| 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 | 43.5 | Very low | 50.2 | Low | 246 Ų | 246 | 129 Ų | 129 | 100% | 1.212 | 67% | 0.666 | S | S | * | * | 0 | 128.9 | 0 | -82.2 | 172.6 | 164.6 | 0 | 0 | 108.2 | |||||
| 2 | A | 38.2 | Very low | 53.4 | Low | 61 Ų | 61 | 122.3 Ų | 122.3 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | trans | -71.7 | 140.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F4 | A2-F4 PolarHBondContact O-N 3.19Å; A2-F4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | P | 51.7 | Low | 56.3 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3 | -177.7 | 25.7 | -33.4 | 0 | 0 | 0 | 115 | ||
| 4 | F | 42.8 | Very low | 58.9 | Low | 180 Ų | 180 | 111.4 Ų | 111.4 | 79% | 0.789 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -27 | -175.3 | -89.6 | -94.7 | 0 | 0 | 0 | 114.7 | A2 | A2-F4 PolarHBondContact O-N 3.19Å; A2-F4 VanDerWaalsContact O-N 3.09Å |
| 5 | E | 42.6 | Very low | 61 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -72.2 | -35.9 | -179.3 | -86 | 169 | 81.8 | 0 | 0 | 112.5 | S7 M8 | E5-S7 PolarHBondContact O-N 2.81Å; E5-S7 VanDerWaalsContact O-N 3.14Å; E5-M8 PolarHBondContact O-N 3.29Å |
| 6 | K | 39.1 | Very low | 62.8 | Low | 175 Ų | 175 | 113.6 Ų | 113.6 | 76% | 0.761 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.2 | -26.7 | 178.6 | -107.3 | -179.4 | 179.5 | 175.7 | 0 | 114 | ||
| 7 | S | 41.7 | Very low | 64.3 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.5 | -23.5 | -173.7 | -63 | 0 | 0 | 0 | 0 | 113.5 | E5 | E5-S7 PolarHBondContact O-N 2.81Å; E5-S7 VanDerWaalsContact O-N 3.14Å |
| 8 | M | 48.4 | Very low | 65.9 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -81 | -28.8 | -176.7 | -138.1 | 170.3 | -166.6 | 0 | 0 | 112.2 | E5 M10 T11 | E5-M8 PolarHBondContact O-N 3.29Å; M8-M10 VanDerWaalsContact C-N 3.3Å; M8-M10 PolarHBondContact O-N 3.21Å; M8-T11 PolarHBondContact O-N 2.67Å; M8-T11 PolarHBondContact O-OG1 2.97Å |
| 9 | E | 56 | Low | 67.4 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -23.4 | -179.4 | -78.9 | 165.2 | 65.1 | 0 | 0 | 113.9 | R16 L52 | E9-R16 PolarHBondContact O-NH2 3.39Å; E9-L52 HydrophobicContact CB-CD1 4.34Å |
| 10 | M | 65.3 | Low | 68.9 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -5.9 | 176 | -76.4 | -172.9 | 67.1 | 0 | 0 | 114.4 | M8 P12 | M8-M10 VanDerWaalsContact C-N 3.3Å; M8-M10 PolarHBondContact O-N 3.21Å; M10-P12 WeakPolarHBondContact O-CD 3.27Å |
| 11 | T | 82.5 | Confident | 70.2 | Confident | 45 Ų | 45 | 105 Ų | 105 | 28% | 0.276 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -72.5 | 125.8 | 179.1 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | M8 R16 | M8-T11 PolarHBondContact O-N 2.67Å; M8-T11 PolarHBondContact O-OG1 2.97Å; T11-R16 PolarHBondContact O-NE 3.38Å; T11-R16 PolarHBondContact O-NH2 3.45Å; T11-R16 WeakPolarHBondContact OG1-CG 3.34Å; T11-R16 PolarHBondContact OG1-NE 3.44Å; T11-R16 VanDerWaalsContact OG1-NE 3.1Å |
| 12 | P | 89.1 | Confident | 72.7 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 31% | 0.312 | 50% | 0.495 | S | S | . | . | trans | -59.7 | 144.9 | 178.1 | -24.7 | 33.2 | 0 | 0 | 0 | 112.5 | M10 K14 Q15 R16 E42 | M10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-K14 PolarHBondContact O-N 3.46Å; P12-K14 VanDerWaalsContact O-N 3.08Å; P12-Q15 HydrophobicContact CB-CG 4.47Å; P12-Q15 WeakPolarHBondContact O-CA 3.43Å; P12-Q15 WeakPolarHBondContact O-CB 3.47Å; P12-Q15 PolarHBondContact O-N 2.94Å; P12-R16 PolarHBondContact O-N 3.5Å; P12-E42 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 13 | F | 91.3 | Very high | 75.6 | Confident | 8 Ų | 8 | 96 Ų | 96 | 4% | 0.035 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -54.8 | -35.2 | -177.2 | 179.1 | -109.1 | 0 | 0 | 0 | 112.9 | Q15 R16 K17 R22 I40 E42 K57 F114 Y116 | F13-Q15 PolarHBondContact O-N 3.07Å; F13-R16 PolarHBondContact O-N 2.94Å; F13-K17 HydrophobicContact CE2-CD 4.34Å; F13-K17 HydrophobicContact CZ-CD 4.41Å; F13-K17 PolarHBondContact O-N 3.48Å; F13-R22 HydrophobicContact CE1-CG 3.92Å; F13-R22 HydrophobicContact CZ-CG 4.24Å; F13-I40 HydrophobicContact CB-CG2 3.84Å; F13-I40 HydrophobicContact CD1-CD1 3.71Å; F13-I40 HydrophobicContact CD1-CG1 3.74Å; F13-I40 HydrophobicContact CD1-CG2 4.34Å; F13-I40 HydrophobicContact CD2-CD1 4.36Å; F13-I40 HydrophobicContact CE1-CD1 3.75Å; F13-I40 HydrophobicContact CE1-CG1 4.05Å; F13-I40 HydrophobicContact CE2-CD1 4.39Å; F13-I40 HydrophobicContact CG-CD1 4.04Å; F13-I40 HydrophobicContact CG-CG1 4.31Å; F13-I40 HydrophobicContact CG-CG2 4.2Å; F13-I40 HydrophobicContact CZ-CD1 4.11Å; F13-E42 WeakPolarHBondContact CB-OE1 3.29Å; F13-E42 PolarHBondContact N-OE1 3.43Å; F13-E42 PolarHBondContact N-OE2 3.26Å; F13-K57 HydrophobicContact CE2-CD 3.9Å; F13-K57 HydrophobicContact CZ-CD 4.22Å; F13-F114 AromaticContact CE1-CD2 3.98Å; F13-F114 HydrophobicContact CE1-CD2 3.98Å; F13-F114 AromaticContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CZ 4.3Å; F13-F114 HydrophobicContact CZ-CE2 4.16Å; F13-F114 HydrophobicContact CZ-CZ 4.31Å; F13-Y116 HydrophobicContact CB-CE1 4.4Å; F13-Y116 AromaticContact CD1-CE1 3.93Å; F13-Y116 HydrophobicContact CD1-CE1 3.93Å; F13-Y116 WeakPolarHBondContact CD1-OH 3.4Å |
| 14 | K | 91.9 | Very high | 77.7 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 37% | 0.365 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -26 | 176.2 | -66 | -164.8 | 176 | 180 | 0 | 113.8 | P12 K17 D110 Y116 | P12-K14 PolarHBondContact O-N 3.46Å; P12-K14 VanDerWaalsContact O-N 3.08Å; K14-K17 VanDerWaalsContact O-O 3.12Å; K14-D110 IonicContact NZ-OD1 3.24Å; K14-D110 PolarHBondContact NZ-OD1 2.74Å; K14-D110 IonicContact NZ-OD2 2.61Å; K14-D110 PolarHBondContact NZ-OD2 3.28Å; K14-Y116 HydrophobicContact CD-CE1 4.3Å; K14-Y116 VanDerWaalsContact CE-CZ 3.4Å; K14-Y116 HydrophobicContact CG-CE1 3.63Å; K14-Y116 WeakPolarHBondContact CG-OH 3.46Å |
| 15 | Q | 90.5 | Very high | 80.3 | Confident | 150 Ų | 150 | 88.5 Ų | 88.5 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -87 | -22.7 | 176.9 | -64.1 | -176.6 | -5.1 | 0 | 0 | 112.3 | P12 F13 K17 | P12-Q15 HydrophobicContact CB-CG 4.47Å; P12-Q15 WeakPolarHBondContact O-CA 3.43Å; P12-Q15 WeakPolarHBondContact O-CB 3.47Å; P12-Q15 PolarHBondContact O-N 2.94Å; F13-Q15 PolarHBondContact O-N 3.07Å; Q15-K17 VanDerWaalsContact C-N 3.35Å |
| 16 | R | 89.8 | Confident | 82.8 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 41% | 0.408 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74 | -25.6 | 177.6 | -57.7 | -175.8 | -162.9 | -172.7 | 4.9 | 113 | E9 T11 P12 F13 | E9-R16 PolarHBondContact O-NH2 3.39Å; T11-R16 PolarHBondContact O-NE 3.38Å; T11-R16 PolarHBondContact O-NH2 3.45Å; T11-R16 WeakPolarHBondContact OG1-CG 3.34Å; T11-R16 PolarHBondContact OG1-NE 3.44Å; T11-R16 VanDerWaalsContact OG1-NE 3.1Å; P12-R16 PolarHBondContact O-N 3.5Å; F13-R16 PolarHBondContact O-N 2.94Å |
| 17 | K | 88 | Confident | 85.5 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -143.6 | 136.7 | -174.8 | -62.5 | -167.5 | 178.9 | -164.2 | 0 | 113 | F13 K14 Q15 T21 R22 E25 | F13-K17 HydrophobicContact CE2-CD 4.34Å; F13-K17 HydrophobicContact CZ-CD 4.41Å; F13-K17 PolarHBondContact O-N 3.48Å; K14-K17 VanDerWaalsContact O-O 3.12Å; Q15-K17 VanDerWaalsContact C-N 3.35Å; K17-T21 HydrophobicContact CD-CG2 4.19Å; K17-R22 HydrophobicContact CB-CG 3.82Å; K17-R22 PolarHBondContact O-NE 3.22Å; K17-E25 WeakPolarHBondContact CD-OE1 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.41Å; K17-E25 IonicContact NZ-OE1 2.58Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 3.51Å |
| 18 | C | 94.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 66% | 0.655 | 41% | 0.407 | S | S | * | . | trans | -60.6 | 155 | 173.3 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | A20 T21 R22 | C18-A20 VanDerWaalsContact C-N 3.32Å; C18-A20 PolarHBondContact O-N 3.36Å; C18-T21 PolarHBondContact O-N 2.77Å; C18-R22 PolarHBondContact O-N 2.96Å | ||
| 19 | L | 94.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.5 | -43.3 | -177.3 | 177.5 | 59.4 | 0 | 0 | 0 | 113.2 | T21 R22 K23 D112 | L19-T21 PolarHBondContact O-N 3.46Å; L19-R22 PolarHBondContact O-N 2.98Å; L19-K23 HydrophobicContact CD1-CD 4.45Å; L19-K23 HydrophobicContact CD1-CG 4.32Å; L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 PolarHBondContact O-N 3.32Å; L19-D112 HydrophobicContact CD1-CB 3.59Å |
| 20 | A | 96.6 | Very high | 92.2 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.7 | -46 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | C18 R22 K23 D24 | C18-A20 VanDerWaalsContact C-N 3.32Å; C18-A20 PolarHBondContact O-N 3.36Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.03Å; A20-K23 PolarHBondContact O-N 2.87Å; A20-D24 PolarHBondContact O-N 2.85Å |
| 21 | T | 96 | Very high | 93.6 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 177.3 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | K17 C18 L19 K23 D24 E25 | K17-T21 HydrophobicContact CD-CG2 4.19Å; C18-T21 PolarHBondContact O-N 2.77Å; L19-T21 PolarHBondContact O-N 3.46Å; T21-K23 PolarHBondContact O-N 3.33Å; T21-D24 PolarHBondContact O-N 3.49Å; T21-E25 PolarHBondContact O-N 3.08Å |
| 22 | R | 97.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 76.9 Ų | 76.9 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.1 | -66.5 | -174.4 | -72.7 | 117.9 | 5 | 111.7 | F13 K17 C18 L19 A20 E25 V26 D112 F114 Y116 | F13-R22 HydrophobicContact CE1-CG 3.92Å; F13-R22 HydrophobicContact CZ-CG 4.24Å; K17-R22 HydrophobicContact CB-CG 3.82Å; K17-R22 PolarHBondContact O-NE 3.22Å; C18-R22 PolarHBondContact O-N 2.96Å; L19-R22 PolarHBondContact O-N 2.98Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.03Å; R22-E25 PolarHBondContact O-N 3.24Å; R22-V26 WeakPolarHBondContact O-CG2 3.5Å; R22-V26 PolarHBondContact O-N 3.23Å; R22-D112 HydrophobicContact CB-CB 3.89Å; R22-D112 IonicContact CZ-OD1 3.74Å; R22-D112 IonicContact NH1-OD1 2.58Å; R22-D112 PolarHBondContact NH1-OD1 3.39Å; R22-D112 IonicContact NH1-OD2 3.86Å; R22-F114 HydrophobicContact CB-CE2 4.34Å; R22-Y116 PolarHBondContact NH1-OH 3.31Å |
