| 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 | 60.5 | Low | 75.5 | Confident | 189 Ų | 189 | 122.4 Ų | 122.4 | 93% | 0.931 | 61% | 0.61 | S | S | * | * | 0 | -57.9 | 0 | -83.8 | -66.9 | -85.9 | 0 | 0 | 113.1 | Q3 F4 V5 | M1-Q3 PolarHBondContact O-N 2.9Å; M1-F4 PolarHBondContact O-N 3.21Å; M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.15Å | |||
| 2 | A | 69.3 | Low | 76.4 | Confident | 75 Ų | 75 | 118.2 Ų | 118.2 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.5 | -39.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R6 | A2-R6 WeakPolarHBondContact O-CB 3.4Å; A2-R6 WeakPolarHBondContact O-CG 3.47Å; A2-R6 PolarHBondContact O-N 3.3Å |
| 3 | Q | 72.4 | Confident | 77.3 | Confident | 156 Ų | 156 | 114.3 Ų | 114.3 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.1 | -34.4 | 177.2 | -71.7 | -172.9 | -36.2 | 0 | 0 | 113.2 | M1 R6 N7 | M1-Q3 PolarHBondContact O-N 2.9Å; Q3-R6 PolarHBondContact O-N 2.79Å; Q3-N7 WeakPolarHBondContact O-CB 3.45Å; Q3-N7 PolarHBondContact O-N 3.42Å; Q3-N7 PolarHBondContact O-ND2 3.4Å; Q3-N7 PolarHBondContact O-OD1 3.19Å |
| 4 | F | 75.3 | Confident | 78.1 | Confident | 133 Ų | 133 | 110.7 Ų | 110.7 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -42.9 | 175.2 | -178.6 | -104.3 | 0 | 0 | 0 | 111.4 | M1 N7 L8 | M1-F4 PolarHBondContact O-N 3.21Å; F4-N7 PolarHBondContact O-N 3.12Å; F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CE1-CD1 3.42Å; F4-L8 VanDerWaalsContact CE1-CD1 3.42Å; F4-L8 HydrophobicContact CE1-CG 4.25Å; F4-L8 HydrophobicContact CZ-CD1 3.89Å; F4-L8 HydrophobicContact CZ-CG 4.34Å; F4-L8 WeakPolarHBondContact O-CG 3.48Å; F4-L8 PolarHBondContact O-N 2.94Å |
| 5 | V | 76.3 | Confident | 78.9 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -42.3 | 173.7 | 175 | 0 | 0 | 0 | 0 | 111.2 | M1 L8 V9 | M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.15Å; V5-L8 PolarHBondContact O-N 3.11Å; V5-V9 HydrophobicContact CG1-CG2 4.44Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.1Å |
| 6 | R | 74.8 | Confident | 79.7 | Confident | 174 Ų | 174 | 109.1 Ų | 109.1 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.9 | -48.3 | 174.1 | -80.3 | -179.6 | 171.4 | -177.3 | -2.8 | 112.4 | A2 Q3 L8 V9 E10 | A2-R6 WeakPolarHBondContact O-CB 3.4Å; A2-R6 WeakPolarHBondContact O-CG 3.47Å; A2-R6 PolarHBondContact O-N 3.3Å; Q3-R6 PolarHBondContact O-N 2.79Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.32Å; R6-V9 PolarHBondContact O-N 3.28Å; R6-E10 WeakPolarHBondContact O-CG 3.34Å; R6-E10 PolarHBondContact O-N 3.32Å |
| 7 | N | 78.8 | Confident | 80.3 | Confident | 86 Ų | 86 | 108.7 Ų | 108.7 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.9 | -32.7 | 177.9 | -69.2 | -14.2 | 0 | 0 | 0 | 112.8 | Q3 F4 K11 | Q3-N7 WeakPolarHBondContact O-CB 3.45Å; Q3-N7 PolarHBondContact O-N 3.42Å; Q3-N7 PolarHBondContact O-ND2 3.4Å; Q3-N7 PolarHBondContact O-OD1 3.19Å; F4-N7 PolarHBondContact O-N 3.12Å; N7-K11 WeakPolarHBondContact O-CB 3.28Å; N7-K11 VanDerWaalsContact O-CG 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.27Å; N7-K11 PolarHBondContact O-N 3.3Å |
| 8 | L | 77.5 | Confident | 81 | Confident | 86 Ų | 86 | 105.6 Ų | 105.6 | 45% | 0.45 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69 | -48 | 173.5 | -77.3 | 174.4 | 0 | 0 | 0 | 111.2 | F4 V5 R6 E10 K11 T12 | F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CE1-CD1 3.42Å; F4-L8 VanDerWaalsContact CE1-CD1 3.42Å; F4-L8 HydrophobicContact CE1-CG 4.25Å; F4-L8 HydrophobicContact CZ-CD1 3.89Å; F4-L8 HydrophobicContact CZ-CG 4.34Å; F4-L8 WeakPolarHBondContact O-CG 3.48Å; F4-L8 PolarHBondContact O-N 2.94Å; V5-L8 PolarHBondContact O-N 3.11Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.32Å; L8-E10 VanDerWaalsContact C-N 3.27Å; L8-E10 PolarHBondContact O-N 2.93Å; L8-K11 CarbonylContact O-C 3.58Å; L8-K11 PolarHBondContact O-N 3.36Å; L8-T12 PolarHBondContact O-N 3.47Å; L8-T12 PolarHBondContact O-OG1 3.18Å |
| 9 | V | 80 | Confident | 81.6 | Confident | 95 Ų | 95 | 103 Ų | 103 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.2 | -39.2 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | V5 R6 K11 T12 P13 | V5-V9 HydrophobicContact CG1-CG2 4.44Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.1Å; R6-V9 PolarHBondContact O-N 3.28Å; V9-K11 VanDerWaalsContact C-N 3.33Å; V9-K11 PolarHBondContact O-N 3.02Å; V9-T12 WeakPolarHBondContact O-CB 3.43Å; V9-T12 PolarHBondContact O-N 3.1Å; V9-P13 WeakPolarHBondContact O-CD 3.39Å |
| 10 | E | 82.3 | Confident | 82.1 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.3 | -30.4 | 176 | -73.5 | 175.3 | -178.9 | 0 | 0 | 113.2 | R6 L8 P13 | R6-E10 WeakPolarHBondContact O-CG 3.34Å; R6-E10 PolarHBondContact O-N 3.32Å; L8-E10 VanDerWaalsContact C-N 3.27Å; L8-E10 PolarHBondContact O-N 2.93Å; E10-P13 WeakPolarHBondContact O-CD 3.48Å; E10-P13 WeakPolarHBondContact O-CG 3.47Å |
