CB-CE2 4.42Å; V127-F147 HydrophobicContact CB-CZ 3.6Å; V127-F147 HydrophobicContact CG1-CZ 3.7Å; V127-F147 HydrophobicContact CG2-CE2 4.48Å; V127-F147 HydrophobicContact CG2-CZ 4.12Å; V127-N150 WeakPolarHBondContact CB-OD1 3.37Å; V127-N150 PolarHBondContact N-OD1 3.14Å; V127-N150 VanDerWaalsContact N-OD1 3.14Å; V127-P151 WeakPolarHBondContact O-CD 3.35Å; V127-L152 VanDerWaalsContact O-CB 3.31Å; V127-L152 WeakPolarHBondContact O-CB 3.37Å; V127-L152 PolarHBondContact O-N 3.24Å | ||
| 128 | K | 91.4 | Very high | 91.3 | Very high | 127 Ų | 127 | 48.1 Ų | 48.1 | 55% | 0.552 | 25% | 0.25 | S | S | * | . | trans | -118 | -20.8 | -170.3 | -21.3 | 179.1 | -168.7 | -178.7 | 0 | 113.5 | L126 P151 L152 | L126-K128 WeakPolarHBondContact O-CG 3.16Å; L126-K128 PolarHBondContact O-N 3.27Å; K128-P151 HydrophobicContact CB-CB 4.42Å; K128-L152 WeakPolarHBondContact O-CD1 3.41Å | ||
| 129 | D | 91 | Very high | 91 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | trans | -119.1 | 136.4 | -165.9 | -62 | -65.3 | 0 | 0 | 0 | 111.5 | A131 E132 F133 | D129-A131 PolarHBondContact O-N 3.25Å; D129-E132 PolarHBondContact O-N 2.82Å; D129-E132 VanDerWaalsContact O-N 3.13Å; D129-F133 PolarHBondContact O-N 3.47Å | ||
| 130 | W | 89.3 | Confident | 90.6 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 16% | 0.163 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -28.2 | 172.8 | -74.8 | 111.8 | 0 | 0 | 0 | 112.9 | E132 F133 V134 L152 H156 W162 E165 A166 R169 | W130-E132 PolarHBondContact O-N 3.16Å; W130-F133 HydrophobicContact CE3-CB 3.93Å; W130-F133 AromaticContact CE3-CD1 3.63Å; W130-F133 HydrophobicContact CE3-CD1 3.63Å; W130-F133 HydrophobicContact CE3-CE1 4.36Å; W130-F133 AromaticContact CE3-CG 3.88Å; W130-F133 HydrophobicContact CE3-CG 3.88Å; W130-F133 HydrophobicContact CZ3-CB 4.44Å; W130-F133 AromaticContact CZ3-CD1 3.52Å; W130-F133 HydrophobicContact CZ3-CD1 3.52Å; W130-F133 AromaticContact CZ3-CE1 3.79Å; W130-F133 HydrophobicContact CZ3-CE1 3.79Å; W130-F133 AromaticContact CZ3-CG 3.91Å; W130-F133 HydrophobicContact CZ3-CG 3.91Å; W130-F133 HydrophobicContact CZ3-CZ 4.41Å; W130-F133 PolarHBondContact O-N 3.21Å; W130-F133 VanDerWaalsContact O-N 3.15Å; W130-V134 VanDerWaalsContact O-CG2 3.29Å; W130-V134 WeakPolarHBondContact O-CG2 3.1Å; W130-V134 PolarHBondContact O-N 3.38Å; W130-L152 HydrophobicContact CD2-CD1 3.92Å; W130-L152 HydrophobicContact CD2-CD2 4.15Å; W130-L152 HydrophobicContact CD2-CG 4.46Å; W130-L152 HydrophobicContact CE3-CD2 3.99Å; W130-L152 HydrophobicContact CG-CD1 3.99Å; W130-L152 HydrophobicContact CZ2-CD1 4.36Å; W130-L152 HydrophobicContact CZ3-CD2 4.28Å; W130-H156 AromaticContact CD1-NE2 3.9Å; W130-H156 AromaticContact CE2-CD2 3.68Å; W130-H156 AromaticContact CE2-NE2 3.56Å; W130-H156 HydrophobicContact CZ2-CB 4.42Å; W130-H156 AromaticContact CZ2-CD2 3.44Å; W130-H156 VanDerWaalsContact CZ2-CD2 3.44Å; W130-H156 WeakPolarHBondContact CZ2-CD2 3.46Å; W130-H156 AromaticContact CZ2-CG 3.78Å; W130-H156 AromaticContact CZ2-NE2 3.75Å; W130-H156 AromaticContact NE1-CD2 3.49Å; W130-H156 PolarHBondContact NE1-CD2 2.98Å; W130-H156 AromaticContact NE1-CE1 3.53Å; W130-H156 AromaticContact NE1-NE2 2.88Å; W130-H156 PolarHBondContact NE1-NE2 3.13Å; W130-W162 AromaticContact CH2-CE3 3.7Å; W130-W162 HydrophobicContact CH2-CE3 3.7Å; W130-W162 AromaticContact CH2-CZ3 3.54Å; W130-W162 HydrophobicContact CH2-CZ3 3.54Å; W130-W162 HydrophobicContact CZ2-CE3 4.3Å; W130-W162 HydrophobicContact CZ2-CZ3 4.31Å; W130-W162 HydrophobicContact CZ3-CE3 4.5Å; W130-W162 AromaticContact CZ3-CZ3 3.92Å; W130-W162 HydrophobicContact CZ3-CZ3 3.92Å; W130-E165 VanDerWaalsContact CE2-OE2 3.31Å; W130-E165 HydrophobicContact CH2-CB 3.57Å; W130-E165 HydrophobicContact CZ2-CB 3.64Å; W130-E165 HydrophobicContact CZ2-CG 4.34Å; W130-E165 WeakPolarHBondContact CZ2-OE2 3.18Å; W130-E165 PolarHBondContact NE1-OE2 2.87Å; W130-A166 HydrophobicContact CH2-CB 4.49Å; W130-R169 VanDerWaalsContact CD2-CZ 3.48Å |
| 131 | A | 89.8 | Confident | 90.3 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 60% | 0.595 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.4 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | D129 | D129-A131 PolarHBondContact O-N 3.25Å |
| 132 | E | 89.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -78.3 | -38.8 | 175.8 | -65 | -60 | 132.2 | 0 | 0 | 111.1 | K107 L108 V127 D129 W130 V134 R135 | K107-E132 WeakPolarHBondContact CA-OE2 3.27Å; L108-E132 WeakPolarHBondContact CD1-O 3.25Å; L108-E132 PolarHBondContact N-OE2 3.23Å; V127-E132 HydrophobicContact CG1-CB 3.89Å; D129-E132 PolarHBondContact O-N 2.82Å; D129-E132 VanDerWaalsContact O-N 3.13Å; W130-E132 PolarHBondContact O-N 3.16Å; E132-V134 PolarHBondContact O-N 3.17Å; E132-R135 VanDerWaalsContact CD-NE 3.28Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 WeakPolarHBondContact O-CG 3.28Å; E132-R135 PolarHBondContact O-N 3.47Å; E132-R135 IonicContact OE1-CZ 2.96Å; E132-R135 IonicContact OE1-NE 3.87Å; E132-R135 PolarHBondContact OE1-NE 3.2Å; E132-R135 VanDerWaalsContact OE1-NE 3.14Å; E132-R135 IonicContact OE1-NH2 3.28Å; E132-R135 PolarHBondContact OE1-NH2 3.43Å; E132-R135 WeakPolarHBondContact OE2-CD 3.26Å; E132-R135 IonicContact OE2-CZ 3.51Å; E132-R135 IonicContact OE2-NE 3.14Å; E132-R135 PolarHBondContact OE2-NE 3.38Å; E132-R135 IonicContact OE2-NH2 3.12Å |