| 23 | K | 97.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 78.7 Ų | 78.7 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.7 | -76.2 | -178.1 | 170.4 | -174.8 | 0 | 112.8 | L19 A20 T21 E25 V26 C27 A111 D112 | L19-K23 HydrophobicContact CD1-CD 4.45Å; L19-K23 HydrophobicContact CD1-CG 4.32Å; L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 2.87Å; T21-K23 PolarHBondContact O-N 3.33Å; K23-E25 VanDerWaalsContact C-N 3.34Å; K23-V26 PolarHBondContact O-N 2.94Å; K23-C27 WeakPolarHBondContact O-CB 3.42Å; K23-C27 PolarHBondContact O-N 3.5Å; K23-A111 WeakPolarHBondContact CE-O 3.14Å; K23-D112 HydrophobicContact CG-CB 4.36Å |
| 24 | D | 97.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 82.8 Ų | 82.8 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.5 | -178.9 | -93.6 | 0 | 0 | 0 | 111.2 | A20 T21 V26 C27 N28 | A20-D24 PolarHBondContact O-N 2.85Å; T21-D24 PolarHBondContact O-N 3.49Å; D24-V26 VanDerWaalsContact C-N 3.34Å; D24-V26 PolarHBondContact O-N 3.3Å; D24-C27 WeakPolarHBondContact O-CB 3.27Å; D24-C27 PolarHBondContact O-N 3.2Å; D24-N28 WeakPolarHBondContact O-CB 3.47Å; D24-N28 PolarHBondContact O-N 3.28Å; D24-N28 PolarHBondContact OD1-ND2 3.02Å |
| 25 | E | 96.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 83.9 Ų | 83.9 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 174.9 | -80.9 | -178.7 | -119 | 0 | 0 | 111.6 | K17 T21 R22 K23 C27 N28 I29 K57 F114 | K17-E25 WeakPolarHBondContact CD-OE1 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.41Å; K17-E25 IonicContact NZ-OE1 2.58Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 3.51Å; T21-E25 PolarHBondContact O-N 3.08Å; R22-E25 PolarHBondContact O-N 3.24Å; K23-E25 VanDerWaalsContact C-N 3.34Å; E25-C27 PolarHBondContact O-N 2.92Å; E25-N28 PolarHBondContact O-N 3.39Å; E25-I29 VanDerWaalsContact O-CG1 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.16Å; E25-I29 WeakPolarHBondContact O-CG2 3.33Å; E25-I29 PolarHBondContact O-N 3.48Å; E25-K57 IonicContact OE2-NZ 3.44Å; E25-K57 PolarHBondContact OE2-NZ 3.36Å; E25-F114 HydrophobicContact CB-CE2 4.42Å; E25-F114 HydrophobicContact CB-CZ 4.32Å |
| 26 | V | 96.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | R22 K23 D24 N28 I29 R30 P38 D112 F114 | R22-V26 WeakPolarHBondContact O-CG2 3.5Å; R22-V26 PolarHBondContact O-N 3.23Å; K23-V26 PolarHBondContact O-N 2.94Å; D24-V26 VanDerWaalsContact C-N 3.34Å; D24-V26 PolarHBondContact O-N 3.3Å; V26-N28 VanDerWaalsContact C-N 3.34Å; V26-N28 PolarHBondContact O-N 2.96Å; V26-I29 WeakPolarHBondContact O-CG1 3.37Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-R30 HydrophobicContact CG1-CG 4.02Å; V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.16Å; V26-R30 VanDerWaalsContact O-CG 3.27Å; V26-R30 WeakPolarHBondContact O-CG 3.3Å; V26-R30 PolarHBondContact O-N 2.58Å; V26-P38 HydrophobicContact CG1-CG 4.1Å; V26-P38 HydrophobicContact CG2-CB 4.49Å; V26-P38 HydrophobicContact CG2-CG 4.35Å; V26-D112 WeakPolarHBondContact CG2-O 3.4Å; V26-F114 HydrophobicContact CG2-CD1 4.29Å; V26-F114 HydrophobicContact CG2-CD2 3.32Å; V26-F114 HydrophobicContact CG2-CE1 4.26Å; V26-F114 HydrophobicContact CG2-CE2 3.3Å; V26-F114 HydrophobicContact CG2-CG 3.84Å; V26-F114 HydrophobicContact CG2-CZ 3.78Å |
| 27 | C | 95.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 76.4 Ų | 76.4 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.1 | -49.7 | 178.1 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | K23 D24 E25 R30 S31 | K23-C27 WeakPolarHBondContact O-CB 3.42Å; K23-C27 PolarHBondContact O-N 3.5Å; D24-C27 WeakPolarHBondContact O-CB 3.27Å; D24-C27 PolarHBondContact O-N 3.2Å; E25-C27 PolarHBondContact O-N 2.92Å; C27-R30 PolarHBondContact O-N 3.05Å; C27-S31 PolarHBondContact O-N 3.39Å |
| 28 | N | 96.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 73 Ų | 73 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | -179.2 | -79.2 | -27.6 | 0 | 0 | 0 | 112.8 | D24 E25 V26 K32 | D24-N28 WeakPolarHBondContact O-CB 3.47Å; D24-N28 PolarHBondContact O-N 3.28Å; D24-N28 PolarHBondContact OD1-ND2 3.02Å; E25-N28 PolarHBondContact O-N 3.39Å; V26-N28 VanDerWaalsContact C-N 3.34Å; V26-N28 PolarHBondContact O-N 2.96Å; N28-K32 WeakPolarHBondContact O-CG 3.32Å; N28-K32 PolarHBondContact O-N 2.95Å |
| 29 | I | 95.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72 | -34.1 | -179.8 | 65.6 | -169.2 | 0 | 0 | 0 | 112.4 | E25 V26 S31 K32 F33 P38 L59 F114 | E25-I29 VanDerWaalsContact O-CG1 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.16Å; E25-I29 WeakPolarHBondContact O-CG2 3.33Å; E25-I29 PolarHBondContact O-N 3.48Å; V26-I29 WeakPolarHBondContact O-CG1 3.37Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-K32 PolarHBondContact O-N 3.48Å; I29-F33 WeakPolarHBondContact O-CD2 3.27Å; I29-F33 PolarHBondContact O-N 2.76Å; I29-P38 HydrophobicContact CD1-CB 3.49Å; I29-P38 VanDerWaalsContact CD1-CB 3.49Å; I29-P38 HydrophobicContact CD1-CG 3.55Å; I29-P38 HydrophobicContact CG1-CG 4.08Å; I29-L59 HydrophobicContact CD1-CD2 4.48Å; I29-F114 HydrophobicContact CD1-CE1 4.08Å; I29-F114 HydrophobicContact CD1-CZ 4.21Å |
| 30 | R | 94.4 | Very high | 96.2 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 177.8 | -73.5 | -165.9 | 71.2 | -164.4 | -1.3 | 112.1 | V26 C27 F33 P34 P38 | V26-R30 HydrophobicContact CG1-CG 4.02Å; V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.16Å; V26-R30 VanDerWaalsContact O-CG 3.27Å; V26-R30 WeakPolarHBondContact O-CG 3.3Å; V26-R30 PolarHBondContact O-N 2.58Å; C27-R30 PolarHBondContact O-N 3.05Å; R30-F33 CarbonylContact O-C 3.49Å; R30-P34 WeakPolarHBondContact O-CA 3.42Å; R30-P38 HydrophobicContact CG-CG 4.2Å |
| 31 | S | 95.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 61.3 Ų | 61.3 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | C27 I29 | C27-S31 PolarHBondContact O-N 3.39Å; I29-S31 VanDerWaalsContact C-N 3.34Å |
| 32 | K | 97.1 | Very high | 96 | Very high | 154 Ų | 154 | 59.5 Ų | 59.5 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -75.2 | -32.8 | 179.5 | -69.3 | 177.2 | -178.4 | -178.9 | 0 | 114.2 | N28 I29 | N28-K32 WeakPolarHBondContact O-CG 3.32Å; N28-K32 PolarHBondContact O-N 2.95Å; I29-K32 PolarHBondContact O-N 3.48Å |
| 33 | F | 96 | Very high | 95.7 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | trans | -133.1 | 73.2 | -173.9 | -54 | -72.9 | 0 | 0 | 0 | 110.6 | I29 R30 N35 K36 L59 | I29-F33 WeakPolarHBondContact O-CD2 3.27Å; I29-F33 PolarHBondContact O-N 2.76Å; R30-F33 CarbonylContact O-C 3.49Å; F33-N35 PolarHBondContact O-N 3.32Å; F33-K36 HydrophobicContact CB-CB 4.02Å; F33-K36 HydrophobicContact CB-CD 4.4Å; F33-K36 HydrophobicContact CB-CG 4.32Å; F33-K36 PolarHBondContact O-N 2.92Å; F33-K36 VanDerWaalsContact O-N 3.08Å; F33-L59 HydrophobicContact CD2-CD1 3.62Å; F33-L59 HydrophobicContact CE2-CD1 3.8Å; F33-L59 HydrophobicContact CG-CD1 4.08Å; F33-L59 HydrophobicContact CZ-CD1 4.4Å | ||
| 34 | P | 93.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.4 | -172.9 | 23.6 | -34.2 | 0 | 0 | 0 | 113.3 | R30 | R30-P34 WeakPolarHBondContact O-CA 3.42Š|
| 35 | N | 94.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11.9 | -179.5 | -64.7 | -26.1 | 0 | 0 | 0 | 113.6 | F33 F62 | F33-N35 PolarHBondContact O-N 3.32Å; N35-F62 HydrophobicContact CB-CD1 4.11Å; N35-F62 HydrophobicContact CB-CE1 3.86Å; N35-F62 WeakPolarHBondContact O-CD1 3.37Å |
| 36 | K | 96.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.3 | 178.1 | -59.1 | -171.3 | -176.7 | -180 | 0 | 111.3 | F33 L59 V60 | F33-K36 HydrophobicContact CB-CB 4.02Å; F33-K36 HydrophobicContact CB-CD 4.4Å; F33-K36 HydrophobicContact CB-CG 4.32Å; F33-K36 PolarHBondContact O-N 2.92Å; F33-K36 VanDerWaalsContact O-N 3.08Å; K36-L59 HydrophobicContact CB-CB 4.11Å; K36-L59 HydrophobicContact CB-CD2 4.4Å; K36-L59 HydrophobicContact CD-CB 3.85Å; K36-V60 CarbonylContact C-O 3.54Å; K36-V60 WeakPolarHBondContact CA-O 3.49Å |
| 37 | L | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.4 | -176.2 | -55.9 | 173.1 | 0 | 0 | 0 | 109.4 | V39 L59 V60 F62 M101 Y105 | L37-V39 HydrophobicContact CB-CG2 4.33Å; L37-V39 PolarHBondContact O-N 3.25Å; L37-L59 WeakPolarHBondContact O-CA 3.41Å; L37-V60 PolarHBondContact N-O 2.95Å; L37-V60 PolarHBondContact O-N 3.01Å; L37-F62 HydrophobicContact CD1-CB 4.22Å; L37-F62 HydrophobicContact CG-CB 4.41Å; L37-M101 HydrophobicContact CD1-CB 3.86Å; L37-M101 VanDerWaalsContact CD1-O 3.27Å; L37-M101 WeakPolarHBondContact CD1-O 3.36Å; L37-Y105 HydrophobicContact CB-CD2 4.17Å; L37-Y105 HydrophobicContact CD1-CG 4.31Å; L37-Y105 HydrophobicContact CD2-CD1 3.88Å; L37-Y105 HydrophobicContact CD2-CD2 4.17Å; L37-Y105 HydrophobicContact CD2-CE1 4.32Å; L37-Y105 HydrophobicContact CD2-CG 3.81Å; L37-Y105 HydrophobicContact CG-CG 4.43Å |
| 38 | P | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 115.1 | 169.6 | -5.3 | 18.2 | 0 | 0 | 0 | 110.5 | V26 I29 R30 F114 L115 | V26-P38 HydrophobicContact CG1-CG 4.1Å; V26-P38 HydrophobicContact CG2-CB 4.49Å; V26-P38 HydrophobicContact CG2-CG 4.35Å; I29-P38 HydrophobicContact CD1-CB 3.49Å; I29-P38 VanDerWaalsContact CD1-CB 3.49Å; I29-P38 HydrophobicContact CD1-CG 3.55Å; I29-P38 HydrophobicContact CG1-CG 4.08Å; R30-P38 HydrophobicContact CG-CG 4.2Å; P38-F114 HydrophobicContact CB-CD1 3.28Å; P38-F114 HydrophobicContact CB-CE1 3.47Å; P38-F114 VanDerWaalsContact CB-CE1 3.47Å; P38-F114 HydrophobicContact CB-CG 4.13Å; P38-F114 HydrophobicContact CB-CZ 4.45Å; P38-L115 PolarHBondContact O-N 3.17Å |