| 11 | K | 83.4 | Confident | 82.7 | Confident | 142 Ų | 142 | 101.5 Ų | 101.5 | 62% | 0.617 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -88.7 | -18.9 | 178.2 | -70.3 | -176.8 | -179.4 | -165.2 | 0 | 113.9 | N7 L8 V9 A14 L15 | N7-K11 WeakPolarHBondContact O-CB 3.28Å; N7-K11 VanDerWaalsContact O-CG 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.27Å; N7-K11 PolarHBondContact O-N 3.3Å; L8-K11 CarbonylContact O-C 3.58Å; L8-K11 PolarHBondContact O-N 3.36Å; V9-K11 VanDerWaalsContact C-N 3.33Å; V9-K11 PolarHBondContact O-N 3.02Å; K11-A14 PolarHBondContact O-N 3.11Å; K11-L15 PolarHBondContact O-N 3.21Å |
| 12 | T | 86 | Confident | 84.2 | Confident | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -50.6 | -50.3 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | L8 V9 A14 L15 V16 | L8-T12 PolarHBondContact O-N 3.47Å; L8-T12 PolarHBondContact O-OG1 3.18Å; V9-T12 WeakPolarHBondContact O-CB 3.43Å; V9-T12 PolarHBondContact O-N 3.1Å; T12-A14 VanDerWaalsContact C-N 3.29Å; T12-A14 PolarHBondContact O-N 2.86Å; T12-L15 PolarHBondContact O-N 2.94Å; T12-V16 HydrophobicContact CG2-CG2 4.27Å; T12-V16 WeakPolarHBondContact O-CG2 3.35Å; T12-V16 PolarHBondContact O-N 3.4Å |
| 13 | P | 88 | Confident | 85.4 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | -179.7 | 22.5 | -32.9 | 0 | 0 | 0 | 112.6 | V9 E10 N17 | V9-P13 WeakPolarHBondContact O-CD 3.39Å; E10-P13 WeakPolarHBondContact O-CD 3.48Å; E10-P13 WeakPolarHBondContact O-CG 3.47Å; P13-N17 WeakPolarHBondContact O-CB 3.46Å; P13-N17 PolarHBondContact O-N 3.44Å; P13-N17 PolarHBondContact O-ND2 3.37Å; P13-N17 VanDerWaalsContact O-ND2 3.13Å |
| 14 | A | 89.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K11 T12 N17 A18 | K11-A14 PolarHBondContact O-N 3.11Å; T12-A14 VanDerWaalsContact C-N 3.29Å; T12-A14 PolarHBondContact O-N 2.86Å; A14-N17 PolarHBondContact O-N 2.9Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.04Å |
| 15 | L | 89.1 | Confident | 87.4 | Confident | 119 Ų | 119 | 94.4 Ų | 94.4 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 175.3 | -82.2 | 156.3 | 0 | 0 | 0 | 112.3 | K11 T12 A18 A19 | K11-L15 PolarHBondContact O-N 3.21Å; T12-L15 PolarHBondContact O-N 2.94Å; L15-A18 PolarHBondContact O-N 2.98Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.38Å |
| 16 | V | 91.4 | Very high | 88.2 | Confident | 77 Ų | 77 | 97 Ų | 97 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | T12 A18 A19 V20 | T12-V16 HydrophobicContact CG2-CG2 4.27Å; T12-V16 WeakPolarHBondContact O-CG2 3.35Å; T12-V16 PolarHBondContact O-N 3.4Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.23Å; V16-A19 PolarHBondContact O-N 3.47Å; V16-A19 VanDerWaalsContact O-N 3.16Å; V16-V20 HydrophobicContact CG1-CG2 4.38Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.39Å |
| 17 | N | 91.1 | Very high | 89.1 | Confident | 102 Ų | 102 | 93.8 Ų | 93.8 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 177 | -74.7 | -28.8 | 0 | 0 | 0 | 111.8 | P13 A14 V20 T21 | P13-N17 WeakPolarHBondContact O-CB 3.46Å; P13-N17 PolarHBondContact O-N 3.44Å; P13-N17 PolarHBondContact O-ND2 3.37Å; P13-N17 VanDerWaalsContact O-ND2 3.13Å; A14-N17 PolarHBondContact O-N 2.9Å; N17-V20 PolarHBondContact O-N 3.16Å; N17-T21 VanDerWaalsContact O-CG2 3.31Å; N17-T21 WeakPolarHBondContact O-CG2 3.49Å; N17-T21 PolarHBondContact O-N 2.95Å; N17-T21 PolarHBondContact O-OG1 3.45Å; N17-T21 VanDerWaalsContact O-OG1 3.1Å |
| 18 | A | 91.8 | Very high | 89.9 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A14 L15 V16 T21 Y22 | A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.04Å; L15-A18 PolarHBondContact O-N 2.98Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.23Å; A18-T21 WeakPolarHBondContact CA-OG1 3.3Å; A18-T21 PolarHBondContact O-OG1 3.49Å; A18-Y22 VanDerWaalsContact O-CB 3.27Å; A18-Y22 WeakPolarHBondContact O-CB 3.45Å; A18-Y22 PolarHBondContact O-N 2.94Å |
| 19 | A | 92.2 | Very high | 90.6 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L15 V16 Y22 S23 | L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.38Å; V16-A19 PolarHBondContact O-N 3.47Å; V16-A19 VanDerWaalsContact O-N 3.16Å; A19-Y22 PolarHBondContact O-N 3.39Å; A19-S23 VanDerWaalsContact O-CB 3.27Å; A19-S23 WeakPolarHBondContact O-CB 3.35Å; A19-S23 PolarHBondContact O-N 2.8Å; A19-S23 PolarHBondContact O-OG 3.41Å |
| 20 | V | 92.3 | Very high | 91.2 | Very high | 73 Ų | 73 | 93.7 Ų | 93.7 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V16 N17 Y22 S23 K24 | V16-V20 HydrophobicContact CG1-CG2 4.38Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.39Å; N17-V20 PolarHBondContact O-N 3.16Å; V20-Y22 VanDerWaalsContact C-N 3.26Å; V20-Y22 PolarHBondContact O-N 2.94Å; V20-S23 WeakPolarHBondContact CA-OG 3.41Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 PolarHBondContact O-OG 3.01Å; V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 3.25Å |
| 21 | T | 93.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -34.4 | 178.5 | 54.8 | 0 | 0 | 0 | 0 | 112 | N17 A18 P25 | N17-T21 VanDerWaalsContact O-CG2 3.31Å; N17-T21 WeakPolarHBondContact O-CG2 3.49Å; N17-T21 PolarHBondContact O-N 2.95Å; N17-T21 PolarHBondContact O-OG1 3.45Å; N17-T21 VanDerWaalsContact O-OG1 3.1Å; A18-T21 WeakPolarHBondContact CA-OG1 3.3Å; A18-T21 PolarHBondContact O-OG1 3.49Å; T21-P25 WeakPolarHBondContact O-CD 3.49Å |