| 133 | F | 89.1 | Confident | 90 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.7 | -171.9 | -93.5 | 0 | 0 | 0 | 113 | D129 W130 R135 L136 L145 F147 L152 W162 A166 R169 L170 | D129-F133 PolarHBondContact O-N 3.47Å; W130-F133 HydrophobicContact CE3-CB 3.93Å; W130-F133 AromaticContact CE3-CD1 3.63Å; W130-F133 HydrophobicContact CE3-CD1 3.63Å; W130-F133 HydrophobicContact CE3-CE1 4.36Å; W130-F133 AromaticContact CE3-CG 3.88Å; W130-F133 HydrophobicContact CE3-CG 3.88Å; W130-F133 HydrophobicContact CZ3-CB 4.44Å; W130-F133 AromaticContact CZ3-CD1 3.52Å; W130-F133 HydrophobicContact CZ3-CD1 3.52Å; W130-F133 AromaticContact CZ3-CE1 3.79Å; W130-F133 HydrophobicContact CZ3-CE1 3.79Å; W130-F133 AromaticContact CZ3-CG 3.91Å; W130-F133 HydrophobicContact CZ3-CG 3.91Å; W130-F133 HydrophobicContact CZ3-CZ 4.41Å; W130-F133 PolarHBondContact O-N 3.21Å; W130-F133 VanDerWaalsContact O-N 3.15Å; F133-R135 PolarHBondContact O-N 3.18Å; F133-L136 HydrophobicContact CD2-CD1 4.12Å; F133-L136 HydrophobicContact CE2-CD1 4.22Å; F133-L136 VanDerWaalsContact O-CB 3.26Å; F133-L136 WeakPolarHBondContact O-CB 3.24Å; F133-L136 PolarHBondContact O-N 3Å; F133-L145 HydrophobicContact CE2-CD2 3.96Å; F133-L145 HydrophobicContact CZ-CD2 4.17Å; F133-F147 HydrophobicContact CD2-CD2 4.29Å; F133-F147 HydrophobicContact CD2-CE1 4.23Å; F133-F147 AromaticContact CD2-CE2 3.92Å; F133-F147 HydrophobicContact CD2-CE2 3.92Å; F133-F147 AromaticContact CD2-CZ 3.89Å; F133-F147 HydrophobicContact CD2-CZ 3.89Å; F133-F147 HydrophobicContact CE2-CD2 4.24Å; F133-F147 HydrophobicContact CE2-CE2 4.33Å; F133-F147 HydrophobicContact CE2-CG 4.33Å; F133-L152 HydrophobicContact CB-CD2 3.77Å; F133-L152 HydrophobicContact CD2-CD2 4.19Å; F133-L152 HydrophobicContact CG-CD2 4.17Å; F133-W162 AromaticContact CD2-CH2 3.98Å; F133-W162 HydrophobicContact CD2-CH2 3.98Å; F133-W162 AromaticContact CE2-CH2 3.49Å; F133-W162 HydrophobicContact CE2-CH2 3.49Å; F133-W162 VanDerWaalsContact CE2-CH2 3.49Å; F133-W162 HydrophobicContact CE2-CZ2 4.15Å; F133-W162 HydrophobicContact CE2-CZ3 4.35Å; F133-W162 HydrophobicContact CZ-CH2 4.05Å; F133-A166 HydrophobicContact CE1-CB 4.01Å; F133-A166 HydrophobicContact CZ-CB 3.67Å; F133-R169 HydrophobicContact CD1-CB 4.34Å; F133-R169 HydrophobicContact CE1-CB 4.22Å; F133-L170 HydrophobicContact CD1-CD1 4.47Å; F133-L170 HydrophobicContact CE1-CD1 3.55Å; F133-L170 HydrophobicContact CE1-CG 3.68Å; F133-L170 HydrophobicContact CE2-CD1 4.17Å; F133-L170 HydrophobicContact CZ-CD1 3.36Å; F133-L170 HydrophobicContact CZ-CG 4.02Å |
| 134 | V | 89.1 | Confident | 89.9 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -24.4 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 112 | W130 E132 L136 A137 R169 | W130-V134 VanDerWaalsContact O-CG2 3.29Å; W130-V134 WeakPolarHBondContact O-CG2 3.1Å; W130-V134 PolarHBondContact O-N 3.38Å; E132-V134 PolarHBondContact O-N 3.17Å; V134-L136 PolarHBondContact O-N 2.86Å; V134-A137 WeakPolarHBondContact O-CB 3.39Å; V134-A137 PolarHBondContact O-N 2.9Å; V134-R169 HydrophobicContact CG2-CG 4.31Å |
| 135 | R | 89.1 | Confident | 89.9 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -61.6 | -25 | 173.2 | -57.3 | 179.3 | -173.6 | -84.4 | -2.7 | 112.8 | V111 E132 F133 A137 D138 | V111-R135 HydrophobicContact CG1-CB 3.99Å; E132-R135 VanDerWaalsContact CD-NE 3.28Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 WeakPolarHBondContact O-CG 3.28Å; E132-R135 PolarHBondContact O-N 3.47Å; E132-R135 IonicContact OE1-CZ 2.96Å; E132-R135 IonicContact OE1-NE 3.87Å; E132-R135 PolarHBondContact OE1-NE 3.2Å; E132-R135 VanDerWaalsContact OE1-NE 3.14Å; E132-R135 IonicContact OE1-NH2 3.28Å; E132-R135 PolarHBondContact OE1-NH2 3.43Å; E132-R135 WeakPolarHBondContact OE2-CD 3.26Å; E132-R135 IonicContact OE2-CZ 3.51Å; E132-R135 IonicContact OE2-NE 3.14Å; E132-R135 PolarHBondContact OE2-NE 3.38Å; E132-R135 IonicContact OE2-NH2 3.12Å; F133-R135 PolarHBondContact O-N 3.18Å; R135-A137 PolarHBondContact O-N 3.32Å; R135-D138 VanDerWaalsContact O-CB 3.32Å; R135-D138 WeakPolarHBondContact O-CB 3.13Å; R135-D138 PolarHBondContact O-N 2.98Å |
| 136 | L | 87.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.1 | 173.9 | -61.5 | 175.4 | 0 | 0 | 0 | 112 | L108 V111 L120 M122 F133 V134 D138 L139 L142 L145 F147 L170 | L108-L136 HydrophobicContact CD1-CD1 4.02Å; L108-L136 HydrophobicContact CD1-CD2 3.96Å; L108-L136 HydrophobicContact CD1-CG 3.85Å; V111-L136 HydrophobicContact CG1-CD2 4.22Å; V111-L136 HydrophobicContact CG2-CD2 3.83Å; L120-L136 HydrophobicContact CD2-CD2 3.57Å; M122-L136 HydrophobicContact SD-CD1 4.4Å; F133-L136 HydrophobicContact CD2-CD1 4.12Å; F133-L136 HydrophobicContact CE2-CD1 4.22Å; F133-L136 VanDerWaalsContact O-CB 3.26Å; F133-L136 WeakPolarHBondContact O-CB 3.24Å; F133-L136 PolarHBondContact O-N 3Å; V134-L136 PolarHBondContact O-N 2.86Å; L136-D138 PolarHBondContact O-N 3.19Å; L136-L139 HydrophobicContact CD2-CD1 3.92Å; L136-L139 VanDerWaalsContact O-CB 3.31Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.99Å; L136-L142 HydrophobicContact CB-CD2 4.45Å; L136-L145 HydrophobicContact CD1-CD1 4.16Å; L136-L145 HydrophobicContact CD1-CD2 3.85Å; L136-F147 HydrophobicContact CD1-CD2 4.44Å; L136-F147 HydrophobicContact CD1-CE2 4.3Å; L136-L170 HydrophobicContact CB-CD1 4.15Å; L136-L170 HydrophobicContact CB-CD2 3.91Å |
| 137 | A | 86.6 | Confident | 89.7 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -68.6 | -21.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V134 R135 L139 L170 | V134-A137 WeakPolarHBondContact O-CB 3.39Å; V134-A137 PolarHBondContact O-N 2.9Å; R135-A137 PolarHBondContact O-N 3.32Å; A137-L139 PolarHBondContact O-N 3.19Å; A137-L170 VanDerWaalsContact CA-CD2 3.46Å; A137-L170 HydrophobicContact CB-CD2 3.76Å |
| 138 | D | 85.5 | Confident | 89.7 | Confident | 91 Ų | 91 | 46.3 Ų | 46.3 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.8 | -9.8 | 174.2 | -61.1 | -19.6 | 0 | 0 | 0 | 112.4 | S112 R135 L136 P140 | S112-D138 PolarHBondContact OG-OD2 3.2Å; R135-D138 VanDerWaalsContact O-CB 3.32Å; R135-D138 WeakPolarHBondContact O-CB 3.13Å; R135-D138 PolarHBondContact O-N 2.98Å; L136-D138 PolarHBondContact O-N 3.19Å; D138-P140 WeakPolarHBondContact O-CD 3.34Å |