| 39 | V | 97.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.9 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | L37 V41 F58 V60 F69 M101 L115 I117 | L37-V39 HydrophobicContact CB-CG2 4.33Å; L37-V39 PolarHBondContact O-N 3.25Å; V39-V41 HydrophobicContact CG1-CG2 3.9Å; V39-F58 HydrophobicContact CB-CB 4.43Å; V39-F58 PolarHBondContact N-O 3.15Å; V39-F58 PolarHBondContact O-N 3.41Å; V39-V60 HydrophobicContact CB-CG2 3.99Å; V39-V60 HydrophobicContact CG2-CB 4.05Å; V39-V60 HydrophobicContact CG2-CG2 3.58Å; V39-F69 HydrophobicContact CG1-CE1 4.38Å; V39-F69 HydrophobicContact CG1-CZ 4.29Å; V39-M101 HydrophobicContact CG1-CE 4.44Å; V39-M101 HydrophobicContact CG2-CE 3.84Å; V39-L115 CarbonylContact C-O 3.6Å; V39-L115 WeakPolarHBondContact CA-O 3.17Å; V39-L115 HydrophobicContact CG2-CB 4.36Å; V39-L115 HydrophobicContact CG2-CD2 4.33Å; V39-I117 HydrophobicContact CG1-CD1 3.74Å; V39-I117 HydrophobicContact CG1-CG1 4Å |
| 40 | I | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.2 | 170.1 | -56.7 | -61.4 | 0 | 0 | 0 | 107.6 | F13 E42 T56 K57 F114 L115 Y116 I117 | F13-I40 HydrophobicContact CB-CG2 3.84Å; F13-I40 HydrophobicContact CD1-CD1 3.71Å; F13-I40 HydrophobicContact CD1-CG1 3.74Å; F13-I40 HydrophobicContact CD1-CG2 4.34Å; F13-I40 HydrophobicContact CD2-CD1 4.36Å; F13-I40 HydrophobicContact CE1-CD1 3.75Å; F13-I40 HydrophobicContact CE1-CG1 4.05Å; F13-I40 HydrophobicContact CE2-CD1 4.39Å; F13-I40 HydrophobicContact CG-CD1 4.04Å; F13-I40 HydrophobicContact CG-CG1 4.31Å; F13-I40 HydrophobicContact CG-CG2 4.2Å; F13-I40 HydrophobicContact CZ-CD1 4.11Å; I40-E42 HydrophobicContact CG2-CG 3.89Å; I40-T56 CarbonylContact C-O 3.57Å; I40-T56 VanDerWaalsContact CA-O 3.31Å; I40-T56 WeakPolarHBondContact CA-O 3.45Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 HydrophobicContact CD1-CD 3.97Å; I40-K57 HydrophobicContact CD1-CG 3.62Å; I40-F114 HydrophobicContact CD1-CD1 3.66Å; I40-F114 HydrophobicContact CD1-CE1 3.84Å; I40-F114 HydrophobicContact CD1-CG 4.22Å; I40-F114 HydrophobicContact CG1-CB 3.92Å; I40-F114 HydrophobicContact CG1-CD1 3.61Å; I40-F114 HydrophobicContact CG1-CE1 4.31Å; I40-F114 HydrophobicContact CG1-CG 3.82Å; I40-L115 PolarHBondContact N-O 3.49Å; I40-Y116 HydrophobicContact CB-CD1 3.83Å; I40-Y116 HydrophobicContact CB-CE1 3.97Å; I40-Y116 HydrophobicContact CB-CG 4.47Å; I40-Y116 HydrophobicContact CG1-CD1 4.28Å; I40-Y116 HydrophobicContact CG1-CE1 3.95Å; I40-Y116 HydrophobicContact CG2-CD1 3.95Å; I40-Y116 HydrophobicContact CG2-CE1 4.02Å; I40-I117 PolarHBondContact O-N 3.31Å |
| 41 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.9 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | V39 L53 T56 F58 F69 L73 I117 Y119 | V39-V41 HydrophobicContact CG1-CG2 3.9Å; V41-L53 HydrophobicContact CB-CD1 4.11Å; V41-L53 HydrophobicContact CG1-CD1 3.64Å; V41-T56 PolarHBondContact N-O 3.31Å; V41-T56 WeakPolarHBondContact O-CA 3.43Å; V41-T56 VanDerWaalsContact O-CB 3.23Å; V41-T56 WeakPolarHBondContact O-CB 3.27Å; V41-T56 WeakPolarHBondContact O-CG2 3.49Å; V41-F58 HydrophobicContact CB-CD2 3.98Å; V41-F58 HydrophobicContact CB-CE2 3.77Å; V41-F58 HydrophobicContact CG2-CD2 3.6Å; V41-F58 HydrophobicContact CG2-CE2 3.85Å; V41-F58 HydrophobicContact CG2-CG 4.49Å; V41-F69 HydrophobicContact CG2-CE1 3.98Å; V41-F69 HydrophobicContact CG2-CZ 3.79Å; V41-L73 HydrophobicContact CG1-CD1 3.93Å; V41-L73 HydrophobicContact CG1-CD2 4.21Å; V41-L73 HydrophobicContact CG2-CD1 4.35Å; V41-L73 HydrophobicContact CG2-CD2 4.48Å; V41-I117 VanDerWaalsContact CA-O 3.26Å; V41-I117 WeakPolarHBondContact CA-O 3.43Å; V41-I117 HydrophobicContact CG2-CB 4.42Å; V41-Y119 HydrophobicContact CG1-CD1 3.84Å; V41-Y119 HydrophobicContact CG1-CE1 4.43Å |
| 42 | E | 93.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.8 | -178.3 | -65.6 | -177.3 | 127.7 | 0 | 0 | 111 | P12 F13 I40 T56 I117 T118 Y119 | P12-E42 WeakPolarHBondContact CA-OE1 3.4Å; F13-E42 WeakPolarHBondContact CB-OE1 3.29Å; F13-E42 PolarHBondContact N-OE1 3.43Å; F13-E42 PolarHBondContact N-OE2 3.26Å; I40-E42 HydrophobicContact CG2-CG 3.89Å; E42-T56 HydrophobicContact CG-CG2 4.37Å; E42-I117 PolarHBondContact N-O 3.31Å; E42-T118 CarbonylContact O-C 3.52Å; E42-T118 WeakPolarHBondContact O-CA 3.33Å; E42-Y119 VanDerWaalsContact C-CE1 3.48Å; E42-Y119 WeakPolarHBondContact O-CD1 3.06Å; E42-Y119 PolarHBondContact O-N 2.66Å |
| 43 | R | 91.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 58 Ų | 58 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.3 | 173.8 | -164.3 | 177.3 | 75.7 | -172.7 | -3.1 | 109.1 | E47 L50 L52 Y119 | R43-E47 HydrophobicContact CG-CB 3.82Å; R43-E47 HydrophobicContact CG-CG 3.67Å; R43-E47 PolarHBondContact NE-O 3.23Å; R43-E47 PolarHBondContact NH2-O 3.25Å; R43-L50 VanDerWaalsContact CD-O 3.26Å; R43-L50 WeakPolarHBondContact CD-O 3.32Å; R43-L50 PolarHBondContact NH1-O 2.91Å; R43-L52 HydrophobicContact CB-CD2 3.9Å; R43-Y119 VanDerWaalsContact CA-CE1 3.48Å; R43-Y119 HydrophobicContact CB-CE1 3.85Å; R43-Y119 HydrophobicContact CB-CE2 4.08Å; R43-Y119 HydrophobicContact CG-CD2 4.36Å; R43-Y119 HydrophobicContact CG-CE1 4.39Å; R43-Y119 HydrophobicContact CG-CE2 3.73Å; R43-Y119 VanDerWaalsContact N-CE1 3.34Å |
| 44 | Y | 90.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | trans | -58.8 | 141.5 | 174.8 | -176.3 | -124.7 | 0 | 0 | 0 | 110.8 | K46 E47 Y119 A120 | Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.42Å; Y44-K46 HydrophobicContact CE1-CB 3.55Å; Y44-K46 HydrophobicContact CE1-CD 3.87Å; Y44-K46 HydrophobicContact CE1-CG 3.72Å; Y44-K46 PolarHBondContact O-N 2.89Å; Y44-E47 VanDerWaalsContact O-CB 3.25Å; Y44-E47 WeakPolarHBondContact O-CB 3.36Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y44-Y119 WeakPolarHBondContact CB-O 3.41Å; Y44-Y119 PolarHBondContact N-O 3Å; Y44-A120 HydrophobicContact CD1-CB 4.34Å; Y44-A120 HydrophobicContact CG-CB 4.42Å | ||
| 45 | I | 86.4 | Confident | 90.7 | Very high | 134 Ų | 134 | 64.7 Ų | 64.7 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.6 | -171.2 | -164.6 | 167.1 | 0 | 0 | 0 | 113.3 | ||
| 46 | K | 85 | Confident | 90.6 | Very high | 138 Ų | 138 | 61.2 Ų | 61.2 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.5 | 177.9 | -53.1 | -176.8 | -178.8 | 174 | 0 | 113.3 | Y44 | Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.42Å; Y44-K46 HydrophobicContact CE1-CB 3.55Å; Y44-K46 HydrophobicContact CE1-CD 3.87Å; Y44-K46 HydrophobicContact CE1-CG 3.72Å; Y44-K46 PolarHBondContact O-N 2.89Å |
| 47 | E | 87.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | trans | -75.2 | 128 | 177.7 | 176.2 | 53 | -107.6 | 0 | 0 | 110.3 | R43 Y44 T49 L50 S121 A124 | R43-E47 HydrophobicContact CG-CB 3.82Å; R43-E47 HydrophobicContact CG-CG 3.67Å; R43-E47 PolarHBondContact NE-O 3.23Å; R43-E47 PolarHBondContact NH2-O 3.25Å; Y44-E47 VanDerWaalsContact O-CB 3.25Å; Y44-E47 WeakPolarHBondContact O-CB 3.36Å; Y44-E47 PolarHBondContact O-N 3.48Å; E47-T49 WeakPolarHBondContact OE1-CA 3.12Å; E47-T49 PolarHBondContact OE1-N 3.01Å; E47-T49 PolarHBondContact OE1-OG1 3.02Å; E47-L50 HydrophobicContact CG-CB 3.84Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 HydrophobicContact CG-CG 4.05Å; E47-L50 PolarHBondContact OE1-N 2.86Å; E47-S121 WeakPolarHBondContact OE2-CA 3.46Å; E47-S121 WeakPolarHBondContact OE2-CB 3.2Å; E47-S121 PolarHBondContact OE2-N 2.89Å; E47-S121 PolarHBondContact OE2-OG 2.71Å; E47-A124 HydrophobicContact CB-CB 4.22Å; E47-A124 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 48 | K | 83.5 | Confident | 90.5 | Very high | 184 Ų | 184 | 63.5 Ų | 63.5 | 80% | 0.8 | 31% | 0.305 | S | S | * | . | trans | -124.9 | -22.4 | -173.7 | -64.9 | -176.4 | -178.3 | -179.2 | 0 | 113.5 | ||||
| 49 | T | 84.3 | Confident | 90.5 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -93.2 | -38.9 | -174.7 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | E47 | E47-T49 WeakPolarHBondContact OE1-CA 3.12Å; E47-T49 PolarHBondContact OE1-N 3.01Å; E47-T49 PolarHBondContact OE1-OG1 3.02Å |
| 50 | L | 87.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -75 | 139.4 | -178.1 | -56.1 | -167.9 | 0 | 0 | 0 | 112.4 | R43 E47 L79 L85 Y119 | R43-L50 VanDerWaalsContact CD-O 3.26Å; R43-L50 WeakPolarHBondContact CD-O 3.32Å; R43-L50 PolarHBondContact NH1-O 2.91Å; E47-L50 HydrophobicContact CG-CB 3.84Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 HydrophobicContact CG-CG 4.05Å; E47-L50 PolarHBondContact OE1-N 2.86Å; L50-L79 HydrophobicContact CD1-CD2 4.35Å; L50-L79 HydrophobicContact CD2-CD2 3.46Å; L50-L79 VanDerWaalsContact CD2-CD2 3.46Å; L50-L79 HydrophobicContact CG-CD2 4.35Å; L50-L85 HydrophobicContact CD1-CD1 3.58Å; L50-Y119 HydrophobicContact CB-CE2 4.17Å; L50-Y119 HydrophobicContact CD1-CD2 4.02Å; L50-Y119 HydrophobicContact CD1-CE2 4.4Å |
| 51 | P | 88.7 | Confident | 90.5 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 161.4 | 177.6 | 27.4 | -31.8 | 0 | 0 | 0 | 111.8 | I77 Y119 | P51-I77 HydrophobicContact CG-CG2 3.63Å; P51-Y119 PolarHBondContact O-OH 3.18Å |
| 52 | L | 88.1 | Confident | 90.4 | Very high | 71 Ų | 71 | 73.6 Ų | 73.6 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 148.4 | 173.2 | -67.5 | 173.1 | 0 | 0 | 0 | 110.5 | E9 R43 Y119 | E9-L52 HydrophobicContact CB-CD1 4.34Å; R43-L52 HydrophobicContact CB-CD2 3.9Å; L52-Y119 WeakPolarHBondContact CA-OH 3.25Å |