| 22 | Y | 93.1 | Very high | 92.2 | Very high | 141 Ų | 141 | 96.4 Ų | 96.4 | 55% | 0.553 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.5 | -44 | 175.5 | -178.8 | -90.3 | 0 | 0 | 0 | 113.3 | A18 A19 V20 R26 | A18-Y22 VanDerWaalsContact O-CB 3.27Å; A18-Y22 WeakPolarHBondContact O-CB 3.45Å; A18-Y22 PolarHBondContact O-N 2.94Å; A19-Y22 PolarHBondContact O-N 3.39Å; V20-Y22 VanDerWaalsContact C-N 3.26Å; V20-Y22 PolarHBondContact O-N 2.94Å; Y22-R26 VanDerWaalsContact CE1-CZ 3.48Å; Y22-R26 VanDerWaalsContact CZ-NH1 3.29Å; Y22-R26 VanDerWaalsContact CZ-NH2 3.26Å; Y22-R26 PolarHBondContact O-NH1 3.13Å; Y22-R26 VanDerWaalsContact OH-CZ 3.3Å; Y22-R26 PolarHBondContact OH-NE 3.19Å; Y22-R26 PolarHBondContact OH-NH2 3.32Å |
| 23 | S | 94.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 98.6 Ų | 98.6 | 31% | 0.308 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.2 | -36.5 | -173.8 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | A19 V20 R26 L27 | A19-S23 VanDerWaalsContact O-CB 3.27Å; A19-S23 WeakPolarHBondContact O-CB 3.35Å; A19-S23 PolarHBondContact O-N 2.8Å; A19-S23 PolarHBondContact O-OG 3.41Å; V20-S23 WeakPolarHBondContact CA-OG 3.41Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 PolarHBondContact O-OG 3.01Å; S23-R26 WeakPolarHBondContact O-CB 3.46Å; S23-R26 PolarHBondContact O-N 3.46Å; S23-R26 VanDerWaalsContact O-N 3.1Å; S23-L27 WeakPolarHBondContact O-CG 3.37Å; S23-L27 PolarHBondContact O-N 3.5Å |
| 24 | K | 94.1 | Very high | 92.6 | Very high | 148 Ų | 148 | 96.1 Ų | 96.1 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52.6 | -51.3 | -176 | -171.9 | 174.2 | -174.5 | 177.5 | 0 | 114.5 | V20 R26 L27 A28 | V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 3.25Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.23Å; K24-L27 PolarHBondContact O-N 3.38Å; K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 2.92Å |
| 25 | P | 95.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 100.1 Ų | 100.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 179 | 25.2 | -33.8 | 0 | 0 | 0 | 112.6 | T21 A28 T29 | T21-P25 WeakPolarHBondContact O-CD 3.49Å; P25-A28 WeakPolarHBondContact O-CB 3.47Å; P25-A28 PolarHBondContact O-N 3.47Å; P25-T29 PolarHBondContact O-N 3.44Å; P25-T29 PolarHBondContact O-OG1 2.76Å |
| 26 | R | 93.8 | Very high | 92.7 | Very high | 128 Ų | 128 | 99 Ų | 99 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 178.6 | -68.3 | 175.4 | 170.5 | 74.8 | 5.5 | 111.9 | Y22 S23 K24 A28 T29 F30 | Y22-R26 VanDerWaalsContact CE1-CZ 3.48Å; Y22-R26 VanDerWaalsContact CZ-NH1 3.29Å; Y22-R26 VanDerWaalsContact CZ-NH2 3.26Å; Y22-R26 PolarHBondContact O-NH1 3.13Å; Y22-R26 VanDerWaalsContact OH-CZ 3.3Å; Y22-R26 PolarHBondContact OH-NE 3.19Å; Y22-R26 PolarHBondContact OH-NH2 3.32Å; S23-R26 WeakPolarHBondContact O-CB 3.46Å; S23-R26 PolarHBondContact O-N 3.46Å; S23-R26 VanDerWaalsContact O-N 3.1Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.23Å; R26-A28 VanDerWaalsContact C-N 3.29Å; R26-A28 PolarHBondContact O-N 3.17Å; R26-T29 PolarHBondContact O-N 3.49Å; R26-F30 PolarHBondContact O-N 3.46Å |
| 27 | L | 93.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -34.4 | 174.3 | -69.1 | 176.7 | 0 | 0 | 0 | 111.5 | S23 K24 F30 W31 | S23-L27 WeakPolarHBondContact O-CG 3.37Å; S23-L27 PolarHBondContact O-N 3.5Å; K24-L27 PolarHBondContact O-N 3.38Å; L27-F30 PolarHBondContact O-N 3.11Å; L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.46Å; L27-W31 PolarHBondContact O-N 3.46Å |
| 28 | A | 94 | Very high | 92.5 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K24 P25 R26 W31 Y32 | K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 2.92Å; P25-A28 WeakPolarHBondContact O-CB 3.47Å; P25-A28 PolarHBondContact O-N 3.47Å; R26-A28 VanDerWaalsContact C-N 3.29Å; R26-A28 PolarHBondContact O-N 3.17Å; A28-W31 PolarHBondContact O-N 3.16Å; A28-Y32 PolarHBondContact O-N 2.94Å |
| 29 | T | 93.6 | Very high | 92.5 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | P25 R26 W31 Y32 Y33 | P25-T29 PolarHBondContact O-N 3.44Å; P25-T29 PolarHBondContact O-OG1 2.76Å; R26-T29 PolarHBondContact O-N 3.49Å; T29-W31 VanDerWaalsContact C-N 3.34Å; T29-W31 PolarHBondContact O-N 3.34Å; T29-Y32 WeakPolarHBondContact O-CB 3.46Å; T29-Y32 PolarHBondContact O-N 3.4Å; T29-Y33 HydrophobicContact CG2-CD2 4.08Å; T29-Y33 HydrophobicContact CG2-CE2 3.73Å; T29-Y33 VanDerWaalsContact O-CD2 3.25Å; T29-Y33 WeakPolarHBondContact O-CD2 3.46Å; T29-Y33 PolarHBondContact O-N 3.49Å |
| 30 | F | 92.8 | Very high | 92.3 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 54% | 0.544 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 174.9 | 171.7 | -100.9 | 0 | 0 | 0 | 111.5 | R26 L27 Y32 Y33 A34 | R26-F30 PolarHBondContact O-N 3.46Å; L27-F30 PolarHBondContact O-N 3.11Å; F30-Y32 VanDerWaalsContact C-N 3.31Å; F30-Y32 PolarHBondContact O-N 3.12Å; F30-Y33 PolarHBondContact O-N 3.32Å; F30-A34 HydrophobicContact CE1-CB 4.26Å; F30-A34 HydrophobicContact CZ-CB 4.26Å; F30-A34 VanDerWaalsContact O-CB 3.24Å; F30-A34 WeakPolarHBondContact O-CB 3.44Å; F30-A34 PolarHBondContact O-N 3.18Å |