| 139 | L | 87.3 | Confident | 89.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | trans | -87.6 | 102.7 | 178.6 | -60.3 | 173 | 0 | 0 | 0 | 109.9 | V111 L114 L117 L136 A137 S141 L142 | V111-L139 HydrophobicContact CG2-CD1 3.97Å; V111-L139 HydrophobicContact CG2-CD2 4.38Å; V111-L139 VanDerWaalsContact O-CD2 3.28Å; V111-L139 WeakPolarHBondContact O-CD2 3.48Å; L114-L139 HydrophobicContact CB-CD2 3.93Å; L114-L139 VanDerWaalsContact O-CD2 3.26Å; L114-L139 WeakPolarHBondContact O-CD2 3.43Å; L117-L139 HydrophobicContact CD2-CD1 4.16Å; L136-L139 HydrophobicContact CD2-CD1 3.92Å; L136-L139 VanDerWaalsContact O-CB 3.31Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.99Å; A137-L139 PolarHBondContact O-N 3.19Å; L139-S141 PolarHBondContact O-N 3.06Å; L139-L142 HydrophobicContact CB-CB 3.78Å; L139-L142 HydrophobicContact CD1-CB 4.28Å; L139-L142 HydrophobicContact CD1-CD1 4.41Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 HydrophobicContact CD1-CG 4.44Å | ||
| 140 | P | 84.6 | Confident | 89.7 | Confident | 80 Ų | 80 | 36.2 Ų | 36.2 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.2 | -174.1 | 29.8 | -36.2 | 0 | 0 | 0 | 112.5 | D138 | D138-P140 WeakPolarHBondContact O-CD 3.34Š|
| 141 | S | 88.3 | Confident | 89.9 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.8 | -173 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | H115 L117 K118 L139 V143 | H115-S141 PolarHBondContact O-OG 2.72Å; L117-S141 CarbonylContact O-C 3.37Å; L117-S141 WeakPolarHBondContact O-CB 3.37Å; K118-S141 WeakPolarHBondContact CA-O 3.42Å; L139-S141 PolarHBondContact O-N 3.06Å; S141-V143 WeakPolarHBondContact O-CG2 3.02Å; S141-V143 PolarHBondContact O-N 3.47Å |
| 142 | L | 90.8 | Very high | 90 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | trans | -72.1 | 121.9 | -173 | -174.9 | 71 | 0 | 0 | 0 | 110.9 | L117 L120 L136 L139 L145 L173 | L117-L142 WeakPolarHBondContact O-CA 3.19Å; L117-L142 PolarHBondContact O-N 3.5Å; L120-L142 HydrophobicContact CB-CD1 3.74Å; L136-L142 HydrophobicContact CB-CD2 4.45Å; L139-L142 HydrophobicContact CB-CB 3.78Å; L139-L142 HydrophobicContact CD1-CB 4.28Å; L139-L142 HydrophobicContact CD1-CD1 4.41Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 HydrophobicContact CD1-CG 4.44Å; L142-L145 HydrophobicContact CD2-CB 4.42Å; L142-L173 HydrophobicContact CD2-CD1 4.18Å; L142-L173 HydrophobicContact CG-CD1 4.02Å | ||
| 143 | V | 90.9 | Very high | 90.1 | Very high | 53 Ų | 53 | 33.2 Ų | 33.2 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | trans | -118.4 | -40.8 | -175 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | K118 S141 L173 K174 K175 | K118-V143 PolarHBondContact O-N 3.24Å; S141-V143 WeakPolarHBondContact O-CG2 3.02Å; S141-V143 PolarHBondContact O-N 3.47Å; V143-L173 WeakPolarHBondContact O-CD1 3.32Å; V143-K174 HydrophobicContact CG1-CB 3.67Å; V143-K174 HydrophobicContact CG1-CD 3.7Å; V143-K174 HydrophobicContact CG1-CG 3.74Å; V143-K174 PolarHBondContact O-N 2.85Å; V143-K175 PolarHBondContact O-N 3.33Å | ||
| 144 | D | 92.2 | Very high | 90.2 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.3 | -178.9 | -165.3 | -14.8 | 0 | 0 | 0 | 109.9 | K118 V119 L120 K175 | K118-D144 PolarHBondContact O-N 2.98Å; V119-D144 CarbonylContact C-O 3.1Å; V119-D144 WeakPolarHBondContact CA-O 3.47Å; V119-D144 HydrophobicContact CG1-CB 4.23Å; V119-D144 HydrophobicContact CG2-CB 4.22Å; L120-D144 PolarHBondContact N-O 2.87Å; D144-K175 WeakPolarHBondContact CA-O 3.5Å; D144-K175 HydrophobicContact CB-CB 4.34Å; D144-K175 IonicContact OD1-NZ 3.97Å; D144-K175 WeakPolarHBondContact OD2-CD 3.35Å; D144-K175 WeakPolarHBondContact OD2-CE 3.46Å; D144-K175 IonicContact OD2-NZ 2.84Å; D144-K175 PolarHBondContact OD2-NZ 3.42Å |
| 145 | L | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | 179.7 | 176.5 | 64.4 | 0 | 0 | 0 | 109.4 | L120 M122 F133 L136 L142 F147 L170 L173 K175 L176 D177 | L120-L145 HydrophobicContact CB-CD1 3.92Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; L120-L145 HydrophobicContact CG-CD1 3.88Å; L120-L145 WeakPolarHBondContact O-CA 3.07Å; M122-L145 HydrophobicContact CG-CD1 4.18Å; M122-L145 HydrophobicContact SD-CD1 4.38Å; F133-L145 HydrophobicContact CE2-CD2 3.96Å; F133-L145 HydrophobicContact CZ-CD2 4.17Å; L136-L145 HydrophobicContact CD1-CD1 4.16Å; L136-L145 HydrophobicContact CD1-CD2 3.85Å; L142-L145 HydrophobicContact CD2-CB 4.42Å; L145-F147 HydrophobicContact CD1-CD2 4.43Å; L145-F147 HydrophobicContact CG-CB 4.34Å; L145-L170 HydrophobicContact CD2-CD1 3.63Å; L145-L173 HydrophobicContact CB-CD1 3.63Å; L145-L173 HydrophobicContact CB-CD2 3.88Å; L145-L173 HydrophobicContact CB-CG 4.39Å; L145-L173 HydrophobicContact CD2-CD2 4.26Å; L145-K175 PolarHBondContact N-O 3.27Å; L145-L176 HydrophobicContact CB-CD1 4.23Å; L145-L176 HydrophobicContact CD2-CD1 3.93Å; L145-L176 HydrophobicContact CG-CD1 4.1Å; L145-L176 CarbonylContact O-C 3.2Å; L145-L176 VanDerWaalsContact O-CA 3.31Å; L145-L176 WeakPolarHBondContact O-CA 3.26Å; L145-D177 PolarHBondContact O-N 3.42Å |
| 146 | V | 93.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 118.1 | 167.9 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | L120 Y121 M122 S123 | L120-V146 PolarHBondContact O-N 3.42Å; Y121-V146 HydrophobicContact CD1-CB 3.69Å; Y121-V146 HydrophobicContact CD1-CG2 3.39Å; Y121-V146 HydrophobicContact CE1-CB 4.34Å; Y121-V146 HydrophobicContact CE1-CG2 3.53Å; Y121-V146 HydrophobicContact CG-CB 4.4Å; Y121-V146 HydrophobicContact CG-CG2 4.37Å; M122-V146 CarbonylContact C-O 3.28Å; M122-V146 WeakPolarHBondContact CA-O 3.39Å; M122-V146 WeakPolarHBondContact CG-O 3.35Å; M122-V146 PolarHBondContact N-O 2.92Å; S123-V146 PolarHBondContact N-O 3.37Å |