| 53 | L | 89.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 138 | 168.6 | -77 | 168.3 | 0 | 0 | 0 | 110.4 | V41 K55 F58 L73 K76 I77 Y119 | V41-L53 HydrophobicContact CB-CD1 4.11Å; V41-L53 HydrophobicContact CG1-CD1 3.64Å; L53-K55 WeakPolarHBondContact CB-O 3.44Å; L53-K55 PolarHBondContact O-N 3.23Å; L53-F58 HydrophobicContact CD1-CE2 4.26Å; L53-F58 HydrophobicContact CD1-CZ 4.26Å; L53-L73 HydrophobicContact CD1-CD2 4.23Å; L53-K76 HydrophobicContact CD2-CB 3.91Å; L53-I77 HydrophobicContact CD2-CD1 4.29Å; L53-I77 HydrophobicContact CD2-CG1 3.42Å; L53-I77 VanDerWaalsContact CD2-CG1 3.42Å; L53-I77 HydrophobicContact CG-CD1 4.4Å; L53-I77 HydrophobicContact CG-CG1 3.89Å; L53-Y119 HydrophobicContact CD1-CD1 4.13Å; L53-Y119 HydrophobicContact CD1-CE1 3.61Å; L53-Y119 HydrophobicContact CG-CE1 3.91Å; L53-Y119 PolarHBondContact N-OH 2.62Å |
| 54 | D | 85.8 | Confident | 90.7 | Very high | 163 Ų | 163 | 77.4 Ų | 77.4 | 87% | 0.872 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -61 | -30.2 | 171.8 | -61.9 | -71.7 | 0 | 0 | 0 | 112.8 | ||
| 55 | K | 89.4 | Confident | 91 | Very high | 158 Ų | 158 | 76.3 Ų | 76.3 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | trans | -132.3 | 130.7 | -178.7 | -63.5 | -177.7 | -177.2 | 177.6 | 0 | 109.5 | L53 F58 | L53-K55 WeakPolarHBondContact CB-O 3.44Å; L53-K55 PolarHBondContact O-N 3.23Å; K55-F58 WeakPolarHBondContact O-CE2 3.21Å; K55-F58 WeakPolarHBondContact O-CZ 3.42Å | ||
| 56 | T | 92.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -101.6 | -10.9 | 178 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | I40 V41 E42 | I40-T56 CarbonylContact C-O 3.57Å; I40-T56 VanDerWaalsContact CA-O 3.31Å; I40-T56 WeakPolarHBondContact CA-O 3.45Å; V41-T56 PolarHBondContact N-O 3.31Å; V41-T56 WeakPolarHBondContact O-CA 3.43Å; V41-T56 VanDerWaalsContact O-CB 3.23Å; V41-T56 WeakPolarHBondContact O-CB 3.27Å; V41-T56 WeakPolarHBondContact O-CG2 3.49Å; E42-T56 HydrophobicContact CG-CG2 4.37Å | ||
| 57 | K | 94.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.8 | -178.7 | -53.8 | -162.3 | -67.6 | 178.5 | 0 | 110.9 | F13 E25 I40 | F13-K57 HydrophobicContact CE2-CD 3.9Å; F13-K57 HydrophobicContact CZ-CD 4.22Å; E25-K57 IonicContact OE2-NZ 3.44Å; E25-K57 PolarHBondContact OE2-NZ 3.36Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 HydrophobicContact CD1-CD 3.97Å; I40-K57 HydrophobicContact CD1-CG 3.62Å |
| 58 | F | 95.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 20% | 0.202 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.3 | -176.7 | -62.6 | -93.7 | 0 | 0 | 0 | 111 | V39 V41 L53 K55 V60 L73 | V39-F58 HydrophobicContact CB-CB 4.43Å; V39-F58 PolarHBondContact N-O 3.15Å; V39-F58 PolarHBondContact O-N 3.41Å; V41-F58 HydrophobicContact CB-CD2 3.98Å; V41-F58 HydrophobicContact CB-CE2 3.77Å; V41-F58 HydrophobicContact CG2-CD2 3.6Å; V41-F58 HydrophobicContact CG2-CE2 3.85Å; V41-F58 HydrophobicContact CG2-CG 4.49Å; L53-F58 HydrophobicContact CD1-CE2 4.26Å; L53-F58 HydrophobicContact CD1-CZ 4.26Å; K55-F58 WeakPolarHBondContact O-CE2 3.21Å; K55-F58 WeakPolarHBondContact O-CZ 3.42Å; F58-V60 HydrophobicContact CB-CG2 3.99Å; F58-L73 HydrophobicContact CE1-CD2 4.38Å; F58-L73 HydrophobicContact CE2-CD2 4.45Å; F58-L73 HydrophobicContact CZ-CD2 4.08Å |
| 59 | L | 96.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 107 | 167 | -73 | 176.7 | 0 | 0 | 0 | 108 | I29 F33 K36 L37 | I29-L59 HydrophobicContact CD1-CD2 4.48Å; F33-L59 HydrophobicContact CD2-CD1 3.62Å; F33-L59 HydrophobicContact CE2-CD1 3.8Å; F33-L59 HydrophobicContact CG-CD1 4.08Å; F33-L59 HydrophobicContact CZ-CD1 4.4Å; K36-L59 HydrophobicContact CB-CB 4.11Å; K36-L59 HydrophobicContact CB-CD2 4.4Å; K36-L59 HydrophobicContact CD-CB 3.85Å; L37-L59 WeakPolarHBondContact O-CA 3.41Å |
| 60 | V | 96.8 | Very high | 93 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.2 | -171 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | K36 L37 V39 F58 L64 F69 M101 | K36-V60 CarbonylContact C-O 3.54Å; K36-V60 WeakPolarHBondContact CA-O 3.49Å; L37-V60 PolarHBondContact N-O 2.95Å; L37-V60 PolarHBondContact O-N 3.01Å; V39-V60 HydrophobicContact CB-CG2 3.99Å; V39-V60 HydrophobicContact CG2-CB 4.05Å; V39-V60 HydrophobicContact CG2-CG2 3.58Å; F58-V60 HydrophobicContact CB-CG2 3.99Å; V60-L64 HydrophobicContact CG1-CB 4.32Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; V60-F69 HydrophobicContact CG1-CD2 3.95Å; V60-F69 HydrophobicContact CG1-CE2 4.2Å; V60-F69 HydrophobicContact CG2-CD2 4.07Å; V60-F69 HydrophobicContact CG2-CE2 3.45Å; V60-F69 VanDerWaalsContact CG2-CE2 3.45Å; V60-F69 HydrophobicContact CG2-CZ 3.93Å; V60-M101 HydrophobicContact CB-CE 4.38Å; V60-M101 HydrophobicContact CG1-CB 4.31Å; V60-M101 HydrophobicContact CG1-CE 4.11Å; V60-M101 HydrophobicContact CG1-CG 3.94Å; V60-M101 HydrophobicContact CG2-CE 4.43Å |
| 61 | P | 97.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 142.7 | 173 | -21.6 | 33 | 0 | 0 | 0 | 111.8 | E63 L64 | P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 3.3Å; P61-L64 HydrophobicContact CB-CB 4.4Å; P61-L64 WeakPolarHBondContact O-CB 3.42Å; P61-L64 PolarHBondContact O-N 2.87Å |
| 62 | F | 94.6 | Very high | 93.2 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -31.2 | -176.5 | 63.8 | -91.8 | 0 | 0 | 0 | 113.8 | N35 L37 L64 M101 G102 | N35-F62 HydrophobicContact CB-CD1 4.11Å; N35-F62 HydrophobicContact CB-CE1 3.86Å; N35-F62 WeakPolarHBondContact O-CD1 3.37Å; L37-F62 HydrophobicContact CD1-CB 4.22Å; L37-F62 HydrophobicContact CG-CB 4.41Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.79Å; F62-M101 PolarHBondContact O-N 3.49Å; F62-G102 PolarHBondContact O-N 3.26Å |
| 63 | E | 94.6 | Very high | 93.4 | Very high | 145 Ų | 145 | 61 Ų | 61 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -19.3 | -178.1 | -57.3 | 176.8 | 98.4 | 0 | 0 | 113 | P61 T65 | P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 3.3Å; E63-T65 PolarHBondContact O-N 2.58Å |
| 64 | L | 96.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | trans | -66.1 | 134 | -176.7 | -165.5 | 137.8 | 0 | 0 | 0 | 109.2 | V60 P61 F62 Q68 F69 L72 M101 | V60-L64 HydrophobicContact CG1-CB 4.32Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; P61-L64 HydrophobicContact CB-CB 4.4Å; P61-L64 WeakPolarHBondContact O-CB 3.42Å; P61-L64 PolarHBondContact O-N 2.87Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.79Å; L64-Q68 HydrophobicContact CD2-CB 4Å; L64-Q68 HydrophobicContact CG-CB 3.96Å; L64-F69 HydrophobicContact CD2-CB 3.43Å; L64-F69 VanDerWaalsContact CD2-CB 3.43Å; L64-F69 HydrophobicContact CD2-CD2 4.09Å; L64-F69 HydrophobicContact CD2-CG 4.2Å; L64-F69 VanDerWaalsContact CD2-N 3.35Å; L64-L72 HydrophobicContact CD1-CD1 3.76Å; L64-M101 HydrophobicContact CD2-CG 4.22Å; L64-M101 WeakPolarHBondContact O-CB 3.48Å; L64-M101 WeakPolarHBondContact O-CG 3.23Å; L64-M101 PolarHBondContact O-N 2.87Å | ||
| 65 | T | 96.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 156.8 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | E63 G67 Q68 F69 S98 S99 | E63-T65 PolarHBondContact O-N 2.58Å; T65-G67 PolarHBondContact O-N 3.5Å; T65-Q68 PolarHBondContact O-N 3.2Å; T65-Q68 VanDerWaalsContact O-N 3.15Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.01Å; T65-Q68 VanDerWaalsContact OG1-CD 3.28Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.25Å; T65-Q68 PolarHBondContact OG1-N 3Å; T65-Q68 PolarHBondContact OG1-OE1 3.47Å; T65-F69 PolarHBondContact O-N 3.29Å; T65-S98 WeakPolarHBondContact CG2-O 3.22Å; T65-S99 CarbonylContact C-O 3.56Å; T65-S99 WeakPolarHBondContact CA-O 3.47Å |
| 66 | L | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.3 | -38.9 | 176 | -175.4 | 62.9 | 0 | 0 | 0 | 112.4 | F69 L70 L87 V89 M94 M97 S99 M101 I104 | L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.87Å; L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.42Å; L66-L87 HydrophobicContact CD1-CD1 3.81Å; L66-V89 HydrophobicContact CD1-CG2 4.34Å; L66-M94 HydrophobicContact CD2-CB 3.52Å; L66-M94 HydrophobicContact CD2-CG 4.04Å; L66-M97 HydrophobicContact CD2-SD 4.08Å; L66-M97 HydrophobicContact CG-SD 4.1Å; L66-M97 PolarHBondContact N-O 3Å; L66-S99 PolarHBondContact N-O 3.2Å; L66-M101 HydrophobicContact CD1-SD 4.24Å; L66-I104 HydrophobicContact CB-CD1 3.72Å; L66-I104 HydrophobicContact CD1-CD1 4.17Å; L66-I104 HydrophobicContact CD2-CD1 4.12Å; L66-I104 HydrophobicContact CG-CD1 4.22Å |
| 67 | G | 93.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 25% | 0.247 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T65 F69 L70 C71 M97 | T65-G67 PolarHBondContact O-N 3.5Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 2.81Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-C71 PolarHBondContact O-N 3.25Å; G67-M97 PolarHBondContact N-O 3.08Å |
| 68 | Q | 94.9 | Very high | 91.8 | Very high | 102 Ų | 102 | 59.8 Ų | 59.8 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 171.7 | -74.2 | 166.8 | -29.3 | 0 | 0 | 111.1 | L64 T65 C71 L72 | L64-Q68 HydrophobicContact CD2-CB 4Å; L64-Q68 HydrophobicContact CG-CB 3.96Å; T65-Q68 PolarHBondContact O-N 3.2Å; T65-Q68 VanDerWaalsContact O-N 3.15Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.01Å; T65-Q68 VanDerWaalsContact OG1-CD 3.28Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.25Å; T65-Q68 PolarHBondContact OG1-N 3Å; T65-Q68 PolarHBondContact OG1-OE1 3.47Å; Q68-C71 WeakPolarHBondContact O-CB 3.42Å; Q68-C71 PolarHBondContact O-N 3.46Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 3.27Å |