| 31 | W | 93 | Very high | 92.2 | Very high | 178 Ų | 178 | 106.7 Ų | 106.7 | 67% | 0.674 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 179.9 | -172.9 | -103.5 | 0 | 0 | 0 | 112.8 | L27 A28 T29 K35 | L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.46Å; L27-W31 PolarHBondContact O-N 3.46Å; A28-W31 PolarHBondContact O-N 3.16Å; T29-W31 VanDerWaalsContact C-N 3.34Å; T29-W31 PolarHBondContact O-N 3.34Å; W31-K35 WeakPolarHBondContact O-CB 3.48Å; W31-K35 PolarHBondContact O-N 3.27Å |
| 32 | Y | 93.1 | Very high | 92 | Very high | 158 Ų | 158 | 105.3 Ų | 105.3 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -50.3 | 176.4 | 174.5 | -98.3 | 0 | 0 | 0 | 111.7 | A28 T29 F30 | A28-Y32 PolarHBondContact O-N 2.94Å; T29-Y32 WeakPolarHBondContact O-CB 3.46Å; T29-Y32 PolarHBondContact O-N 3.4Å; F30-Y32 VanDerWaalsContact C-N 3.31Å; F30-Y32 PolarHBondContact O-N 3.12Å |
| 33 | Y | 93 | Very high | 91.9 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.7 | -42 | 178.8 | -67.8 | -66.4 | 0 | 0 | 0 | 112.5 | T29 F30 K35 V36 E37 | T29-Y33 HydrophobicContact CG2-CD2 4.08Å; T29-Y33 HydrophobicContact CG2-CE2 3.73Å; T29-Y33 VanDerWaalsContact O-CD2 3.25Å; T29-Y33 WeakPolarHBondContact O-CD2 3.46Å; T29-Y33 PolarHBondContact O-N 3.49Å; F30-Y33 PolarHBondContact O-N 3.32Å; Y33-K35 PolarHBondContact O-N 3.1Å; Y33-K35 VanDerWaalsContact O-N 3.17Å; Y33-V36 WeakPolarHBondContact O-CG2 3.45Å; Y33-V36 PolarHBondContact O-N 3.02Å; Y33-E37 PolarHBondContact O-N 3.49Å |
| 34 | A | 90.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 105.1 Ų | 105.1 | 13% | 0.132 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -57.3 | -35.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F30 V36 L38 | F30-A34 HydrophobicContact CE1-CB 4.26Å; F30-A34 HydrophobicContact CZ-CB 4.26Å; F30-A34 VanDerWaalsContact O-CB 3.24Å; F30-A34 WeakPolarHBondContact O-CB 3.44Å; F30-A34 PolarHBondContact O-N 3.18Å; A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.89Å; A34-L38 HydrophobicContact CB-CD1 4.03Å; A34-L38 WeakPolarHBondContact O-CA 2.96Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 PolarHBondContact O-N 3.45Å |
| 35 | K | 89.6 | Confident | 91.6 | Very high | 147 Ų | 147 | 102.1 Ų | 102.1 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.9 | -26.7 | 178.7 | -172.2 | 176.2 | 178.2 | -175.6 | 0 | 113.7 | W31 Y33 | W31-K35 WeakPolarHBondContact O-CB 3.48Å; W31-K35 PolarHBondContact O-N 3.27Å; Y33-K35 PolarHBondContact O-N 3.1Å; Y33-K35 VanDerWaalsContact O-N 3.17Å |
| 36 | V | 89.8 | Confident | 91.5 | Very high | 96 Ų | 96 | 103.1 Ų | 103.1 | 58% | 0.582 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -103.9 | -33.1 | -177.3 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | Y33 A34 | Y33-V36 WeakPolarHBondContact O-CG2 3.45Å; Y33-V36 PolarHBondContact O-N 3.02Å; A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.89Å |
| 37 | E | 90.3 | Very high | 91.6 | Very high | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.673 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -99.2 | -31.9 | -174.7 | -74.3 | 170.1 | -166.5 | 0 | 0 | 113.5 | Y33 | Y33-E37 PolarHBondContact O-N 3.49Å |
| 38 | L | 89.3 | Confident | 91.5 | Very high | 94 Ų | 94 | 103.2 Ų | 103.2 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -104.9 | 12.5 | -175.7 | -59.8 | 176.6 | 0 | 0 | 0 | 112.9 | A34 W86 | A34-L38 HydrophobicContact CB-CD1 4.03Å; A34-L38 WeakPolarHBondContact O-CA 2.96Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 PolarHBondContact O-N 3.45Å; L38-W86 HydrophobicContact CD2-CZ2 4.17Å |
| 39 | V | 90.5 | Very high | 91.5 | Very high | 88 Ų | 88 | 103.3 Ų | 103.3 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -78 | 140.9 | 178.7 | 97.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 40 | P | 88.6 | Confident | 91.5 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 131.9 | 171.4 | -26.1 | 35 | 0 | 0 | 0 | 110.3 | ||
| 41 | P | 89.9 | Confident | 91.6 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 153.5 | -176.6 | 27 | -35.3 | 0 | 0 | 0 | 110.9 | ||
| 42 | T | 91.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 97.9 Ų | 97.9 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 149.5 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | A44 E45 | T42-A44 PolarHBondContact O-N 3.16Å; T42-E45 PolarHBondContact N-OE2 3.26Å; T42-E45 WeakPolarHBondContact O-CB 3.4Å; T42-E45 PolarHBondContact O-N 2.82Å; T42-E45 WeakPolarHBondContact OG1-CG 3.46Å; T42-E45 PolarHBondContact OG1-OE2 3.09Å |
| 43 | P | 90 | Very high | 91.5 | Very high | 107 Ų | 107 | 95.4 Ų | 95.4 | 70% | 0.695 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.3 | 179 | -28 | 35.6 | 0 | 0 | 0 | 114.2 | E45 I46 P47 | P43-E45 PolarHBondContact O-N 2.92Å; P43-I46 PolarHBondContact O-N 2.93Å; P43-P47 WeakPolarHBondContact O-CD 3.4Å |
| 44 | A | 91.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T42 P47 | T42-A44 PolarHBondContact O-N 3.16Å; A44-P47 WeakPolarHBondContact O-CD 3.43Å |