| 147 | F | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -128.7 | 0.4 | -172.6 | -157.3 | -90.2 | 0 | 0 | 0 | 112.6 | L108 M122 V127 F133 L136 L145 N150 L152 Q153 W162 D177 | L108-F147 HydrophobicContact CD1-CE2 4.43Å; M122-F147 HydrophobicContact CE-CD2 3.61Å; M122-F147 HydrophobicContact CE-CE2 3.19Å; M122-F147 HydrophobicContact CE-CZ 4.05Å; M122-F147 HydrophobicContact CG-CD2 3.64Å; M122-F147 HydrophobicContact CG-CE2 4.22Å; M122-F147 HydrophobicContact CG-CG 4.49Å; M122-F147 HydrophobicContact SD-CD2 3.43Å; M122-F147 WeakPolarHBondContact SD-CD2 3.15Å; M122-F147 HydrophobicContact SD-CE2 3.48Å; M122-F147 WeakPolarHBondContact SD-CE2 3.4Å; V127-F147 HydrophobicContact CB-CE1 4.32Å; V127-F147 HydrophobicContact CB-CE2 4.42Å; V127-F147 HydrophobicContact CB-CZ 3.6Å; V127-F147 HydrophobicContact CG1-CZ 3.7Å; V127-F147 HydrophobicContact CG2-CE2 4.48Å; V127-F147 HydrophobicContact CG2-CZ 4.12Å; F133-F147 HydrophobicContact CD2-CD2 4.29Å; F133-F147 HydrophobicContact CD2-CE1 4.23Å; F133-F147 AromaticContact CD2-CE2 3.92Å; F133-F147 HydrophobicContact CD2-CE2 3.92Å; F133-F147 AromaticContact CD2-CZ 3.89Å; F133-F147 HydrophobicContact CD2-CZ 3.89Å; F133-F147 HydrophobicContact CE2-CD2 4.24Å; F133-F147 HydrophobicContact CE2-CE2 4.33Å; F133-F147 HydrophobicContact CE2-CG 4.33Å; L136-F147 HydrophobicContact CD1-CD2 4.44Å; L136-F147 HydrophobicContact CD1-CE2 4.3Å; L145-F147 HydrophobicContact CD1-CD2 4.43Å; L145-F147 HydrophobicContact CG-CB 4.34Å; F147-N150 HydrophobicContact CD1-CB 3.67Å; F147-N150 HydrophobicContact CE1-CB 3.35Å; F147-N150 HydrophobicContact CZ-CB 4.09Å; F147-N150 PolarHBondContact O-N 3.08Å; F147-N150 PolarHBondContact O-ND2 3.13Å; F147-L152 HydrophobicContact CE1-CB 4.29Å; F147-L152 HydrophobicContact CE1-CD2 4.17Å; F147-L152 HydrophobicContact CZ-CD2 4.41Å; F147-Q153 HydrophobicContact CD1-CB 3.9Å; F147-Q153 HydrophobicContact CE1-CB 4.45Å; F147-W162 HydrophobicContact CB-CH2 4.39Å; F147-W162 HydrophobicContact CB-CZ2 3.97Å; F147-W162 AromaticContact CD1-CH2 3.48Å; F147-W162 HydrophobicContact CD1-CH2 3.48Å; F147-W162 VanDerWaalsContact CD1-CH2 3.48Å; F147-W162 AromaticContact CD1-CZ2 3.83Å; F147-W162 HydrophobicContact CD1-CZ2 3.83Å; F147-W162 HydrophobicContact CD1-CZ3 4.48Å; F147-W162 AromaticContact CE1-CH2 3.94Å; F147-W162 HydrophobicContact CE1-CH2 3.94Å; F147-W162 HydrophobicContact CG-CH2 4.1Å; F147-W162 HydrophobicContact CG-CZ2 4.19Å; F147-D177 WeakPolarHBondContact CA-OD1 3.47Å; F147-D177 PolarHBondContact N-OD1 2.74Å | ||
| 148 | N | 92.1 | Very high | 90.3 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 140 | 177.1 | -172 | 8.3 | 0 | 0 | 0 | 113.4 | S123 N124 N150 Q153 D177 | S123-N148 CarbonylContact C-O 3.23Å; S123-N148 WeakPolarHBondContact CA-O 3.02Å; S123-N148 WeakPolarHBondContact CB-O 3.15Å; N124-N148 PolarHBondContact N-O 3.4Å; N148-N150 VanDerWaalsContact C-N 3.33Å; N148-Q153 PolarHBondContact OD1-OE1 2.96Å; N148-D177 PolarHBondContact N-OD1 3.35Å |
| 149 | G | 89.4 | Confident | 90.5 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 16.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N124 | N124-G149 WeakPolarHBondContact CA-O 3.29Š|
| 150 | N | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -91.8 | 142 | 163.8 | -79 | -91.7 | 0 | 0 | 0 | 109 | M122 N125 L126 V127 F147 N148 L152 Q153 E154 | M122-N150 PolarHBondContact O-ND2 3.29Å; N125-N150 WeakPolarHBondContact CA-OD1 3.28Å; N125-N150 WeakPolarHBondContact CB-OD1 3.33Å; N125-N150 PolarHBondContact O-OD1 3.48Å; L126-N150 PolarHBondContact N-OD1 3.23Å; V127-N150 WeakPolarHBondContact CB-OD1 3.37Å; V127-N150 PolarHBondContact N-OD1 3.14Å; V127-N150 VanDerWaalsContact N-OD1 3.14Å; F147-N150 HydrophobicContact CD1-CB 3.67Å; F147-N150 HydrophobicContact CE1-CB 3.35Å; F147-N150 HydrophobicContact CZ-CB 4.09Å; F147-N150 PolarHBondContact O-N 3.08Å; F147-N150 PolarHBondContact O-ND2 3.13Å; N148-N150 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 3.33Å; N150-L152 VanDerWaalsContact O-N 3.08Å; N150-Q153 WeakPolarHBondContact O-CA 3.47Å; N150-Q153 PolarHBondContact O-N 2.79Å; N150-E154 PolarHBondContact O-N 3.38Å |
| 151 | P | 93.1 | Very high | 90.7 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.2 | -36.7 | 178.7 | -29.6 | 33.7 | 0 | 0 | 0 | 114.4 | N125 V127 K128 K155 | N125-P151 VanDerWaalsContact O-CD 3.28Å; N125-P151 WeakPolarHBondContact O-CD 3.38Å; V127-P151 WeakPolarHBondContact O-CD 3.35Å; K128-P151 HydrophobicContact CB-CB 4.42Å; P151-K155 VanDerWaalsContact O-CB 3.31Å; P151-K155 WeakPolarHBondContact O-CB 3.42Å; P151-K155 PolarHBondContact O-N 2.8Å; P151-K155 VanDerWaalsContact O-N 3.1Å |
| 152 | L | 92.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 174.2 | 179.7 | 70.7 | 0 | 0 | 0 | 111.6 | V127 K128 W130 F133 F147 N150 H156 W162 | V127-L152 VanDerWaalsContact O-CB 3.31Å; V127-L152 WeakPolarHBondContact O-CB 3.37Å; V127-L152 PolarHBondContact O-N 3.24Å; K128-L152 WeakPolarHBondContact O-CD1 3.41Å; W130-L152 HydrophobicContact CD2-CD1 3.92Å; W130-L152 HydrophobicContact CD2-CD2 4.15Å; W130-L152 HydrophobicContact CD2-CG 4.46Å; W130-L152 HydrophobicContact CE3-CD2 3.99Å; W130-L152 HydrophobicContact CG-CD1 3.99Å; W130-L152 HydrophobicContact CZ2-CD1 4.36Å; W130-L152 HydrophobicContact CZ3-CD2 4.28Å; F133-L152 HydrophobicContact CB-CD2 3.77Å; F133-L152 HydrophobicContact CD2-CD2 4.19Å; F133-L152 HydrophobicContact CG-CD2 4.17Å; F147-L152 HydrophobicContact CE1-CB 4.29Å; F147-L152 HydrophobicContact CE1-CD2 4.17Å; F147-L152 HydrophobicContact CZ-CD2 4.41Å; N150-L152 PolarHBondContact O-N 3.33Å; N150-L152 VanDerWaalsContact O-N 3.08Å; L152-H156 PolarHBondContact O-CD2 2.9Å; L152-H156 VanDerWaalsContact O-CD2 3.27Å; L152-H156 PolarHBondContact O-N 3.49Å; L152-W162 HydrophobicContact CD2-CZ3 4.15Å; L152-W162 HydrophobicContact CG-CZ3 4.12Å |