| 69 | F | 94.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 178.9 | -170.6 | -121.4 | 0 | 0 | 0 | 111.4 | V39 V41 V60 L64 T65 L66 G67 C71 L72 L73 L87 M101 I117 | V39-F69 HydrophobicContact CG1-CE1 4.38Å; V39-F69 HydrophobicContact CG1-CZ 4.29Å; V41-F69 HydrophobicContact CG2-CE1 3.98Å; V41-F69 HydrophobicContact CG2-CZ 3.79Å; V60-F69 HydrophobicContact CG1-CD2 3.95Å; V60-F69 HydrophobicContact CG1-CE2 4.2Å; V60-F69 HydrophobicContact CG2-CD2 4.07Å; V60-F69 HydrophobicContact CG2-CE2 3.45Å; V60-F69 VanDerWaalsContact CG2-CE2 3.45Å; V60-F69 HydrophobicContact CG2-CZ 3.93Å; L64-F69 HydrophobicContact CD2-CB 3.43Å; L64-F69 VanDerWaalsContact CD2-CB 3.43Å; L64-F69 HydrophobicContact CD2-CD2 4.09Å; L64-F69 HydrophobicContact CD2-CG 4.2Å; L64-F69 VanDerWaalsContact CD2-N 3.35Å; T65-F69 PolarHBondContact O-N 3.29Å; L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.87Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 2.81Å; F69-C71 VanDerWaalsContact C-N 3.33Å; F69-C71 PolarHBondContact O-N 2.58Å; F69-L72 PolarHBondContact O-N 2.86Å; F69-L73 HydrophobicContact CD1-CD1 3.86Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CG 4.38Å; F69-L73 HydrophobicContact CZ-CD1 3.84Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.06Å; F69-L73 PolarHBondContact O-N 2.78Å; F69-L87 HydrophobicContact CD1-CD1 4.08Å; F69-M101 HydrophobicContact CB-SD 4.24Å; F69-M101 HydrophobicContact CD1-CE 4.07Å; F69-M101 HydrophobicContact CD1-SD 4.22Å; F69-M101 HydrophobicContact CE1-CE 4.27Å; F69-M101 HydrophobicContact CG-CE 4.31Å; F69-M101 HydrophobicContact CG-SD 4.27Å; F69-I117 HydrophobicContact CD1-CD1 4.24Å; F69-I117 HydrophobicContact CE1-CD1 3.88Å |
| 70 | L | 91.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 173.4 | 174.6 | 68.3 | 0 | 0 | 0 | 111.5 | L66 G67 L72 L73 R74 L85 L87 M97 | L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.42Å; G67-L70 PolarHBondContact O-N 3.45Å; L70-L72 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.46Å; L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 PolarHBondContact O-N 3.44Å; L70-L85 HydrophobicContact CD1-CB 4.01Å; L70-L85 HydrophobicContact CD1-CD2 3.66Å; L70-L85 HydrophobicContact CD1-CG 3.74Å; L70-L85 WeakPolarHBondContact CD1-O 3.48Å; L70-L87 HydrophobicContact CB-CD1 3.9Å; L70-L87 HydrophobicContact CD1-CD1 4.07Å; L70-L87 HydrophobicContact CD1-CD2 4.29Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L70-M97 HydrophobicContact CD2-CE 4.24Å; L70-M97 HydrophobicContact CD2-SD 4.36Å |
| 71 | C | 90.1 | Very high | 88.4 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 49% | 0.493 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 112 | G67 Q68 F69 R74 N75 | G67-C71 PolarHBondContact O-N 3.25Å; Q68-C71 WeakPolarHBondContact O-CB 3.42Å; Q68-C71 PolarHBondContact O-N 3.46Å; F69-C71 VanDerWaalsContact C-N 3.33Å; F69-C71 PolarHBondContact O-N 2.58Å; C71-R74 WeakPolarHBondContact O-CB 3.38Å; C71-R74 PolarHBondContact O-N 3.05Å; C71-N75 PolarHBondContact O-N 3.42Å |
| 72 | L | 91.4 | Very high | 87.3 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 48% | 0.482 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.4 | -68.6 | 176.6 | 0 | 0 | 0 | 112.2 | L64 Q68 F69 L70 R74 N75 K76 | L64-L72 HydrophobicContact CD1-CD1 3.76Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 3.27Å; F69-L72 PolarHBondContact O-N 2.86Å; L70-L72 PolarHBondContact O-N 2.83Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-N75 PolarHBondContact O-N 2.85Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.34Å |
| 73 | L | 91.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 176 | -75.7 | 177.4 | 0 | 0 | 0 | 111.8 | V41 L53 F58 F69 L70 N75 K76 I77 L85 L87 | V41-L73 HydrophobicContact CG1-CD1 3.93Å; V41-L73 HydrophobicContact CG1-CD2 4.21Å; V41-L73 HydrophobicContact CG2-CD1 4.35Å; V41-L73 HydrophobicContact CG2-CD2 4.48Å; L53-L73 HydrophobicContact CD1-CD2 4.23Å; F58-L73 HydrophobicContact CE1-CD2 4.38Å; F58-L73 HydrophobicContact CE2-CD2 4.45Å; F58-L73 HydrophobicContact CZ-CD2 4.08Å; F69-L73 HydrophobicContact CD1-CD1 3.86Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CG 4.38Å; F69-L73 HydrophobicContact CZ-CD1 3.84Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.06Å; F69-L73 PolarHBondContact O-N 2.78Å; L70-L73 PolarHBondContact O-N 3.46Å; L73-N75 PolarHBondContact O-N 3.3Å; L73-K76 WeakPolarHBondContact O-CA 3.13Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.48Å; L73-L85 HydrophobicContact CB-CD2 4.2Å; L73-L87 HydrophobicContact CD1-CD1 4.19Å; L73-L87 HydrophobicContact CD1-CD2 3.73Å |
| 74 | R | 88.3 | Confident | 85.9 | Confident | 86 Ų | 86 | 62 Ų | 62 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -33.6 | 174.5 | -172.1 | -175.6 | 178.6 | 97.3 | 5.8 | 112.2 | L70 C71 L72 K76 L79 G81 Q83 L85 | L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 PolarHBondContact O-N 3.44Å; C71-R74 WeakPolarHBondContact O-CB 3.38Å; C71-R74 PolarHBondContact O-N 3.05Å; L72-R74 VanDerWaalsContact C-N 3.34Å; R74-K76 VanDerWaalsContact C-N 3.32Å; R74-L79 HydrophobicContact CB-CD1 4.38Å; R74-L79 HydrophobicContact CG-CD1 3.81Å; R74-G81 PolarHBondContact NH2-O 3.31Å; R74-G81 VanDerWaalsContact NH2-O 3.09Å; R74-Q83 PolarHBondContact NH1-O 3.23Å; R74-Q83 PolarHBondContact NH2-O 3.23Å; R74-L85 HydrophobicContact CB-CD2 4.31Å |
| 75 | N | 85.4 | Confident | 85.5 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 68% | 0.684 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -77.9 | -16.9 | 175.2 | -67 | -22 | 0 | 0 | 0 | 113.4 | C71 L72 L73 | C71-N75 PolarHBondContact O-N 3.42Å; L72-N75 PolarHBondContact O-N 2.85Å; L73-N75 PolarHBondContact O-N 3.3Å |
| 76 | K | 85.9 | Confident | 85.1 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -93.1 | -36 | 179.3 | -68.1 | -66.3 | -177.1 | -172.8 | 0 | 112.6 | L53 L72 L73 R74 | L53-K76 HydrophobicContact CD2-CB 3.91Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.34Å; L73-K76 WeakPolarHBondContact O-CA 3.13Å; L73-K76 PolarHBondContact O-N 2.9Å; R74-K76 VanDerWaalsContact C-N 3.32Å |
| 77 | I | 84 | Confident | 85 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 115.3 | 171.5 | -55.9 | 169.7 | 0 | 0 | 0 | 104.5 | P51 L53 L73 L79 L85 Y119 | P51-I77 HydrophobicContact CG-CG2 3.63Å; L53-I77 HydrophobicContact CD2-CD1 4.29Å; L53-I77 HydrophobicContact CD2-CG1 3.42Å; L53-I77 VanDerWaalsContact CD2-CG1 3.42Å; L53-I77 HydrophobicContact CG-CD1 4.4Å; L53-I77 HydrophobicContact CG-CG1 3.89Å; L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.48Å; I77-L79 HydrophobicContact CB-CD1 4.09Å; I77-L79 HydrophobicContact CB-CG 3.93Å; I77-L79 HydrophobicContact CG2-CD1 4.09Å; I77-L79 HydrophobicContact CG2-CD2 3.7Å; I77-L79 HydrophobicContact CG2-CG 3.58Å; I77-L79 WeakPolarHBondContact O-CG 3.42Å; I77-L79 PolarHBondContact O-N 3.27Å; I77-L85 HydrophobicContact CD1-CD1 3.73Å; I77-L85 HydrophobicContact CD1-CD2 3.82Å; I77-L85 HydrophobicContact CD1-CG 4.46Å; I77-Y119 HydrophobicContact CD1-CD1 4.26Å; I77-Y119 HydrophobicContact CD1-CD2 3.55Å; I77-Y119 HydrophobicContact CD1-CE1 4.32Å; I77-Y119 HydrophobicContact CD1-CE2 3.61Å; I77-Y119 HydrophobicContact CD1-CG 3.87Å; I77-Y119 HydrophobicContact CG1-CE2 4.38Å |
| 78 | A | 73.8 | Confident | 84.8 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 76.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 79 | L | 77 | Confident | 84.7 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | trans | -91.7 | 136.1 | -174.6 | -71.5 | 169 | 0 | 0 | 0 | 110.3 | L50 R74 I77 Q83 L85 | L50-L79 HydrophobicContact CD1-CD2 4.35Å; L50-L79 HydrophobicContact CD2-CD2 3.46Å; L50-L79 VanDerWaalsContact CD2-CD2 3.46Å; L50-L79 HydrophobicContact CG-CD2 4.35Å; R74-L79 HydrophobicContact CB-CD1 4.38Å; R74-L79 HydrophobicContact CG-CD1 3.81Å; I77-L79 HydrophobicContact CB-CD1 4.09Å; I77-L79 HydrophobicContact CB-CG 3.93Å; I77-L79 HydrophobicContact CG2-CD1 4.09Å; I77-L79 HydrophobicContact CG2-CD2 3.7Å; I77-L79 HydrophobicContact CG2-CG 3.58Å; I77-L79 WeakPolarHBondContact O-CG 3.42Å; I77-L79 PolarHBondContact O-N 3.27Å; L79-Q83 HydrophobicContact CD2-CB 4.17Å; L79-Q83 VanDerWaalsContact CD2-OE1 3.28Å; L79-L85 HydrophobicContact CD1-CB 3.89Å; L79-L85 HydrophobicContact CD1-CD1 4.26Å; L79-L85 HydrophobicContact CD1-CD2 4.06Å; L79-L85 HydrophobicContact CD1-CG 4.31Å | ||
| 80 | D | 72.6 | Confident | 84.3 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | trans | -62.9 | 147.2 | 164.7 | -72.4 | -77.4 | 0 | 0 | 0 | 110.5 | T82 Q83 | D80-T82 PolarHBondContact O-N 2.61Å; D80-Q83 HydrophobicContact CB-CG 4.27Å; D80-Q83 PolarHBondContact O-N 3.24Å | ||
| 81 | G | 69.7 | Low | 83.8 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 73% | 0.732 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R74 | R74-G81 PolarHBondContact NH2-O 3.31Å; R74-G81 VanDerWaalsContact NH2-O 3.09Å |
| 82 | T | 73.3 | Confident | 83.5 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 81% | 0.81 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.5 | -179.1 | 54.7 | 0 | 0 | 0 | 0 | 114 | D80 | D80-T82 PolarHBondContact O-N 2.61Š|
| 83 | Q | 78.5 | Confident | 82.8 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | trans | -82.4 | 134.5 | -177.7 | -68.8 | -179 | -17.1 | 0 | 0 | 111.1 | R74 L79 D80 | R74-Q83 PolarHBondContact NH1-O 3.23Å; R74-Q83 PolarHBondContact NH2-O 3.23Å; L79-Q83 HydrophobicContact CD2-CB 4.17Å; L79-Q83 VanDerWaalsContact CD2-OE1 3.28Å; D80-Q83 HydrophobicContact CB-CG 4.27Å; D80-Q83 PolarHBondContact O-N 3.24Å | ||
| 84 | T | 82 | Confident | 82.1 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | trans | -98.7 | 131.8 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | F86 S121 | T84-F86 HydrophobicContact CG2-CD2 4.02Å; T84-F86 HydrophobicContact CG2-CE2 3.29Å; T84-F86 HydrophobicContact CG2-CZ 3.6Å; T84-S121 WeakPolarHBondContact O-CA 3.46Å | ||
| 85 | L | 87.1 | Confident | 81.2 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.6 | 179 | -176.5 | 70 | 0 | 0 | 0 | 109.5 | L50 L70 L73 R74 I77 L79 Y119 | L50-L85 HydrophobicContact CD1-CD1 3.58Å; L70-L85 HydrophobicContact CD1-CB 4.01Å; L70-L85 HydrophobicContact CD1-CD2 3.66Å; L70-L85 HydrophobicContact CD1-CG 3.74Å; L70-L85 WeakPolarHBondContact CD1-O 3.48Å; L73-L85 HydrophobicContact CB-CD2 4.2Å; R74-L85 HydrophobicContact CB-CD2 4.31Å; I77-L85 HydrophobicContact CD1-CD1 3.73Å; I77-L85 HydrophobicContact CD1-CD2 3.82Å; I77-L85 HydrophobicContact CD1-CG 4.46Å; L79-L85 HydrophobicContact CD1-CB 3.89Å; L79-L85 HydrophobicContact CD1-CD1 4.26Å; L79-L85 HydrophobicContact CD1-CD2 4.06Å; L79-L85 HydrophobicContact CD1-CG 4.31Å; L85-Y119 HydrophobicContact CD1-CD2 3.7Å; L85-Y119 HydrophobicContact CD1-CG 4.14Å |