| 45 | E | 91.1 | Very high | 91.7 | Very high | 86 Ų | 86 | 102.5 Ų | 102.5 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | -21.2 | 179.4 | -69.5 | 163.2 | 153 | 0 | 0 | 112.3 | T42 P43 R48 A49 | T42-E45 PolarHBondContact N-OE2 3.26Å; T42-E45 WeakPolarHBondContact O-CB 3.4Å; T42-E45 PolarHBondContact O-N 2.82Å; T42-E45 WeakPolarHBondContact OG1-CG 3.46Å; T42-E45 PolarHBondContact OG1-OE2 3.09Å; P43-E45 PolarHBondContact O-N 2.92Å; E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 PolarHBondContact O-N 2.99Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-A49 PolarHBondContact O-N 3.09Å |
| 46 | I | 92.9 | Very high | 91.7 | Very high | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.8 | -47.3 | -179.3 | -58.4 | 174.3 | 0 | 0 | 0 | 112 | P43 R48 A49 I50 | P43-I46 PolarHBondContact O-N 2.93Å; I46-R48 VanDerWaalsContact C-N 3.25Å; I46-R48 PolarHBondContact O-N 3.48Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 2.95Å; I46-I50 HydrophobicContact CG2-CD1 3.94Å; I46-I50 HydrophobicContact CG2-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.48Å; I46-I50 PolarHBondContact O-N 3.39Å |
| 47 | P | 94.6 | Very high | 91.8 | Very high | 65 Ų | 65 | 99.6 Ų | 99.6 | 42% | 0.422 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 177 | -24.6 | 35.3 | 0 | 0 | 0 | 113.1 | P43 A44 I50 Q51 | P43-P47 WeakPolarHBondContact O-CD 3.4Å; A44-P47 WeakPolarHBondContact O-CD 3.43Å; P47-I50 PolarHBondContact O-N 3.05Å; P47-Q51 VanDerWaalsContact O-CG 3.27Å; P47-Q51 WeakPolarHBondContact O-CG 3.27Å; P47-Q51 PolarHBondContact O-N 3.3Å |
| 48 | R | 93.8 | Very high | 91.9 | Very high | 172 Ų | 172 | 96.9 Ų | 96.9 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.1 | -39.7 | 177.8 | -61.3 | -180 | -178.9 | 165.7 | 0.3 | 111.3 | E45 I46 Q51 S52 | E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 PolarHBondContact O-N 2.99Å; E45-R48 VanDerWaalsContact O-N 3.08Å; I46-R48 VanDerWaalsContact C-N 3.25Å; I46-R48 PolarHBondContact O-N 3.48Å; R48-Q51 PolarHBondContact O-N 3.1Å; R48-S52 PolarHBondContact O-N 3.11Å; R48-S52 PolarHBondContact O-OG 3.47Å |
| 49 | A | 92.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 94.5 Ų | 94.5 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E45 I46 Q51 S52 L53 | E45-A49 PolarHBondContact O-N 3.09Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 2.95Å; A49-Q51 VanDerWaalsContact C-N 3.35Å; A49-Q51 PolarHBondContact O-N 3.32Å; A49-S52 WeakPolarHBondContact O-CB 3.43Å; A49-S52 PolarHBondContact O-N 3.4Å; A49-S52 VanDerWaalsContact O-N 3.16Å; A49-L53 PolarHBondContact O-N 3.47Å |
| 50 | I | 93.8 | Very high | 91.7 | Very high | 87 Ų | 87 | 92.9 Ų | 92.9 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.3 | -66.2 | 167.9 | 0 | 0 | 0 | 111.2 | I46 P47 S52 L53 K54 | I46-I50 HydrophobicContact CG2-CD1 3.94Å; I46-I50 HydrophobicContact CG2-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.48Å; I46-I50 PolarHBondContact O-N 3.39Å; P47-I50 PolarHBondContact O-N 3.05Å; I50-S52 VanDerWaalsContact C-N 3.32Å; I50-S52 PolarHBondContact O-N 3.1Å; I50-L53 PolarHBondContact O-N 3.16Å; I50-K54 WeakPolarHBondContact O-CG 3.41Å; I50-K54 PolarHBondContact O-N 3.46Å |
| 51 | Q | 94.9 | Very high | 91.8 | Very high | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.2 | -73.6 | 174.1 | 22.4 | 0 | 0 | 112.1 | P47 R48 A49 K54 K55 | P47-Q51 VanDerWaalsContact O-CG 3.27Å; P47-Q51 WeakPolarHBondContact O-CG 3.27Å; P47-Q51 PolarHBondContact O-N 3.3Å; R48-Q51 PolarHBondContact O-N 3.1Å; A49-Q51 VanDerWaalsContact C-N 3.35Å; A49-Q51 PolarHBondContact O-N 3.32Å; Q51-K54 PolarHBondContact O-N 2.97Å; Q51-K55 PolarHBondContact O-N 3.38Å; Q51-K55 VanDerWaalsContact O-N 3.16Å |
| 52 | S | 92.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | R48 A49 I50 K54 K55 I56 | R48-S52 PolarHBondContact O-N 3.11Å; R48-S52 PolarHBondContact O-OG 3.47Å; A49-S52 WeakPolarHBondContact O-CB 3.43Å; A49-S52 PolarHBondContact O-N 3.4Å; A49-S52 VanDerWaalsContact O-N 3.16Å; I50-S52 VanDerWaalsContact C-N 3.32Å; I50-S52 PolarHBondContact O-N 3.1Å; S52-K54 PolarHBondContact O-N 2.94Å; S52-K55 WeakPolarHBondContact O-CB 3.38Å; S52-K55 PolarHBondContact O-N 3.34Å; S52-I56 WeakPolarHBondContact O-CG1 3.33Å; S52-I56 PolarHBondContact O-N 2.99Å; S52-I56 VanDerWaalsContact O-N 3.12Å |
| 53 | L | 92.7 | Very high | 91.4 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 173.7 | -178.3 | 62.1 | 0 | 0 | 0 | 112 | A49 I50 K55 I56 V57 | A49-L53 PolarHBondContact O-N 3.47Å; I50-L53 PolarHBondContact O-N 3.16Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.42Å; L53-I56 WeakPolarHBondContact O-CB 3.49Å; L53-I56 PolarHBondContact O-N 2.88Å; L53-I56 VanDerWaalsContact O-N 3.11Å; L53-V57 WeakPolarHBondContact O-CG2 3.39Å; L53-V57 PolarHBondContact O-N 3.28Å |
| 54 | K | 94.3 | Very high | 91 | Very high | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.5 | -39.7 | 175.6 | -72.9 | -179.7 | -179.8 | -175.4 | 0 | 112.2 | I50 Q51 S52 V57 N58 | I50-K54 WeakPolarHBondContact O-CG 3.41Å; I50-K54 PolarHBondContact O-N 3.46Å; Q51-K54 PolarHBondContact O-N 2.97Å; S52-K54 PolarHBondContact O-N 2.94Å; K54-V57 PolarHBondContact O-N 2.82Å; K54-N58 WeakPolarHBondContact O-CB 3.49Å; K54-N58 PolarHBondContact O-N 3.4Å; K54-N58 PolarHBondContact O-OD1 3.3Å |