| 153 | Q | 91.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -43.2 | -178.8 | 178.7 | -84.6 | -27.1 | 0 | 0 | 111.2 | F147 N148 N150 K155 H156 A157 W162 | F147-Q153 HydrophobicContact CD1-CB 3.9Å; F147-Q153 HydrophobicContact CE1-CB 4.45Å; N148-Q153 PolarHBondContact OD1-OE1 2.96Å; N150-Q153 WeakPolarHBondContact O-CA 3.47Å; N150-Q153 PolarHBondContact O-N 2.79Å; Q153-K155 VanDerWaalsContact C-N 3.31Å; Q153-K155 PolarHBondContact O-N 2.95Å; Q153-H156 PolarHBondContact O-N 3.23Å; Q153-A157 WeakPolarHBondContact O-CA 3.45Å; Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.47Å; Q153-W162 HydrophobicContact CB-CD2 4Å; Q153-W162 HydrophobicContact CB-CE3 4.04Å; Q153-W162 HydrophobicContact CB-CH2 3.87Å; Q153-W162 HydrophobicContact CB-CZ2 3.83Å; Q153-W162 HydrophobicContact CB-CZ3 3.98Å; Q153-W162 HydrophobicContact CG-CD2 3.59Å; Q153-W162 HydrophobicContact CG-CE3 4.16Å; Q153-W162 HydrophobicContact CG-CG 3.93Å; Q153-W162 HydrophobicContact CG-CH2 4.24Å; Q153-W162 HydrophobicContact CG-CZ2 3.7Å; Q153-W162 HydrophobicContact CG-CZ3 4.46Å |
| 154 | E | 91.5 | Very high | 90.3 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.5 | -70.3 | -176.6 | 170.1 | 0 | 0 | 111.3 | N150 A157 M158 | N150-E154 PolarHBondContact O-N 3.38Å; E154-A157 PolarHBondContact O-N 3.04Å; E154-M158 VanDerWaalsContact O-CG 3.26Å; E154-M158 WeakPolarHBondContact O-CG 3.38Å; E154-M158 PolarHBondContact O-N 3.46Å |
| 155 | K | 91.1 | Very high | 90.2 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.5 | -52.9 | 177.5 | -176.6 | -177.3 | 175.6 | -171.7 | 0 | 112 | P151 Q153 M158 E159 | P151-K155 VanDerWaalsContact O-CB 3.31Å; P151-K155 WeakPolarHBondContact O-CB 3.42Å; P151-K155 PolarHBondContact O-N 2.8Å; P151-K155 VanDerWaalsContact O-N 3.1Å; Q153-K155 VanDerWaalsContact C-N 3.31Å; Q153-K155 PolarHBondContact O-N 2.95Å; K155-M158 PolarHBondContact O-N 3.31Å; K155-E159 WeakPolarHBondContact O-CG 3.29Å; K155-E159 PolarHBondContact O-N 2.93Å |
| 156 | H | 89.5 | Confident | 90 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.4 | -21.4 | -177.1 | -74.3 | -69.2 | 0 | 0 | 0 | 113.5 | W130 L152 Q153 E159 G160 S161 W162 E165 | W130-H156 AromaticContact CD1-NE2 3.9Å; W130-H156 AromaticContact CE2-CD2 3.68Å; W130-H156 AromaticContact CE2-NE2 3.56Å; W130-H156 HydrophobicContact CZ2-CB 4.42Å; W130-H156 AromaticContact CZ2-CD2 3.44Å; W130-H156 VanDerWaalsContact CZ2-CD2 3.44Å; W130-H156 WeakPolarHBondContact CZ2-CD2 3.46Å; W130-H156 AromaticContact CZ2-CG 3.78Å; W130-H156 AromaticContact CZ2-NE2 3.75Å; W130-H156 AromaticContact NE1-CD2 3.49Å; W130-H156 PolarHBondContact NE1-CD2 2.98Å; W130-H156 AromaticContact NE1-CE1 3.53Å; W130-H156 AromaticContact NE1-NE2 2.88Å; W130-H156 PolarHBondContact NE1-NE2 3.13Å; L152-H156 PolarHBondContact O-CD2 2.9Å; L152-H156 VanDerWaalsContact O-CD2 3.27Å; L152-H156 PolarHBondContact O-N 3.49Å; Q153-H156 PolarHBondContact O-N 3.23Å; H156-E159 IonicContact CE1-OE2 3.56Å; H156-E159 IonicContact ND1-OE2 2.86Å; H156-E159 PolarHBondContact ND1-OE2 3.02Å; H156-E159 VanDerWaalsContact ND1-OE2 3.12Å; H156-E159 PolarHBondContact O-N 3.15Å; H156-G160 PolarHBondContact O-N 3.29Å; H156-S161 PolarHBondContact ND1-OG 3.45Å; H156-S161 PolarHBondContact O-N 2.78Å; H156-W162 HydrophobicContact CB-CB 4Å; H156-W162 HydrophobicContact CB-CE3 4.16Å; H156-W162 PolarHBondContact O-N 2.87Å; H156-W162 VanDerWaalsContact O-N 3.08Å; H156-E165 IonicContact CE1-OE1 2.94Å; H156-E165 IonicContact ND1-OE1 3.96Å; H156-E165 PolarHBondContact ND1-OE1 3.42Å |
| 157 | A | 88.4 | Confident | 89.6 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.4 | -37.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q153 E154 E159 G160 W162 | Q153-A157 WeakPolarHBondContact O-CA 3.45Å; Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.47Å; E154-A157 PolarHBondContact O-N 3.04Å; A157-E159 VanDerWaalsContact C-N 3.28Å; A157-E159 PolarHBondContact O-N 3.27Å; A157-G160 PolarHBondContact O-N 3.23Å; A157-G160 VanDerWaalsContact O-N 3.13Å; A157-W162 HydrophobicContact CB-CB 4.28Å |
| 158 | M | 85.9 | Confident | 89.5 | Confident | 171 Ų | 171 | 61.7 Ų | 61.7 | 84% | 0.842 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.2 | -34.5 | 171.4 | -70.4 | 178.5 | 76.4 | 0 | 0 | 112.3 | E154 K155 G160 | E154-M158 VanDerWaalsContact O-CG 3.26Å; E154-M158 WeakPolarHBondContact O-CG 3.38Å; E154-M158 PolarHBondContact O-N 3.46Å; K155-M158 PolarHBondContact O-N 3.31Å; M158-G160 VanDerWaalsContact C-N 3.27Å |
| 159 | E | 88.8 | Confident | 89.3 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.2 | 174.5 | -66.7 | 169.9 | -174.3 | 0 | 0 | 112.9 | K155 H156 A157 S161 | K155-E159 WeakPolarHBondContact O-CG 3.29Å; K155-E159 PolarHBondContact O-N 2.93Å; H156-E159 IonicContact CE1-OE2 3.56Å; H156-E159 IonicContact ND1-OE2 2.86Å; H156-E159 PolarHBondContact ND1-OE2 3.02Å; H156-E159 VanDerWaalsContact ND1-OE2 3.12Å; H156-E159 PolarHBondContact O-N 3.15Å; A157-E159 VanDerWaalsContact C-N 3.28Å; A157-E159 PolarHBondContact O-N 3.27Å; E159-S161 PolarHBondContact O-N 3.19Å |
| 160 | G | 87.3 | Confident | 89.3 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 2.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H156 A157 M158 | H156-G160 PolarHBondContact O-N 3.29Å; A157-G160 PolarHBondContact O-N 3.23Å; A157-G160 VanDerWaalsContact O-N 3.13Å; M158-G160 VanDerWaalsContact C-N 3.27Å |