| 86 | F | 88.9 | Confident | 81.1 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.7 | 174.5 | -68.1 | -91.3 | 0 | 0 | 0 | 110.2 | T84 Y119 A120 Q122 | T84-F86 HydrophobicContact CG2-CD2 4.02Å; T84-F86 HydrophobicContact CG2-CE2 3.29Å; T84-F86 HydrophobicContact CG2-CZ 3.6Å; F86-Y119 WeakPolarHBondContact O-CA 3.43Å; F86-A120 PolarHBondContact N-O 2.84Å; F86-A120 PolarHBondContact O-N 3Å; F86-Q122 HydrophobicContact CD2-CB 4.38Å; F86-Q122 HydrophobicContact CE2-CB 3.61Å; F86-Q122 HydrophobicContact CE2-CG 3.89Å; F86-Q122 HydrophobicContact CZ-CB 4.4Å; F86-Q122 HydrophobicContact CZ-CG 4.2Å |
| 87 | L | 90.8 | Very high | 81.2 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.9 | 173.2 | -59.7 | 179.3 | 0 | 0 | 0 | 110.1 | L66 F69 L70 L73 I117 T118 | L66-L87 HydrophobicContact CD1-CD1 3.81Å; F69-L87 HydrophobicContact CD1-CD1 4.08Å; L70-L87 HydrophobicContact CB-CD1 3.9Å; L70-L87 HydrophobicContact CD1-CD1 4.07Å; L70-L87 HydrophobicContact CD1-CD2 4.29Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L73-L87 HydrophobicContact CD1-CD1 4.19Å; L73-L87 HydrophobicContact CD1-CD2 3.73Å; L87-I117 HydrophobicContact CB-CG2 4.01Å; L87-I117 HydrophobicContact CD1-CG2 4.45Å; L87-I117 HydrophobicContact CD2-CG2 3.97Å; L87-I117 HydrophobicContact CG-CG2 4.34Å; L87-T118 CarbonylContact C-O 3.55Å; L87-T118 WeakPolarHBondContact CA-O 3.44Å |
| 88 | L | 90.1 | Very high | 81.6 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.2 | 167.8 | -56.8 | 87.2 | 0 | 0 | 0 | 108.2 | R92 I117 T118 A120 F125 | L88-R92 CarbonylContact C-O 3.5Å; L88-R92 VanDerWaalsContact CA-O 3.22Å; L88-R92 WeakPolarHBondContact CA-O 3.43Å; L88-I117 CarbonylContact O-C 3.44Å; L88-I117 VanDerWaalsContact O-CA 3.22Å; L88-I117 WeakPolarHBondContact O-CA 3.08Å; L88-T118 WeakPolarHBondContact CB-OG1 3.1Å; L88-T118 PolarHBondContact N-O 2.96Å; L88-T118 PolarHBondContact O-N 3.23Å; L88-A120 HydrophobicContact CD1-CB 4.39Å; L88-F125 HydrophobicContact CD2-CE2 4.18Å; L88-F125 HydrophobicContact CG-CE2 4.37Å |
| 89 | V | 91.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | L66 E91 R92 M94 I104 F108 L115 I117 | L66-V89 HydrophobicContact CD1-CG2 4.34Å; V89-E91 PolarHBondContact O-N 2.85Å; V89-R92 PolarHBondContact N-O 2.79Å; V89-R92 PolarHBondContact O-N 2.92Å; V89-M94 HydrophobicContact CB-CE 3.62Å; V89-M94 HydrophobicContact CB-CG 3.92Å; V89-M94 HydrophobicContact CG1-CE 3.93Å; V89-M94 HydrophobicContact CG2-CE 4.09Å; V89-M94 HydrophobicContact CG2-CG 3.64Å; V89-I104 HydrophobicContact CB-CG2 4.41Å; V89-I104 HydrophobicContact CG1-CG2 3.56Å; V89-I104 HydrophobicContact CG2-CG2 4.21Å; V89-F108 HydrophobicContact CG1-CB 3.84Å; V89-F108 HydrophobicContact CG1-CG 4.22Å; V89-L115 HydrophobicContact CG1-CD1 3.67Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-I117 HydrophobicContact CG1-CG1 4.46Å; V89-I117 HydrophobicContact CG2-CD1 4.23Å; V89-I117 HydrophobicContact CG2-CG1 4.17Å |
| 90 | A | 86.7 | Confident | 83.5 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R92 F108 Y116 | A90-R92 PolarHBondContact O-N 2.82Å; A90-F108 HydrophobicContact CB-CB 4.16Å; A90-F108 HydrophobicContact CB-CD1 4.29Å; A90-Y116 PolarHBondContact N-O 3.04Å |
| 91 | E | 81.4 | Confident | 84.6 | Confident | 170 Ų | 170 | 61.9 Ų | 61.9 | 79% | 0.794 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 12.4 | -179 | -51.1 | -176.9 | 101.3 | 0 | 0 | 115.3 | V89 | V89-E91 PolarHBondContact O-N 2.85Š|
| 92 | R | 83.1 | Confident | 85.9 | Confident | 164 Ų | 164 | 59.5 Ų | 59.5 | 62% | 0.619 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.8 | 177.5 | -59.7 | 178.7 | -174.9 | -173.1 | 1.1 | 111.1 | L88 V89 A90 | L88-R92 CarbonylContact C-O 3.5Å; L88-R92 VanDerWaalsContact CA-O 3.22Å; L88-R92 WeakPolarHBondContact CA-O 3.43Å; V89-R92 PolarHBondContact N-O 2.79Å; V89-R92 PolarHBondContact O-N 2.92Å; A90-R92 PolarHBondContact O-N 2.82Å |
| 93 | S | 78.2 | Confident | 87 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.6 | 169.7 | 56 | 0 | 0 | 0 | 0 | 110.2 | ||
| 94 | M | 76.1 | Confident | 87.8 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | trans | -102.2 | 122.1 | 176.7 | -72.3 | -67.2 | -165.6 | 0 | 0 | 109.6 | L66 V89 I104 F108 | L66-M94 HydrophobicContact CD2-CB 3.52Å; L66-M94 HydrophobicContact CD2-CG 4.04Å; V89-M94 HydrophobicContact CB-CE 3.62Å; V89-M94 HydrophobicContact CB-CG 3.92Å; V89-M94 HydrophobicContact CG1-CE 3.93Å; V89-M94 HydrophobicContact CG2-CE 4.09Å; V89-M94 HydrophobicContact CG2-CG 3.64Å; M94-I104 HydrophobicContact CE-CG2 4.33Å; M94-F108 HydrophobicContact CE-CD1 4.17Å; M94-F108 HydrophobicContact CE-CD2 3.4Å; M94-F108 VanDerWaalsContact CE-CD2 3.4Å; M94-F108 HydrophobicContact CE-CE1 3.98Å; M94-F108 HydrophobicContact CE-CE2 3.22Å; M94-F108 HydrophobicContact CE-CG 3.91Å; M94-F108 HydrophobicContact CE-CZ 3.51Å; M94-F108 HydrophobicContact SD-CE2 4.44Å; M94-F108 HydrophobicContact SD-CZ 4.49Å | ||
| 95 | S | 69 | Low | 88.4 | Confident | 125 Ų | 125 | 52.4 Ų | 52.4 | 87% | 0.874 | 30% | 0.298 | S | S | * | . | trans | -82 | -23.7 | 173.4 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | M97 | S95-M97 PolarHBondContact O-N 2.8Š| ||
| 96 | S | 82.7 | Confident | 88.8 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | trans | -95.1 | 96.8 | -176.9 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | S98 S99 | S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact OG-OG 3Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact OG-OG 3.49Å | ||
| 97 | M | 88.5 | Confident | 89 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 37% | 0.365 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.4 | 175.1 | -66.8 | -63.1 | 176.7 | 0 | 0 | 113.4 | L66 G67 L70 S95 | L66-M97 HydrophobicContact CD2-SD 4.08Å; L66-M97 HydrophobicContact CG-SD 4.1Å; L66-M97 PolarHBondContact N-O 3Å; G67-M97 PolarHBondContact N-O 3.08Å; L70-M97 HydrophobicContact CD2-CE 4.24Å; L70-M97 HydrophobicContact CD2-SD 4.36Å; S95-M97 PolarHBondContact O-N 2.8Å |
| 98 | S | 92.7 | Very high | 89.3 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13 | 179.2 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | T65 S96 S100 | T65-S98 WeakPolarHBondContact CG2-O 3.22Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact OG-OG 3Å; S98-S100 PolarHBondContact O-N 3.32Å |
| 99 | S | 94.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -61.6 | 135.8 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | T65 L66 S96 | T65-S99 CarbonylContact C-O 3.56Å; T65-S99 WeakPolarHBondContact CA-O 3.47Å; L66-S99 PolarHBondContact N-O 3.2Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact OG-OG 3.49Å |
| 100 | S | 96.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 148.1 | 173.9 | 82.4 | 0 | 0 | 0 | 0 | 110.6 | S98 G102 D103 I104 | S98-S100 PolarHBondContact O-N 3.32Å; S100-G102 PolarHBondContact O-N 3.23Å; S100-G102 PolarHBondContact OG-N 2.94Å; S100-D103 PolarHBondContact O-N 2.84Å; S100-D103 WeakPolarHBondContact OG-CB 3.26Å; S100-D103 PolarHBondContact OG-N 3.28Å; S100-D103 PolarHBondContact OG-OD2 3.19Å; S100-I104 WeakPolarHBondContact O-CG1 3.22Å; S100-I104 PolarHBondContact O-N 3.48Å |
| 101 | M | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.6 | -28.6 | 174.2 | -74 | -67.2 | -68.8 | 0 | 0 | 110.9 | L37 V39 V60 F62 L64 L66 F69 I104 Y105 L115 I117 | L37-M101 HydrophobicContact CD1-CB 3.86Å; L37-M101 VanDerWaalsContact CD1-O 3.27Å; L37-M101 WeakPolarHBondContact CD1-O 3.36Å; V39-M101 HydrophobicContact CG1-CE 4.44Å; V39-M101 HydrophobicContact CG2-CE 3.84Å; V60-M101 HydrophobicContact CB-CE 4.38Å; V60-M101 HydrophobicContact CG1-CB 4.31Å; V60-M101 HydrophobicContact CG1-CE 4.11Å; V60-M101 HydrophobicContact CG1-CG 3.94Å; V60-M101 HydrophobicContact CG2-CE 4.43Å; F62-M101 PolarHBondContact O-N 3.49Å; L64-M101 HydrophobicContact CD2-CG 4.22Å; L64-M101 WeakPolarHBondContact O-CB 3.48Å; L64-M101 WeakPolarHBondContact O-CG 3.23Å; L64-M101 PolarHBondContact O-N 2.87Å; L66-M101 HydrophobicContact CD1-SD 4.24Å; F69-M101 HydrophobicContact CB-SD 4.24Å; F69-M101 HydrophobicContact CD1-CE 4.07Å; F69-M101 HydrophobicContact CD1-SD 4.22Å; F69-M101 HydrophobicContact CE1-CE 4.27Å; F69-M101 HydrophobicContact CG-CE 4.31Å; F69-M101 HydrophobicContact CG-SD 4.27Å; M101-I104 HydrophobicContact SD-CD1 4.34Å; M101-Y105 WeakPolarHBondContact O-CB 3.37Å; M101-Y105 PolarHBondContact O-N 2.74Å; M101-L115 HydrophobicContact CE-CD2 3.96Å; M101-I117 HydrophobicContact CE-CD1 3.94Å |
| 102 | G | 96.4 | Very high | 90.9 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 22% | 0.216 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F62 S100 I104 Y105 S106 | F62-G102 PolarHBondContact O-N 3.26Å; S100-G102 PolarHBondContact O-N 3.23Å; S100-G102 PolarHBondContact OG-N 2.94Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.84Å; G102-Y105 PolarHBondContact O-N 3.3Å; G102-S106 PolarHBondContact O-N 3.09Å |
| 103 | D | 95.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.1 | -81.8 | -76.1 | 0 | 0 | 0 | 111.5 | S100 S106 R107 | S100-D103 PolarHBondContact O-N 2.84Å; S100-D103 WeakPolarHBondContact OG-CB 3.26Å; S100-D103 PolarHBondContact OG-N 3.28Å; S100-D103 PolarHBondContact OG-OD2 3.19Å; D103-S106 PolarHBondContact O-N 2.67Å; D103-R107 WeakPolarHBondContact O-CG 3.49Å; D103-R107 PolarHBondContact O-N 3.02Å |