| 55 | K | 91.6 | Very high | 90.4 | Very high | 149 Ų | 149 | 91.5 Ų | 91.5 | 65% | 0.648 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 176 | -69.2 | 176.8 | -179.6 | 179 | 0 | 112.1 | Q51 S52 L53 N58 S59 | Q51-K55 PolarHBondContact O-N 3.38Å; Q51-K55 VanDerWaalsContact O-N 3.16Å; S52-K55 WeakPolarHBondContact O-CB 3.38Å; S52-K55 PolarHBondContact O-N 3.34Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.42Å; K55-N58 PolarHBondContact O-N 3.4Å; K55-S59 WeakPolarHBondContact O-CB 3.47Å; K55-S59 PolarHBondContact O-N 3.28Å |
| 56 | I | 90.6 | Very high | 90 | Very high | 115 Ų | 115 | 95.4 Ų | 95.4 | 59% | 0.59 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 175.9 | -64.9 | 168.8 | 0 | 0 | 0 | 110.3 | S52 L53 N58 S59 A60 | S52-I56 WeakPolarHBondContact O-CG1 3.33Å; S52-I56 PolarHBondContact O-N 2.99Å; S52-I56 VanDerWaalsContact O-N 3.12Å; L53-I56 WeakPolarHBondContact O-CB 3.49Å; L53-I56 PolarHBondContact O-N 2.88Å; L53-I56 VanDerWaalsContact O-N 3.11Å; I56-N58 PolarHBondContact O-N 3.29Å; I56-S59 WeakPolarHBondContact O-CB 3.41Å; I56-S59 PolarHBondContact O-N 3.03Å; I56-A60 PolarHBondContact O-N 3.11Å |
| 57 | V | 91.4 | Very high | 89.7 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | L53 K54 S59 A60 Q61 | L53-V57 WeakPolarHBondContact O-CG2 3.39Å; L53-V57 PolarHBondContact O-N 3.28Å; K54-V57 PolarHBondContact O-N 2.82Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 2.91Å; V57-A60 WeakPolarHBondContact O-CB 3.38Å; V57-A60 PolarHBondContact O-N 2.88Å; V57-Q61 WeakPolarHBondContact O-CG 3.21Å; V57-Q61 PolarHBondContact O-N 3.17Å |
| 58 | N | 91.8 | Very high | 89.4 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 177 | -68.6 | -5.8 | 0 | 0 | 0 | 111.4 | K54 K55 I56 A60 Q61 T62 | K54-N58 WeakPolarHBondContact O-CB 3.49Å; K54-N58 PolarHBondContact O-N 3.4Å; K54-N58 PolarHBondContact O-OD1 3.3Å; K55-N58 PolarHBondContact O-N 3.4Å; I56-N58 PolarHBondContact O-N 3.29Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.49Å; N58-Q61 PolarHBondContact O-N 2.99Å; N58-T62 WeakPolarHBondContact O-CG2 3.41Å; N58-T62 PolarHBondContact O-N 3.01Å; N58-T62 PolarHBondContact O-OG1 3.08Å; N58-T62 VanDerWaalsContact O-OG1 3.04Å |
| 59 | S | 88.1 | Confident | 89.4 | Confident | 44 Ų | 44 | 95.3 Ų | 95.3 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | K55 I56 V57 T62 G63 S64 | K55-S59 WeakPolarHBondContact O-CB 3.47Å; K55-S59 PolarHBondContact O-N 3.28Å; I56-S59 WeakPolarHBondContact O-CB 3.41Å; I56-S59 PolarHBondContact O-N 3.03Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 2.91Å; S59-T62 PolarHBondContact O-OG1 3.08Å; S59-G63 PolarHBondContact O-N 3.4Å; S59-S64 VanDerWaalsContact CA-OG 3.28Å; S59-S64 WeakPolarHBondContact CA-OG 3.24Å; S59-S64 WeakPolarHBondContact CB-OG 3.39Å; S59-S64 PolarHBondContact O-N 3.01Å; S59-S64 VanDerWaalsContact O-N 3.12Å; S59-S64 PolarHBondContact O-OG 3.03Å; S59-S64 VanDerWaalsContact O-OG 3.1Å; S59-S64 PolarHBondContact OG-OG 3.03Å |
| 60 | A | 88.8 | Confident | 89.4 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I56 V57 N58 G63 F65 | I56-A60 PolarHBondContact O-N 3.11Å; V57-A60 WeakPolarHBondContact O-CB 3.38Å; V57-A60 PolarHBondContact O-N 2.88Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.49Å; A60-G63 PolarHBondContact O-N 3.18Å; A60-F65 WeakPolarHBondContact O-CE1 3.46Å |
| 61 | Q | 89.6 | Confident | 89.4 | Confident | 150 Ų | 150 | 102.3 Ų | 102.3 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 179.3 | -72.4 | 178 | -22.6 | 0 | 0 | 113.1 | V57 N58 G63 | V57-Q61 WeakPolarHBondContact O-CG 3.21Å; V57-Q61 PolarHBondContact O-N 3.17Å; N58-Q61 PolarHBondContact O-N 2.99Å; Q61-G63 PolarHBondContact O-N 3.27Å |
| 62 | T | 89.8 | Confident | 89.2 | Confident | 105 Ų | 105 | 101 Ų | 101 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.5 | 178.5 | 57.9 | 0 | 0 | 0 | 0 | 113 | N58 S59 S64 | N58-T62 WeakPolarHBondContact O-CG2 3.41Å; N58-T62 PolarHBondContact O-N 3.01Å; N58-T62 PolarHBondContact O-OG1 3.08Å; N58-T62 VanDerWaalsContact O-OG1 3.04Å; S59-T62 PolarHBondContact O-OG1 3.08Å; T62-S64 VanDerWaalsContact C-N 3.27Å; T62-S64 PolarHBondContact O-N 2.94Å; T62-S64 PolarHBondContact OG1-OG 2.88Å; T62-S64 VanDerWaalsContact OG1-OG 3.11Å |
| 63 | G | 84.3 | Confident | 89.2 | Confident | 23 Ų | 23 | 100.4 Ų | 100.4 | 24% | 0.237 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 8.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S59 A60 Q61 F65 K66 | S59-G63 PolarHBondContact O-N 3.4Å; A60-G63 PolarHBondContact O-N 3.18Å; Q61-G63 PolarHBondContact O-N 3.27Å; G63-F65 PolarHBondContact O-N 3.36Å; G63-K66 WeakPolarHBondContact O-CB 3.38Å; G63-K66 PolarHBondContact O-N 2.82Å; G63-K66 VanDerWaalsContact O-N 3.15Å |
| 64 | S | 81.1 | Confident | 89.3 | Confident | 41 Ų | 41 | 99.6 Ų | 99.6 | 29% | 0.287 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -65.7 | -18.9 | -180 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | S59 T62 K66 Q67 | S59-S64 VanDerWaalsContact CA-OG 3.28Å; S59-S64 WeakPolarHBondContact CA-OG 3.24Å; S59-S64 WeakPolarHBondContact CB-OG 3.39Å; S59-S64 PolarHBondContact O-N 3.01Å; S59-S64 VanDerWaalsContact O-N 3.12Å; S59-S64 PolarHBondContact O-OG 3.03Å; S59-S64 VanDerWaalsContact O-OG 3.1Å; S59-S64 PolarHBondContact OG-OG 3.03Å; T62-S64 VanDerWaalsContact C-N 3.27Å; T62-S64 PolarHBondContact O-N 2.94Å; T62-S64 PolarHBondContact OG1-OG 2.88Å; T62-S64 VanDerWaalsContact OG1-OG 3.11Å; S64-K66 PolarHBondContact O-N 3.01Å; S64-K66 VanDerWaalsContact O-N 3.11Å; S64-Q67 WeakPolarHBondContact O-CB 3.46Å; S64-Q67 PolarHBondContact O-N 3.44Å |