| 161 | S | 89.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | trans | -92.6 | -10 | -176.9 | 74 | 0 | 0 | 0 | 0 | 114.3 | H156 E159 M163 E164 E165 | H156-S161 PolarHBondContact ND1-OG 3.45Å; H156-S161 PolarHBondContact O-N 2.78Å; E159-S161 PolarHBondContact O-N 3.19Å; S161-M163 PolarHBondContact O-N 3.14Å; S161-E164 PolarHBondContact O-N 2.9Å; S161-E165 VanDerWaalsContact O-CB 3.32Å; S161-E165 WeakPolarHBondContact O-CB 3.29Å; S161-E165 PolarHBondContact O-N 2.91Å; S161-E165 PolarHBondContact OG-OE1 3.28Å | ||
| 162 | W | 89.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.2 | -53.7 | -171.6 | 170.4 | -114.3 | 0 | 0 | 0 | 114.4 | W130 F133 F147 L152 Q153 H156 A157 E164 E165 A166 L176 D177 | W130-W162 AromaticContact CH2-CE3 3.7Å; W130-W162 HydrophobicContact CH2-CE3 3.7Å; W130-W162 AromaticContact CH2-CZ3 3.54Å; W130-W162 HydrophobicContact CH2-CZ3 3.54Å; W130-W162 HydrophobicContact CZ2-CE3 4.3Å; W130-W162 HydrophobicContact CZ2-CZ3 4.31Å; W130-W162 HydrophobicContact CZ3-CE3 4.5Å; W130-W162 AromaticContact CZ3-CZ3 3.92Å; W130-W162 HydrophobicContact CZ3-CZ3 3.92Å; F133-W162 AromaticContact CD2-CH2 3.98Å; F133-W162 HydrophobicContact CD2-CH2 3.98Å; F133-W162 AromaticContact CE2-CH2 3.49Å; F133-W162 HydrophobicContact CE2-CH2 3.49Å; F133-W162 VanDerWaalsContact CE2-CH2 3.49Å; F133-W162 HydrophobicContact CE2-CZ2 4.15Å; F133-W162 HydrophobicContact CE2-CZ3 4.35Å; F133-W162 HydrophobicContact CZ-CH2 4.05Å; F147-W162 HydrophobicContact CB-CH2 4.39Å; F147-W162 HydrophobicContact CB-CZ2 3.97Å; F147-W162 AromaticContact CD1-CH2 3.48Å; F147-W162 HydrophobicContact CD1-CH2 3.48Å; F147-W162 VanDerWaalsContact CD1-CH2 3.48Å; F147-W162 AromaticContact CD1-CZ2 3.83Å; F147-W162 HydrophobicContact CD1-CZ2 3.83Å; F147-W162 HydrophobicContact CD1-CZ3 4.48Å; F147-W162 AromaticContact CE1-CH2 3.94Å; F147-W162 HydrophobicContact CE1-CH2 3.94Å; F147-W162 HydrophobicContact CG-CH2 4.1Å; F147-W162 HydrophobicContact CG-CZ2 4.19Å; L152-W162 HydrophobicContact CD2-CZ3 4.15Å; L152-W162 HydrophobicContact CG-CZ3 4.12Å; Q153-W162 HydrophobicContact CB-CD2 4Å; Q153-W162 HydrophobicContact CB-CE3 4.04Å; Q153-W162 HydrophobicContact CB-CH2 3.87Å; Q153-W162 HydrophobicContact CB-CZ2 3.83Å; Q153-W162 HydrophobicContact CB-CZ3 3.98Å; Q153-W162 HydrophobicContact CG-CD2 3.59Å; Q153-W162 HydrophobicContact CG-CE3 4.16Å; Q153-W162 HydrophobicContact CG-CG 3.93Å; Q153-W162 HydrophobicContact CG-CH2 4.24Å; Q153-W162 HydrophobicContact CG-CZ2 3.7Å; Q153-W162 HydrophobicContact CG-CZ3 4.46Å; H156-W162 HydrophobicContact CB-CB 4Å; H156-W162 HydrophobicContact CB-CE3 4.16Å; H156-W162 PolarHBondContact O-N 2.87Å; H156-W162 VanDerWaalsContact O-N 3.08Å; A157-W162 HydrophobicContact CB-CB 4.28Å; W162-E164 PolarHBondContact O-N 3.33Å; W162-E165 PolarHBondContact O-N 2.96Å; W162-A166 HydrophobicContact CD2-CB 4.33Å; W162-A166 HydrophobicContact CE3-CB 4.41Å; W162-A166 HydrophobicContact CH2-CB 4.31Å; W162-A166 HydrophobicContact CZ2-CB 4.19Å; W162-A166 HydrophobicContact CZ3-CB 4.41Å; W162-A166 WeakPolarHBondContact O-CB 3.32Å; W162-A166 PolarHBondContact O-N 3.35Å; W162-L176 HydrophobicContact CZ2-CD1 4.25Å; W162-D177 PolarHBondContact NE1-OD2 3.39Å |
| 163 | M | 85.7 | Confident | 88 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | -175.5 | -71.6 | -65.2 | -65.4 | 0 | 0 | 112 | S161 S167 L176 I179 I181 | S161-M163 PolarHBondContact O-N 3.14Å; M163-S167 WeakPolarHBondContact O-CB 3.44Å; M163-S167 PolarHBondContact O-N 2.79Å; M163-S167 PolarHBondContact O-OG 3.29Å; M163-L176 HydrophobicContact CE-CB 4.18Å; M163-L176 HydrophobicContact CE-CD2 4.26Å; M163-L176 HydrophobicContact SD-CB 4.29Å; M163-L176 HydrophobicContact SD-CD2 3.69Å; M163-L176 HydrophobicContact SD-CG 4.03Å; M163-I179 HydrophobicContact CE-CB 3.97Å; M163-I179 HydrophobicContact CE-CD1 4.34Å; M163-I179 HydrophobicContact CE-CG2 3.97Å; M163-I179 HydrophobicContact SD-CD1 4.21Å; M163-I181 HydrophobicContact CE-CG1 4.25Å |
| 164 | E | 86.9 | Confident | 87.8 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 178.5 | -173.7 | -177.3 | 168.5 | 0 | 0 | 110.7 | S161 W162 A166 S167 K168 | S161-E164 PolarHBondContact O-N 2.9Å; W162-E164 PolarHBondContact O-N 3.33Å; E164-A166 PolarHBondContact O-N 2.86Å; E164-S167 PolarHBondContact O-OG 3.26Å; E164-S167 VanDerWaalsContact O-OG 3.06Å; E164-K168 VanDerWaalsContact O-CB 3.28Å; E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 2.99Å |
| 165 | E | 89.7 | Confident | 87.8 | Confident | 48 Ų | 48 | 71 Ų | 71 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.7 | -39.5 | -178.3 | -82.5 | -154.5 | -127.5 | 0 | 0 | 113.6 | W130 H156 S161 W162 R169 | W130-E165 VanDerWaalsContact CE2-OE2 3.31Å; W130-E165 HydrophobicContact CH2-CB 3.57Å; W130-E165 HydrophobicContact CZ2-CB 3.64Å; W130-E165 HydrophobicContact CZ2-CG 4.34Å; W130-E165 WeakPolarHBondContact CZ2-OE2 3.18Å; W130-E165 PolarHBondContact NE1-OE2 2.87Å; H156-E165 IonicContact CE1-OE1 2.94Å; H156-E165 IonicContact ND1-OE1 3.96Å; H156-E165 PolarHBondContact ND1-OE1 3.42Å; S161-E165 VanDerWaalsContact O-CB 3.32Å; S161-E165 WeakPolarHBondContact O-CB 3.29Å; S161-E165 PolarHBondContact O-N 2.91Å; S161-E165 PolarHBondContact OG-OE1 3.28Å; W162-E165 PolarHBondContact O-N 2.96Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.06Å; E165-R169 PolarHBondContact O-NH1 3.12Å; E165-R169 IonicContact OE2-CZ 2.9Å; E165-R169 IonicContact OE2-NH1 3.38Å; E165-R169 PolarHBondContact OE2-NH1 3.27Å; E165-R169 IonicContact OE2-NH2 3.83Å; E165-R169 PolarHBondContact OE2-NH2 3.15Å |