| 104 | I | 95.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 178.2 | -66.7 | 170.4 | 0 | 0 | 0 | 110.1 | L66 V89 M94 S100 M101 G102 S106 R107 F108 L115 | L66-I104 HydrophobicContact CB-CD1 3.72Å; L66-I104 HydrophobicContact CD1-CD1 4.17Å; L66-I104 HydrophobicContact CD2-CD1 4.12Å; L66-I104 HydrophobicContact CG-CD1 4.22Å; V89-I104 HydrophobicContact CB-CG2 4.41Å; V89-I104 HydrophobicContact CG1-CG2 3.56Å; V89-I104 HydrophobicContact CG2-CG2 4.21Å; M94-I104 HydrophobicContact CE-CG2 4.33Å; S100-I104 WeakPolarHBondContact O-CG1 3.22Å; S100-I104 PolarHBondContact O-N 3.48Å; M101-I104 HydrophobicContact SD-CD1 4.34Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.84Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.8Å; I104-R107 PolarHBondContact O-N 2.86Å; I104-F108 HydrophobicContact CG2-CD2 4.21Å; I104-F108 WeakPolarHBondContact O-CB 3.33Å; I104-F108 WeakPolarHBondContact O-CD2 3.41Å; I104-F108 PolarHBondContact O-N 2.75Å; I104-L115 HydrophobicContact CG2-CD1 4.25Å; I104-L115 HydrophobicContact CG2-CD2 3.89Å |
| 105 | Y | 96 | Very high | 93.4 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 179 | -180 | -88.5 | 0 | 0 | 0 | 112.1 | L37 M101 G102 R107 R109 G113 L115 | L37-Y105 HydrophobicContact CB-CD2 4.17Å; L37-Y105 HydrophobicContact CD1-CG 4.31Å; L37-Y105 HydrophobicContact CD2-CD1 3.88Å; L37-Y105 HydrophobicContact CD2-CD2 4.17Å; L37-Y105 HydrophobicContact CD2-CE1 4.32Å; L37-Y105 HydrophobicContact CD2-CG 3.81Å; L37-Y105 HydrophobicContact CG-CG 4.43Å; M101-Y105 WeakPolarHBondContact O-CB 3.37Å; M101-Y105 PolarHBondContact O-N 2.74Å; G102-Y105 PolarHBondContact O-N 3.3Å; Y105-R107 VanDerWaalsContact C-N 3.26Å; Y105-R107 PolarHBondContact O-N 2.95Å; Y105-R109 HydrophobicContact CD1-CB 4.46Å; Y105-R109 HydrophobicContact CD2-CB 4.12Å; Y105-R109 HydrophobicContact CE1-CB 4.31Å; Y105-R109 HydrophobicContact CE2-CB 3.9Å; Y105-R109 HydrophobicContact CG-CB 4.35Å; Y105-R109 WeakPolarHBondContact O-CB 3.42Å; Y105-R109 VanDerWaalsContact O-CG 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 3.05Å; Y105-G113 VanDerWaalsContact CE2-O 3.3Å; Y105-G113 WeakPolarHBondContact CE2-O 3.22Å; Y105-G113 VanDerWaalsContact CZ-O 3.32Å; Y105-G113 PolarHBondContact OH-O 2.99Å; Y105-L115 HydrophobicContact CD2-CB 3.77Å; Y105-L115 HydrophobicContact CE2-CB 4.33Å |
| 106 | S | 94.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 64% | 0.643 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 178.1 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | G102 D103 I104 | G102-S106 PolarHBondContact O-N 3.09Å; D103-S106 PolarHBondContact O-N 2.67Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.8Å |
| 107 | R | 93.8 | Very high | 95.3 | Very high | 187 Ų | 187 | 47.3 Ų | 47.3 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -87 | -32.1 | -176.8 | -64.4 | 178.7 | -170.3 | -156.9 | 3.4 | 114.6 | D103 I104 Y105 | D103-R107 WeakPolarHBondContact O-CG 3.49Å; D103-R107 PolarHBondContact O-N 3.02Å; I104-R107 PolarHBondContact O-N 2.86Å; Y105-R107 VanDerWaalsContact C-N 3.26Å; Y105-R107 PolarHBondContact O-N 2.95Å |
| 108 | F | 95.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.228 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -125.4 | 2.9 | -165.7 | -61.7 | -82.1 | 0 | 0 | 0 | 115 | V89 A90 M94 I104 L115 | V89-F108 HydrophobicContact CG1-CB 3.84Å; V89-F108 HydrophobicContact CG1-CG 4.22Å; A90-F108 HydrophobicContact CB-CB 4.16Å; A90-F108 HydrophobicContact CB-CD1 4.29Å; M94-F108 HydrophobicContact CE-CD1 4.17Å; M94-F108 HydrophobicContact CE-CD2 3.4Å; M94-F108 VanDerWaalsContact CE-CD2 3.4Å; M94-F108 HydrophobicContact CE-CE1 3.98Å; M94-F108 HydrophobicContact CE-CE2 3.22Å; M94-F108 HydrophobicContact CE-CG 3.91Å; M94-F108 HydrophobicContact CE-CZ 3.51Å; M94-F108 HydrophobicContact SD-CE2 4.44Å; M94-F108 HydrophobicContact SD-CZ 4.49Å; I104-F108 HydrophobicContact CG2-CD2 4.21Å; I104-F108 WeakPolarHBondContact O-CB 3.33Å; I104-F108 WeakPolarHBondContact O-CD2 3.41Å; I104-F108 PolarHBondContact O-N 2.75Å; F108-L115 HydrophobicContact CB-CD1 3.88Å |
| 109 | R | 95.2 | Very high | 95.5 | Very high | 128 Ų | 128 | 40.6 Ų | 40.6 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | trans | -58.1 | 148 | 171.6 | 68 | -177.7 | -174.1 | 159.1 | 1.4 | 110.8 | Y105 | Y105-R109 HydrophobicContact CD1-CB 4.46Å; Y105-R109 HydrophobicContact CD2-CB 4.12Å; Y105-R109 HydrophobicContact CE1-CB 4.31Å; Y105-R109 HydrophobicContact CE2-CB 3.9Å; Y105-R109 HydrophobicContact CG-CB 4.35Å; Y105-R109 WeakPolarHBondContact O-CB 3.42Å; Y105-R109 VanDerWaalsContact O-CG 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 3.05Å | ||
| 110 | D | 96.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 38.8 Ų | 38.8 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | trans | -80.9 | 171.5 | 176.9 | -155.6 | -96 | 0 | 0 | 0 | 112.2 | K14 D112 G113 F114 Y116 | K14-D110 IonicContact NZ-OD1 3.24Å; K14-D110 PolarHBondContact NZ-OD1 2.74Å; K14-D110 IonicContact NZ-OD2 2.61Å; K14-D110 PolarHBondContact NZ-OD2 3.28Å; D110-D112 VanDerWaalsContact CB-OD1 3.31Å; D110-D112 WeakPolarHBondContact CB-OD1 3.5Å; D110-D112 PolarHBondContact O-N 2.77Å; D110-G113 WeakPolarHBondContact O-CA 3.49Å; D110-G113 PolarHBondContact O-N 3.1Å; D110-F114 PolarHBondContact N-O 3.21Å; D110-Y116 HydrophobicContact CB-CD2 3.76Å; D110-Y116 HydrophobicContact CB-CE2 3.62Å | ||
| 111 | A | 95.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 37.8 Ų | 37.8 | 62% | 0.62 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K23 G113 | K23-A111 WeakPolarHBondContact CE-O 3.14Å; A111-G113 VanDerWaalsContact C-N 3.34Å |
| 112 | D | 96.6 | Very high | 94 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.9 | 171 | 59.3 | -102.5 | 0 | 0 | 0 | 113.9 | L19 R22 K23 V26 D110 F114 Y116 | L19-D112 HydrophobicContact CD1-CB 3.59Å; R22-D112 HydrophobicContact CB-CB 3.89Å; R22-D112 IonicContact CZ-OD1 3.74Å; R22-D112 IonicContact NH1-OD1 2.58Å; R22-D112 PolarHBondContact NH1-OD1 3.39Å; R22-D112 IonicContact NH1-OD2 3.86Å; K23-D112 HydrophobicContact CG-CB 4.36Å; V26-D112 WeakPolarHBondContact CG2-O 3.4Å; D110-D112 VanDerWaalsContact CB-OD1 3.31Å; D110-D112 WeakPolarHBondContact CB-OD1 3.5Å; D110-D112 PolarHBondContact O-N 2.77Å; D112-F114 VanDerWaalsContact OD2-CB 3.24Å; D112-F114 WeakPolarHBondContact OD2-CB 3.49Å; D112-F114 VanDerWaalsContact OD2-CD2 3.25Å; D112-F114 WeakPolarHBondContact OD2-CD2 3.48Å; D112-F114 PolarHBondContact OD2-N 2.99Å; D112-Y116 WeakPolarHBondContact OD1-CE2 3.44Å; D112-Y116 PolarHBondContact OD1-OH 2.69Å; D112-Y116 PolarHBondContact OD2-OH 3.19Å |
| 113 | G | 96.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 93.7 | 0.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y105 D110 A111 | Y105-G113 VanDerWaalsContact CE2-O 3.3Å; Y105-G113 WeakPolarHBondContact CE2-O 3.22Å; Y105-G113 VanDerWaalsContact CZ-O 3.32Å; Y105-G113 PolarHBondContact OH-O 2.99Å; D110-G113 WeakPolarHBondContact O-CA 3.49Å; D110-G113 PolarHBondContact O-N 3.1Å; A111-G113 VanDerWaalsContact C-N 3.34Å |
| 114 | F | 97.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -81 | 153.6 | 163.1 | -73.4 | -85.7 | 0 | 0 | 0 | 110.9 | F13 R22 E25 V26 I29 P38 I40 D110 D112 Y116 | F13-F114 AromaticContact CE1-CD2 3.98Å; F13-F114 HydrophobicContact CE1-CD2 3.98Å; F13-F114 AromaticContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CZ 4.3Å; F13-F114 HydrophobicContact CZ-CE2 4.16Å; F13-F114 HydrophobicContact CZ-CZ 4.31Å; R22-F114 HydrophobicContact CB-CE2 4.34Å; E25-F114 HydrophobicContact CB-CE2 4.42Å; E25-F114 HydrophobicContact CB-CZ 4.32Å; V26-F114 HydrophobicContact CG2-CD1 4.29Å; V26-F114 HydrophobicContact CG2-CD2 3.32Å; V26-F114 HydrophobicContact CG2-CE1 4.26Å; V26-F114 HydrophobicContact CG2-CE2 3.3Å; V26-F114 HydrophobicContact CG2-CG 3.84Å; V26-F114 HydrophobicContact CG2-CZ 3.78Å; I29-F114 HydrophobicContact CD1-CE1 4.08Å; I29-F114 HydrophobicContact CD1-CZ 4.21Å; P38-F114 HydrophobicContact CB-CD1 3.28Å; P38-F114 HydrophobicContact CB-CE1 3.47Å; P38-F114 VanDerWaalsContact CB-CE1 3.47Å; P38-F114 HydrophobicContact CB-CG 4.13Å; P38-F114 HydrophobicContact CB-CZ 4.45Å; I40-F114 HydrophobicContact CD1-CD1 3.66Å; I40-F114 HydrophobicContact CD1-CE1 3.84Å; I40-F114 HydrophobicContact CD1-CG 4.22Å; I40-F114 HydrophobicContact CG1-CB 3.92Å; I40-F114 HydrophobicContact CG1-CD1 3.61Å; I40-F114 HydrophobicContact CG1-CE1 4.31Å; I40-F114 HydrophobicContact CG1-CG 3.82Å; D110-F114 PolarHBondContact N-O 3.21Å; D112-F114 VanDerWaalsContact OD2-CB 3.24Å; D112-F114 WeakPolarHBondContact OD2-CB 3.49Å; D112-F114 VanDerWaalsContact OD2-CD2 3.25Å; D112-F114 WeakPolarHBondContact OD2-CD2 3.48Å; D112-F114 PolarHBondContact OD2-N 2.99Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE2 3.7Å |
| 115 | L | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.2 | 161.5 | -179.6 | 67.9 | 0 | 0 | 0 | 109 | P38 V39 I40 V89 M101 I104 Y105 F108 I117 | P38-L115 PolarHBondContact O-N 3.17Å; V39-L115 CarbonylContact C-O 3.6Å; V39-L115 WeakPolarHBondContact CA-O 3.17Å; V39-L115 HydrophobicContact CG2-CB 4.36Å; V39-L115 HydrophobicContact CG2-CD2 4.33Å; I40-L115 PolarHBondContact N-O 3.49Å; V89-L115 HydrophobicContact CG1-CD1 3.67Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; M101-L115 HydrophobicContact CE-CD2 3.96Å; I104-L115 HydrophobicContact CG2-CD1 4.25Å; I104-L115 HydrophobicContact CG2-CD2 3.89Å; Y105-L115 HydrophobicContact CD2-CB 3.77Å; Y105-L115 HydrophobicContact CE2-CB 4.33Å; F108-L115 HydrophobicContact CB-CD1 3.88Å; L115-I117 HydrophobicContact CD2-CD1 4.05Å; L115-I117 HydrophobicContact CD2-CG1 4.35Å; L115-I117 HydrophobicContact CG-CD1 4.45Å; L115-I117 HydrophobicContact CG-CG1 4.22Å |