| 65 | F | 79.4 | Confident | 89.4 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -58.1 | -22.5 | 172.3 | 72.8 | -89.3 | 0 | 0 | 0 | 113.6 | A60 G63 Q67 L68 | A60-F65 WeakPolarHBondContact O-CE1 3.46Å; G63-F65 PolarHBondContact O-N 3.36Å; F65-Q67 PolarHBondContact O-N 3.19Å; F65-L68 HydrophobicContact CB-CD1 4.32Å; F65-L68 WeakPolarHBondContact O-CB 3.5Å; F65-L68 WeakPolarHBondContact O-CG 3.46Å; F65-L68 PolarHBondContact O-N 3.05Å |
| 66 | K | 81.7 | Confident | 89.4 | Confident | 168 Ų | 168 | 95.7 Ų | 95.7 | 73% | 0.73 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -70.2 | -14.5 | 176.4 | -63.6 | -178.2 | 180 | -179.9 | 0 | 113.5 | G63 S64 L68 | G63-K66 WeakPolarHBondContact O-CB 3.38Å; G63-K66 PolarHBondContact O-N 2.82Å; G63-K66 VanDerWaalsContact O-N 3.15Å; S64-K66 PolarHBondContact O-N 3.01Å; S64-K66 VanDerWaalsContact O-N 3.11Å; K66-L68 VanDerWaalsContact C-N 3.35Å |
| 67 | Q | 87.6 | Confident | 89.6 | Confident | 168 Ų | 168 | 91.8 Ų | 91.8 | 79% | 0.785 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -89.8 | -3.2 | 177.6 | -59.9 | 176.4 | -2.8 | 0 | 0 | 112.5 | S64 F65 | S64-Q67 WeakPolarHBondContact O-CB 3.46Å; S64-Q67 PolarHBondContact O-N 3.44Å; F65-Q67 PolarHBondContact O-N 3.19Å |
| 68 | L | 87.9 | Confident | 89.9 | Confident | 80 Ų | 80 | 92.9 Ų | 92.9 | 42% | 0.419 | 51% | 0.513 | S | S | . | . | trans | -68.8 | 138.8 | 177.4 | -65.5 | 174.2 | 0 | 0 | 0 | 110.7 | F65 K66 | F65-L68 HydrophobicContact CB-CD1 4.32Å; F65-L68 WeakPolarHBondContact O-CB 3.5Å; F65-L68 WeakPolarHBondContact O-CG 3.46Å; F65-L68 PolarHBondContact O-N 3.05Å; K66-L68 VanDerWaalsContact C-N 3.35Å | ||
| 69 | T | 92.3 | Very high | 90.1 | Very high | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | trans | -70.9 | 154.9 | 171 | 66 | 0 | 0 | 0 | 0 | 110.3 | K71 E72 A73 | T69-K71 PolarHBondContact O-N 2.98Å; T69-E72 WeakPolarHBondContact CB-OE2 3.27Å; T69-E72 PolarHBondContact N-OE2 3.17Å; T69-E72 PolarHBondContact O-N 3.34Å; T69-E72 VanDerWaalsContact O-N 3.1Å; T69-E72 VanDerWaalsContact OG1-CD 3.25Å; T69-E72 VanDerWaalsContact OG1-CG 3.3Å; T69-E72 WeakPolarHBondContact OG1-CG 3.48Å; T69-E72 PolarHBondContact OG1-N 3.31Å; T69-E72 PolarHBondContact OG1-OE2 3.34Å; T69-A73 PolarHBondContact O-N 2.93Å | ||
| 70 | V | 93 | Very high | 90.4 | Very high | 121 Ų | 121 | 92.9 Ų | 92.9 | 73% | 0.733 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.9 | -37.4 | 178.2 | 178 | 0 | 0 | 0 | 0 | 111.5 | E72 A73 V74 | V70-E72 PolarHBondContact O-N 3.1Å; V70-A73 PolarHBondContact O-N 2.9Å; V70-V74 HydrophobicContact CG1-CG2 4.23Å; V70-V74 WeakPolarHBondContact O-CB 3.25Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.27Å; V70-V74 PolarHBondContact O-N 3.49Å |
| 71 | K | 93.8 | Very high | 90.7 | Very high | 176 Ų | 176 | 93.9 Ų | 93.9 | 77% | 0.765 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | 177.3 | -177.6 | -177.6 | 175.3 | -174.4 | 0 | 111.9 | T69 V74 L75 | T69-K71 PolarHBondContact O-N 2.98Å; K71-V74 PolarHBondContact O-N 3.44Å; K71-L75 WeakPolarHBondContact O-CB 3.48Å; K71-L75 PolarHBondContact O-N 2.83Å |
| 72 | E | 91.7 | Very high | 91 | Very high | 89 Ų | 89 | 92 Ų | 92 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 179 | -68.7 | 163.2 | 141.1 | 0 | 0 | 111.4 | T69 V70 V74 L75 N76 | T69-E72 WeakPolarHBondContact CB-OE2 3.27Å; T69-E72 PolarHBondContact N-OE2 3.17Å; T69-E72 PolarHBondContact O-N 3.34Å; T69-E72 VanDerWaalsContact O-N 3.1Å; T69-E72 VanDerWaalsContact OG1-CD 3.25Å; T69-E72 VanDerWaalsContact OG1-CG 3.3Å; T69-E72 WeakPolarHBondContact OG1-CG 3.48Å; T69-E72 PolarHBondContact OG1-N 3.31Å; T69-E72 PolarHBondContact OG1-OE2 3.34Å; V70-E72 PolarHBondContact O-N 3.1Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 3.37Å; E72-L75 PolarHBondContact O-N 2.86Å; E72-N76 WeakPolarHBondContact O-CB 3.4Å; E72-N76 VanDerWaalsContact O-CG 3.25Å; E72-N76 PolarHBondContact O-N 3.32Å; E72-N76 PolarHBondContact O-ND2 3.46Å |
| 73 | A | 92 | Very high | 91.2 | Very high | 51 Ų | 51 | 91.6 Ų | 91.6 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T69 V70 N76 G77 | T69-A73 PolarHBondContact O-N 2.93Å; V70-A73 PolarHBondContact O-N 2.9Å; A73-N76 PolarHBondContact O-N 3.39Å; A73-G77 PolarHBondContact O-N 3.33Å |
| 74 | V | 95 | Very high | 91.7 | Very high | 91 Ų | 91 | 94.5 Ų | 94.5 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V70 K71 E72 N76 G77 V78 | V70-V74 HydrophobicContact CG1-CG2 4.23Å; V70-V74 WeakPolarHBondContact O-CB 3.25Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.27Å; V70-V74 PolarHBondContact O-N 3.49Å; K71-V74 PolarHBondContact O-N 3.44Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 3.37Å; V74-N76 PolarHBondContact O-N 3.43Å; V74-G77 PolarHBondContact O-N 3.3Å; V74-G77 VanDerWaalsContact O-N 3.16Å; V74-V78 HydrophobicContact CG1-CG2 4.47Å; V74-V78 WeakPolarHBondContact O-CG2 3.25Å; V74-V78 PolarHBondContact O-N 3.35Å |