| 166 | A | 88.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.7 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W130 F133 W162 E164 K168 R169 L170 L176 | W130-A166 HydrophobicContact CH2-CB 4.49Å; F133-A166 HydrophobicContact CE1-CB 4.01Å; F133-A166 HydrophobicContact CZ-CB 3.67Å; W162-A166 HydrophobicContact CD2-CB 4.33Å; W162-A166 HydrophobicContact CE3-CB 4.41Å; W162-A166 HydrophobicContact CH2-CB 4.31Å; W162-A166 HydrophobicContact CZ2-CB 4.19Å; W162-A166 HydrophobicContact CZ3-CB 4.41Å; W162-A166 WeakPolarHBondContact O-CB 3.32Å; W162-A166 PolarHBondContact O-N 3.35Å; E164-A166 PolarHBondContact O-N 2.86Å; A166-K168 VanDerWaalsContact C-N 3.32Å; A166-K168 PolarHBondContact O-N 3.36Å; A166-R169 PolarHBondContact O-N 3.46Å; A166-L170 PolarHBondContact O-N 3.3Å; A166-L176 HydrophobicContact CB-CD2 3.4Å; A166-L176 VanDerWaalsContact CB-CD2 3.4Å |
| 167 | S | 86.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | M163 E164 L170 | M163-S167 WeakPolarHBondContact O-CB 3.44Å; M163-S167 PolarHBondContact O-N 2.79Å; M163-S167 PolarHBondContact O-OG 3.29Å; E164-S167 PolarHBondContact O-OG 3.26Å; E164-S167 VanDerWaalsContact O-OG 3.06Å; S167-L170 CarbonylContact O-C 3.22Å |
| 168 | K | 88.6 | Confident | 87.3 | Confident | 171 Ų | 171 | 65.9 Ų | 65.9 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.9 | -38.2 | 172.4 | -174.8 | 174.7 | -176.8 | 174.4 | 0 | 112.4 | E164 A166 | E164-K168 VanDerWaalsContact O-CB 3.28Å; E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 2.99Å; A166-K168 VanDerWaalsContact C-N 3.32Å; A166-K168 PolarHBondContact O-N 3.36Å |
| 169 | R | 89.1 | Confident | 87.3 | Confident | 74 Ų | 74 | 62 Ų | 62 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -82.7 | -29.6 | -179.7 | -70.5 | 173.2 | 179.3 | 92.4 | -15.4 | 112.7 | W130 F133 V134 E165 A166 P171 | W130-R169 VanDerWaalsContact CD2-CZ 3.48Å; F133-R169 HydrophobicContact CD1-CB 4.34Å; F133-R169 HydrophobicContact CE1-CB 4.22Å; V134-R169 HydrophobicContact CG2-CG 4.31Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.06Å; E165-R169 PolarHBondContact O-NH1 3.12Å; E165-R169 IonicContact OE2-CZ 2.9Å; E165-R169 IonicContact OE2-NH1 3.38Å; E165-R169 PolarHBondContact OE2-NH1 3.27Å; E165-R169 IonicContact OE2-NH2 3.83Å; E165-R169 PolarHBondContact OE2-NH2 3.15Å; A166-R169 PolarHBondContact O-N 3.46Å; R169-P171 VanDerWaalsContact C-CD 3.44Å; R169-P171 VanDerWaalsContact O-CD 3.27Å; R169-P171 WeakPolarHBondContact O-CD 3.37Å |
| 170 | L | 87.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | trans | -116.4 | 75.3 | 177.1 | -61.2 | 179.7 | 0 | 0 | 0 | 110.5 | F133 L136 A137 L145 A166 S167 N172 L173 | F133-L170 HydrophobicContact CD1-CD1 4.47Å; F133-L170 HydrophobicContact CE1-CD1 3.55Å; F133-L170 HydrophobicContact CE1-CG 3.68Å; F133-L170 HydrophobicContact CE2-CD1 4.17Å; F133-L170 HydrophobicContact CZ-CD1 3.36Å; F133-L170 HydrophobicContact CZ-CG 4.02Å; L136-L170 HydrophobicContact CB-CD1 4.15Å; L136-L170 HydrophobicContact CB-CD2 3.91Å; A137-L170 VanDerWaalsContact CA-CD2 3.46Å; A137-L170 HydrophobicContact CB-CD2 3.76Å; L145-L170 HydrophobicContact CD2-CD1 3.63Å; A166-L170 PolarHBondContact O-N 3.3Å; S167-L170 CarbonylContact O-C 3.22Å; L170-N172 PolarHBondContact O-N 2.95Å; L170-L173 HydrophobicContact CB-CB 4.08Å; L170-L173 HydrophobicContact CD1-CD2 4.35Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 PolarHBondContact O-N 3.29Å | ||
| 171 | P | 82.1 | Confident | 86.8 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.9 | -175.1 | 27.9 | -35.8 | 0 | 0 | 0 | 113.6 | R169 L173 K183 | R169-P171 VanDerWaalsContact C-CD 3.44Å; R169-P171 VanDerWaalsContact O-CD 3.27Å; R169-P171 WeakPolarHBondContact O-CD 3.37Å; P171-L173 VanDerWaalsContact C-N 3.33Å; P171-K183 VanDerWaalsContact C-NZ 3.33Å; P171-K183 VanDerWaalsContact CA-NZ 3.28Å; P171-K183 WeakPolarHBondContact O-CE 3.41Å; P171-K183 PolarHBondContact O-NZ 3.21Å |
| 172 | N | 83.7 | Confident | 85.8 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -7.4 | -179.4 | -62.5 | -30.4 | 0 | 0 | 0 | 113.3 | L170 | L170-N172 PolarHBondContact O-N 2.95Š|
| 173 | L | 86.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | trans | -75.4 | 128.5 | -174.4 | -164.7 | 71.8 | 0 | 0 | 0 | 110.9 | L142 V143 L145 L170 P171 K175 L176 I181 | L142-L173 HydrophobicContact CD2-CD1 4.18Å; L142-L173 HydrophobicContact CG-CD1 4.02Å; V143-L173 WeakPolarHBondContact O-CD1 3.32Å; L145-L173 HydrophobicContact CB-CD1 3.63Å; L145-L173 HydrophobicContact CB-CD2 3.88Å; L145-L173 HydrophobicContact CB-CG 4.39Å; L145-L173 HydrophobicContact CD2-CD2 4.26Å; L170-L173 HydrophobicContact CB-CB 4.08Å; L170-L173 HydrophobicContact CD1-CD2 4.35Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 PolarHBondContact O-N 3.29Å; P171-L173 VanDerWaalsContact C-N 3.33Å; L173-K175 WeakPolarHBondContact CG-O 3.47Å; L173-L176 HydrophobicContact CD2-CB 3.71Å; L173-L176 HydrophobicContact CD2-CD1 3.76Å; L173-L176 HydrophobicContact CD2-CG 4.19Å; L173-I181 HydrophobicContact CB-CD1 4.22Å; L173-I181 HydrophobicContact CD2-CD1 4Å; L173-I181 HydrophobicContact CG-CD1 4.24Å | ||
| 174 | K | 88.1 | Confident | 82.6 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -96.7 | -21.3 | 176.7 | -60.8 | -171.5 | -176.2 | -174.2 | 0 | 112.8 | V143 P180 I181 | V143-K174 HydrophobicContact CG1-CB 3.67Å; V143-K174 HydrophobicContact CG1-CD 3.7Å; V143-K174 HydrophobicContact CG1-CG 3.74Å; V143-K174 PolarHBondContact O-N 2.85Å; K174-P180 CarbonylContact O-C 3.37Å; K174-P180 WeakPolarHBondContact O-CA 3.16Å; K174-I181 PolarHBondContact O-N 3.08Å |
| 175 | K | 90.4 | Very high | 80.5 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 128.6 | -178.7 | -172.9 | 170.9 | 158.3 | -144.4 | 0 | 110.7 | V143 D144 L145 L173 I179 | V143-K175 PolarHBondContact O-N 3.33Å; D144-K175 WeakPolarHBondContact CA-O 3.5Å; D144-K175 HydrophobicContact CB-CB 4.34Å; D144-K175 IonicContact OD1-NZ 3.97Å; D144-K175 WeakPolarHBondContact OD2-CD 3.35Å; D144-K175 WeakPolarHBondContact OD2-CE 3.46Å; D144-K175 IonicContact OD2-NZ 2.84Å; D144-K175 PolarHBondContact OD2-NZ 3.42Å; L145-K175 PolarHBondContact N-O 3.27Å; L173-K175 WeakPolarHBondContact CG-O 3.47Å; K175-I179 WeakPolarHBondContact CA-O 3.38Å |