| 116 | Y | 95.7 | Very high | 88.2 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.7 | 179.3 | -69.1 | -95.9 | 0 | 0 | 0 | 109.9 | F13 K14 R22 I40 A90 D110 D112 F114 | F13-Y116 HydrophobicContact CB-CE1 4.4Å; F13-Y116 AromaticContact CD1-CE1 3.93Å; F13-Y116 HydrophobicContact CD1-CE1 3.93Å; F13-Y116 WeakPolarHBondContact CD1-OH 3.4Å; K14-Y116 HydrophobicContact CD-CE1 4.3Å; K14-Y116 VanDerWaalsContact CE-CZ 3.4Å; K14-Y116 HydrophobicContact CG-CE1 3.63Å; K14-Y116 WeakPolarHBondContact CG-OH 3.46Å; R22-Y116 PolarHBondContact NH1-OH 3.31Å; I40-Y116 HydrophobicContact CB-CD1 3.83Å; I40-Y116 HydrophobicContact CB-CE1 3.97Å; I40-Y116 HydrophobicContact CB-CG 4.47Å; I40-Y116 HydrophobicContact CG1-CD1 4.28Å; I40-Y116 HydrophobicContact CG1-CE1 3.95Å; I40-Y116 HydrophobicContact CG2-CD1 3.95Å; I40-Y116 HydrophobicContact CG2-CE1 4.02Å; A90-Y116 PolarHBondContact N-O 3.04Å; D110-Y116 HydrophobicContact CB-CD2 3.76Å; D110-Y116 HydrophobicContact CB-CE2 3.62Å; D112-Y116 WeakPolarHBondContact OD1-CE2 3.44Å; D112-Y116 PolarHBondContact OD1-OH 2.69Å; D112-Y116 PolarHBondContact OD2-OH 3.19Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE2 3.7Å |
| 117 | I | 95.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.6 | 177.1 | -59.3 | -175.1 | 0 | 0 | 0 | 107.7 | V39 I40 V41 E42 F69 L87 L88 V89 M101 L115 | V39-I117 HydrophobicContact CG1-CD1 3.74Å; V39-I117 HydrophobicContact CG1-CG1 4Å; I40-I117 PolarHBondContact O-N 3.31Å; V41-I117 VanDerWaalsContact CA-O 3.26Å; V41-I117 WeakPolarHBondContact CA-O 3.43Å; V41-I117 HydrophobicContact CG2-CB 4.42Å; E42-I117 PolarHBondContact N-O 3.31Å; F69-I117 HydrophobicContact CD1-CD1 4.24Å; F69-I117 HydrophobicContact CE1-CD1 3.88Å; L87-I117 HydrophobicContact CB-CG2 4.01Å; L87-I117 HydrophobicContact CD1-CG2 4.45Å; L87-I117 HydrophobicContact CD2-CG2 3.97Å; L87-I117 HydrophobicContact CG-CG2 4.34Å; L88-I117 CarbonylContact O-C 3.44Å; L88-I117 VanDerWaalsContact O-CA 3.22Å; L88-I117 WeakPolarHBondContact O-CA 3.08Å; V89-I117 HydrophobicContact CG1-CG1 4.46Å; V89-I117 HydrophobicContact CG2-CD1 4.23Å; V89-I117 HydrophobicContact CG2-CG1 4.17Å; M101-I117 HydrophobicContact CE-CD1 3.94Å; L115-I117 HydrophobicContact CD2-CD1 4.05Å; L115-I117 HydrophobicContact CD2-CG1 4.35Å; L115-I117 HydrophobicContact CG-CD1 4.45Å; L115-I117 HydrophobicContact CG-CG1 4.22Å |
| 118 | T | 93.3 | Very high | 83 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.6 | 168.9 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | E42 L87 L88 | E42-T118 CarbonylContact O-C 3.52Å; E42-T118 WeakPolarHBondContact O-CA 3.33Å; L87-T118 CarbonylContact C-O 3.55Å; L87-T118 WeakPolarHBondContact CA-O 3.44Å; L88-T118 WeakPolarHBondContact CB-OG1 3.1Å; L88-T118 PolarHBondContact N-O 2.96Å; L88-T118 PolarHBondContact O-N 3.23Å |
| 119 | Y | 91.9 | Very high | 80.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.8 | 175.5 | 71.5 | -88.8 | 0 | 0 | 0 | 112.1 | V41 E42 R43 Y44 L50 P51 L52 L53 I77 L85 F86 | V41-Y119 HydrophobicContact CG1-CD1 3.84Å; V41-Y119 HydrophobicContact CG1-CE1 4.43Å; E42-Y119 VanDerWaalsContact C-CE1 3.48Å; E42-Y119 WeakPolarHBondContact O-CD1 3.06Å; E42-Y119 PolarHBondContact O-N 2.66Å; R43-Y119 VanDerWaalsContact CA-CE1 3.48Å; R43-Y119 HydrophobicContact CB-CE1 3.85Å; R43-Y119 HydrophobicContact CB-CE2 4.08Å; R43-Y119 HydrophobicContact CG-CD2 4.36Å; R43-Y119 HydrophobicContact CG-CE1 4.39Å; R43-Y119 HydrophobicContact CG-CE2 3.73Å; R43-Y119 VanDerWaalsContact N-CE1 3.34Å; Y44-Y119 WeakPolarHBondContact CB-O 3.41Å; Y44-Y119 PolarHBondContact N-O 3Å; L50-Y119 HydrophobicContact CB-CE2 4.17Å; L50-Y119 HydrophobicContact CD1-CD2 4.02Å; L50-Y119 HydrophobicContact CD1-CE2 4.4Å; P51-Y119 PolarHBondContact O-OH 3.18Å; L52-Y119 WeakPolarHBondContact CA-OH 3.25Å; L53-Y119 HydrophobicContact CD1-CD1 4.13Å; L53-Y119 HydrophobicContact CD1-CE1 3.61Å; L53-Y119 HydrophobicContact CG-CE1 3.91Å; L53-Y119 PolarHBondContact N-OH 2.62Å; I77-Y119 HydrophobicContact CD1-CD1 4.26Å; I77-Y119 HydrophobicContact CD1-CD2 3.55Å; I77-Y119 HydrophobicContact CD1-CE1 4.32Å; I77-Y119 HydrophobicContact CD1-CE2 3.61Å; I77-Y119 HydrophobicContact CD1-CG 3.87Å; I77-Y119 HydrophobicContact CG1-CE2 4.38Å; L85-Y119 HydrophobicContact CD1-CD2 3.7Å; L85-Y119 HydrophobicContact CD1-CG 4.14Å; F86-Y119 WeakPolarHBondContact O-CA 3.43Å |
| 120 | A | 90.3 | Very high | 77.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y44 F86 L88 A124 | Y44-A120 HydrophobicContact CD1-CB 4.34Å; Y44-A120 HydrophobicContact CG-CB 4.42Å; F86-A120 PolarHBondContact N-O 2.84Å; F86-A120 PolarHBondContact O-N 3Å; L88-A120 HydrophobicContact CD1-CB 4.39Å; A120-A124 HydrophobicContact CB-CB 4.21Å |
| 121 | S | 87.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 163.5 | 166.6 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | E47 T84 E123 A124 F125 | E47-S121 WeakPolarHBondContact OE2-CA 3.46Å; E47-S121 WeakPolarHBondContact OE2-CB 3.2Å; E47-S121 PolarHBondContact OE2-N 2.89Å; E47-S121 PolarHBondContact OE2-OG 2.71Å; T84-S121 WeakPolarHBondContact O-CA 3.46Å; S121-E123 PolarHBondContact O-N 2.91Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 3.4Å; S121-F125 PolarHBondContact O-N 3.14Å; S121-F125 VanDerWaalsContact O-N 3.17Å |
| 122 | Q | 78.9 | Confident | 73.3 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.6 | -40.2 | 173.6 | -163.1 | 170.8 | -69.3 | 0 | 0 | 112.2 | F86 A124 F125 G126 | F86-Q122 HydrophobicContact CD2-CB 4.38Å; F86-Q122 HydrophobicContact CE2-CB 3.61Å; F86-Q122 HydrophobicContact CE2-CG 3.89Å; F86-Q122 HydrophobicContact CZ-CB 4.4Å; F86-Q122 HydrophobicContact CZ-CG 4.2Å; Q122-A124 PolarHBondContact O-N 3.35Å; Q122-F125 WeakPolarHBondContact O-CB 3.26Å; Q122-F125 PolarHBondContact O-N 2.88Å; Q122-G126 PolarHBondContact O-N 2.69Å |
| 123 | E | 70.9 | Confident | 70.7 | Confident | 153 Ų | 153 | 70.1 Ų | 70.1 | 72% | 0.715 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68 | -37.6 | -175.6 | -62.1 | 169.9 | 102.9 | 0 | 0 | 111.3 | S121 F125 G126 | S121-E123 PolarHBondContact O-N 2.91Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-G126 PolarHBondContact O-N 3.02Å |
| 124 | A | 70.2 | Confident | 68.5 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74.2 | -22.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E47 A120 S121 Q122 | E47-A124 HydrophobicContact CB-CB 4.22Å; E47-A124 WeakPolarHBondContact OE2-CB 3.47Å; A120-A124 HydrophobicContact CB-CB 4.21Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 3.4Å; Q122-A124 PolarHBondContact O-N 3.35Å |
| 125 | F | 64.1 | Low | 66.8 | Low | 98 Ų | 98 | 79.1 Ų | 79.1 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.1 | -16.3 | 174.1 | -164.3 | -101.6 | 0 | 0 | 0 | 112.4 | L88 S121 Q122 E123 | L88-F125 HydrophobicContact CD2-CE2 4.18Å; L88-F125 HydrophobicContact CG-CE2 4.37Å; S121-F125 PolarHBondContact O-N 3.14Å; S121-F125 VanDerWaalsContact O-N 3.17Å; Q122-F125 WeakPolarHBondContact O-CB 3.26Å; Q122-F125 PolarHBondContact O-N 2.88Å; E123-F125 VanDerWaalsContact C-N 3.31Å |
| 126 | G | 55.5 | Low | 64.5 | Low | 38 Ų | 38 | 91.5 Ų | 91.5 | 39% | 0.392 | 51% | 0.507 | S | S | . | . | trans | 91.1 | 135.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q122 E123 | Q122-G126 PolarHBondContact O-N 2.69Å; E123-G126 PolarHBondContact O-N 3.02Å | ||
| 127 | A | 39.4 | Very low | 63 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | trans | -44 | 144.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R129 | A127-R129 PolarHBondContact O-N 3.31Š| ||
| 128 | P | 40.4 | Very low | 61.3 | Low | 107 Ų | 107 | 99.7 Ų | 99.7 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | trans | -48.5 | 127.6 | 164.1 | 24.6 | -32.1 | 0 | 0 | 0 | 105.5 | S130 | P128-S130 PolarHBondContact O-N 3.39Š| ||
| 129 | R | 43 | Very low | 59.5 | Low | 245 Ų | 245 | 103.7 Ų | 103.7 | 93% | 0.925 | 58% | 0.576 | S | S | * | * | trans | -55.5 | 100 | 166.5 | -74 | -177.6 | 171.7 | 166.4 | -3.7 | 104.2 | A127 A131 | A127-R129 PolarHBondContact O-N 3.31Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.09Å | ||
| 130 | S | 39.9 | Very low | 57.6 | Low | 103 Ų | 103 | 109.8 Ų | 109.8 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | trans | -54.2 | 110.1 | 169 | -60.7 | 0 | 0 | 0 | 0 | 103.8 | P128 D132 | P128-S130 PolarHBondContact O-N 3.39Å; S130-D132 PolarHBondContact O-N 2.82Å | ||
| 131 | A | 49.2 | Very low | 55.5 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 88% | 0.884 | 65% | 0.647 | S | S | * | * | trans | -68.8 | 75.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | R129 | R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.09Å | ||
| 132 | D | 47 | Very low | 53.4 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | trans | -146.3 | 72 | 168.3 | -151.8 | -97.7 | 0 | 0 | 0 | 106.7 | S130 P134 | S130-D132 PolarHBondContact O-N 2.82Å; D132-P134 WeakPolarHBondContact O-CD 3.38Å | ||
| 133 | E | 41.6 | Very low | 51.6 | Low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | trans | -89.1 | 105.5 | 152.8 | -175.7 | 176.9 | 96.5 | 0 | 0 | 105.2 | ||||
| 134 | P | 51.1 | Low | 50.1 | Low | 85 Ų | 85 | 122.3 Ų | 122.3 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -72.4 | 137.7 | 169.9 | 28.5 | -30.5 | 0 | 0 | 0 | 108.5 | D132 H136 | D132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-H136 PolarHBondContact O-N 3.39Å | ||
| 135 | P | 61.4 | Low | 48.5 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -73.5 | 123.7 | 173.2 | 30.2 | -30.5 | 0 | 0 | 0 | 108.9 | ||||
| 136 | H | 48.9 | Very low | 47 | Very low | 261 Ų | 261 | 133.4 Ų | 133.4 | 100% | 1.208 | 77% | 0.765 | S | S | * | * | trans | -143.7 | 0 | 154.6 | -93.5 | -63.3 | 0 | 0 | 0 | 110.6 | P134 | P134-H136 PolarHBondContact O-N 3.39Š|
Retrieved 136 of 136 residues in 80.8 ms
(Link to these results)