| 176 | L | 90.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.7 | 179.9 | -178.9 | 62.1 | 0 | 0 | 0 | 109.2 | L145 W162 M163 A166 L173 G178 I179 I181 | L145-L176 HydrophobicContact CB-CD1 4.23Å; L145-L176 HydrophobicContact CD2-CD1 3.93Å; L145-L176 HydrophobicContact CG-CD1 4.1Å; L145-L176 CarbonylContact O-C 3.2Å; L145-L176 VanDerWaalsContact O-CA 3.31Å; L145-L176 WeakPolarHBondContact O-CA 3.26Å; W162-L176 HydrophobicContact CZ2-CD1 4.25Å; M163-L176 HydrophobicContact CE-CB 4.18Å; M163-L176 HydrophobicContact CE-CD2 4.26Å; M163-L176 HydrophobicContact SD-CB 4.29Å; M163-L176 HydrophobicContact SD-CD2 3.69Å; M163-L176 HydrophobicContact SD-CG 4.03Å; A166-L176 HydrophobicContact CB-CD2 3.4Å; A166-L176 VanDerWaalsContact CB-CD2 3.4Å; L173-L176 HydrophobicContact CD2-CB 3.71Å; L173-L176 HydrophobicContact CD2-CD1 3.76Å; L173-L176 HydrophobicContact CD2-CG 4.19Å; L176-G178 PolarHBondContact O-N 3.1Å; L176-G178 VanDerWaalsContact O-N 3.15Å; L176-I179 PolarHBondContact N-O 3.02Å; L176-I179 WeakPolarHBondContact O-CA 3.31Å; L176-I179 WeakPolarHBondContact O-CB 3.28Å; L176-I179 PolarHBondContact O-N 2.89Å; L176-I181 HydrophobicContact CB-CD1 3.77Å; L176-I181 HydrophobicContact CB-CG1 4.17Å; L176-I181 HydrophobicContact CD2-CD1 4.48Å |
| 177 | D | 86.8 | Confident | 75.5 | Confident | 34 Ų | 34 | 93.4 Ų | 93.4 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.5 | 177.4 | -65.2 | -45.5 | 0 | 0 | 0 | 114.5 | L145 F147 N148 W162 I179 | L145-D177 PolarHBondContact O-N 3.42Å; F147-D177 WeakPolarHBondContact CA-OD1 3.47Å; F147-D177 PolarHBondContact N-OD1 2.74Å; N148-D177 PolarHBondContact N-OD1 3.35Å; W162-D177 PolarHBondContact NE1-OD2 3.39Å; D177-I179 PolarHBondContact O-N 2.87Å |
| 178 | G | 82 | Confident | 74.9 | Confident | 44 Ų | 44 | 96.6 Ų | 96.6 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L176 | L176-G178 PolarHBondContact O-N 3.1Å; L176-G178 VanDerWaalsContact O-N 3.15Å |
| 179 | I | 85 | Confident | 74.2 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.1 | -178.8 | -53.4 | 174.9 | 0 | 0 | 0 | 109.1 | M163 K175 L176 D177 I181 | M163-I179 HydrophobicContact CE-CB 3.97Å; M163-I179 HydrophobicContact CE-CD1 4.34Å; M163-I179 HydrophobicContact CE-CG2 3.97Å; M163-I179 HydrophobicContact SD-CD1 4.21Å; K175-I179 WeakPolarHBondContact CA-O 3.38Å; L176-I179 PolarHBondContact N-O 3.02Å; L176-I179 WeakPolarHBondContact O-CA 3.31Å; L176-I179 WeakPolarHBondContact O-CB 3.28Å; L176-I179 PolarHBondContact O-N 2.89Å; D177-I179 PolarHBondContact O-N 2.87Å; I179-I181 PolarHBondContact O-N 2.94Å |
| 180 | P | 84.2 | Confident | 73.3 | Confident | 83 Ų | 83 | 93.7 Ų | 93.7 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 126.4 | 173 | 27.6 | -32 | 0 | 0 | 0 | 109.6 | K174 I182 | K174-P180 CarbonylContact O-C 3.37Å; K174-P180 WeakPolarHBondContact O-CA 3.16Å; P180-I182 PolarHBondContact O-N 2.88Å; P180-I182 VanDerWaalsContact O-N 3.16Å |
| 181 | I | 80.4 | Confident | 72.5 | Confident | 28 Ų | 28 | 98.8 Ų | 98.8 | 14% | 0.144 | 51% | 0.511 | C | S | . | . | trans | -81 | 92.9 | 168.2 | -58.5 | 174.2 | 0 | 0 | 0 | 105.7 | M163 L173 K174 L176 I179 K183 | M163-I181 HydrophobicContact CE-CG1 4.25Å; L173-I181 HydrophobicContact CB-CD1 4.22Å; L173-I181 HydrophobicContact CD2-CD1 4Å; L173-I181 HydrophobicContact CG-CD1 4.24Å; K174-I181 PolarHBondContact O-N 3.08Å; L176-I181 HydrophobicContact CB-CD1 3.77Å; L176-I181 HydrophobicContact CB-CG1 4.17Å; L176-I181 HydrophobicContact CD2-CD1 4.48Å; I179-I181 PolarHBondContact O-N 2.94Å; I181-K183 HydrophobicContact CG2-CG 4Å; I181-K183 PolarHBondContact O-N 3.49Å; I181-K183 VanDerWaalsContact O-N 3.11Å | ||
| 182 | I | 69.4 | Low | 71.9 | Confident | 148 Ų | 148 | 100.7 Ų | 100.7 | 76% | 0.759 | 52% | 0.515 | S | S | * | . | trans | -74.1 | 101.8 | 170.3 | -54.9 | 172.5 | 0 | 0 | 0 | 105.9 | P180 | P180-I182 PolarHBondContact O-N 2.88Å; P180-I182 VanDerWaalsContact O-N 3.16Å | ||
| 183 | K | 61.6 | Low | 71.1 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 40% | 0.404 | 51% | 0.513 | S | S | . | . | trans | -82.9 | 128.9 | 160.2 | -58.7 | -168.5 | 175.5 | -156.5 | 0 | 105.5 | P171 I181 L185 | P171-K183 VanDerWaalsContact C-NZ 3.33Å; P171-K183 VanDerWaalsContact CA-NZ 3.28Å; P171-K183 WeakPolarHBondContact O-CE 3.41Å; P171-K183 PolarHBondContact O-NZ 3.21Å; I181-K183 HydrophobicContact CG2-CG 4Å; I181-K183 PolarHBondContact O-N 3.49Å; I181-K183 VanDerWaalsContact O-N 3.11Å; K183-L185 VanDerWaalsContact C-N 3.35Å; K183-L185 PolarHBondContact O-N 3.13Å | ||
| 184 | E | 46.6 | Very low | 70 | Confident | 183 Ų | 183 | 107.5 Ų | 107.5 | 86% | 0.855 | 55% | 0.548 | S | S | * | . | trans | -52.6 | 111.3 | 161.7 | -70.9 | -173.5 | 158.3 | 0 | 0 | 105.6 | D186 | E184-D186 PolarHBondContact O-N 3.23Š| ||
| 185 | L | 42.8 | Very low | 68.6 | Low | 161 Ų | 161 | 104.8 Ų | 104.8 | 84% | 0.843 | 54% | 0.543 | S | S | * | . | trans | -68.8 | 109.6 | 172.6 | -76.9 | 155.3 | 0 | 0 | 0 | 104.4 | K183 E187 | K183-L185 VanDerWaalsContact C-N 3.35Å; K183-L185 PolarHBondContact O-N 3.13Å; L185-E187 PolarHBondContact O-N 3.47Å | ||
| 186 | D | 40 | Very low | 66.8 | Low | 160 Ų | 160 | 107.8 Ų | 107.8 | 86% | 0.856 | 56% | 0.563 | S | S | * | * | trans | -56.5 | 127.7 | 156.6 | -71.2 | -42.6 | 0 | 0 | 0 | 106.9 | E184 | E184-D186 PolarHBondContact O-N 3.23Š| ||
| 187 | E | 32 | Very low | 64.6 | Low | 270 Ų | 270 | 117.5 Ų | 117.5 | 100% | 1.262 | 61% | 0.614 | S | S | * | * | trans | -51.3 | 0 | -172.2 | -62.7 | 177.1 | 138.4 | 0 | 0 | 115.6 | L185 | L185-E187 PolarHBondContact O-N 3.47Š|
Retrieved 187 of 187 residues in 189.8 ms
(Link to these results)