| 75 | L | 95.4 | Very high | 92.4 | Very high | 110 Ų | 110 | 97.2 Ų | 97.2 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.5 | -48.4 | 177.7 | -178.4 | 64.9 | 0 | 0 | 0 | 111.5 | K71 E72 G77 V78 V79 | K71-L75 WeakPolarHBondContact O-CB 3.48Å; K71-L75 PolarHBondContact O-N 2.83Å; E72-L75 PolarHBondContact O-N 2.86Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 2.99Å; L75-V78 PolarHBondContact O-N 3.43Å; L75-V79 WeakPolarHBondContact O-CG2 3.29Å; L75-V79 PolarHBondContact O-N 3.03Å; L75-V79 VanDerWaalsContact O-N 3.1Å |
| 76 | N | 93.2 | Very high | 93.1 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 177 | -68.6 | -25.5 | 0 | 0 | 0 | 111.8 | E72 A73 V74 V79 A80 | E72-N76 WeakPolarHBondContact O-CB 3.4Å; E72-N76 VanDerWaalsContact O-CG 3.25Å; E72-N76 PolarHBondContact O-N 3.32Å; E72-N76 PolarHBondContact O-ND2 3.46Å; A73-N76 PolarHBondContact O-N 3.39Å; V74-N76 PolarHBondContact O-N 3.43Å; N76-V79 PolarHBondContact O-N 3.36Å; N76-A80 WeakPolarHBondContact O-CB 3.46Å; N76-A80 PolarHBondContact O-N 2.98Å |
| 77 | G | 94 | Very high | 93.7 | Very high | 33 Ų | 33 | 97.9 Ų | 97.9 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A73 V74 L75 A80 T81 | A73-G77 PolarHBondContact O-N 3.33Å; V74-G77 PolarHBondContact O-N 3.3Å; V74-G77 VanDerWaalsContact O-N 3.16Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 2.99Å; G77-A80 PolarHBondContact O-N 2.79Å; G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 PolarHBondContact O-N 3.05Å; G77-T81 PolarHBondContact O-OG1 3.39Å |
| 78 | V | 97.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 95 Ų | 95 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V74 L75 A80 T81 E82 | V74-V78 HydrophobicContact CG1-CG2 4.47Å; V74-V78 WeakPolarHBondContact O-CG2 3.25Å; V74-V78 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.43Å; V78-A80 VanDerWaalsContact C-N 3.34Å; V78-A80 PolarHBondContact O-N 3.15Å; V78-T81 WeakPolarHBondContact O-CB 3.35Å; V78-T81 PolarHBondContact O-N 3.43Å; V78-T81 VanDerWaalsContact O-N 3.17Å; V78-E82 PolarHBondContact O-N 2.93Å |
| 79 | V | 95.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L75 N76 T81 E82 V83 | L75-V79 WeakPolarHBondContact O-CG2 3.29Å; L75-V79 PolarHBondContact O-N 3.03Å; L75-V79 VanDerWaalsContact O-N 3.1Å; N76-V79 PolarHBondContact O-N 3.36Å; V79-T81 VanDerWaalsContact C-N 3.3Å; V79-T81 PolarHBondContact O-N 2.95Å; V79-E82 WeakPolarHBondContact O-CB 3.41Å; V79-E82 PolarHBondContact O-N 2.97Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 3.48Å; V79-V83 VanDerWaalsContact O-N 3.1Å |
| 80 | A | 94.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 92.2 Ų | 92.2 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N76 G77 V78 V83 L84 | N76-A80 WeakPolarHBondContact O-CB 3.46Å; N76-A80 PolarHBondContact O-N 2.98Å; G77-A80 PolarHBondContact O-N 2.79Å; V78-A80 VanDerWaalsContact C-N 3.34Å; V78-A80 PolarHBondContact O-N 3.15Å; A80-V83 PolarHBondContact O-N 3.24Å; A80-L84 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-N 3.13Å |
| 81 | T | 95.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 89.2 Ų | 89.2 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | G77 V78 V79 V83 L84 M85 | G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 PolarHBondContact O-N 3.05Å; G77-T81 PolarHBondContact O-OG1 3.39Å; V78-T81 WeakPolarHBondContact O-CB 3.35Å; V78-T81 PolarHBondContact O-N 3.43Å; V78-T81 VanDerWaalsContact O-N 3.17Å; V79-T81 VanDerWaalsContact C-N 3.3Å; V79-T81 PolarHBondContact O-N 2.95Å; T81-V83 PolarHBondContact O-N 3.3Å; T81-L84 WeakPolarHBondContact O-CB 3.29Å; T81-L84 PolarHBondContact O-N 3.2Å; T81-M85 HydrophobicContact CG2-CE 4.05Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 2.88Å |
| 82 | E | 94.9 | Very high | 94.7 | Very high | 110 Ų | 110 | 83.9 Ų | 83.9 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.7 | -176.6 | -173.8 | -173.9 | 0 | 0 | 111.7 | V78 V79 L84 M85 W86 | V78-E82 PolarHBondContact O-N 2.93Å; V79-E82 WeakPolarHBondContact O-CB 3.41Å; V79-E82 PolarHBondContact O-N 2.97Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.06Å; E82-M85 PolarHBondContact O-N 3.24Å; E82-M85 VanDerWaalsContact O-N 3.11Å; E82-W86 PolarHBondContact O-N 3.19Å; E82-W86 VanDerWaalsContact O-N 3.1Å |
| 83 | V | 94.4 | Very high | 94.8 | Very high | 97 Ų | 97 | 85.5 Ų | 85.5 | 59% | 0.588 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | V79 A80 T81 W86 F87 | V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 3.48Å; V79-V83 VanDerWaalsContact O-N 3.1Å; A80-V83 PolarHBondContact O-N 3.24Å; T81-V83 PolarHBondContact O-N 3.3Å; V83-W86 WeakPolarHBondContact O-CB 3.41Å; V83-W86 PolarHBondContact O-N 2.89Å; V83-F87 PolarHBondContact O-N 3.19Å |
| 84 | L | 94.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 86 Ų | 86 | 44% | 0.44 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 174.9 | 173.1 | 147.7 | 0 | 0 | 0 | 112.3 | A80 T81 E82 W86 F87 Y88 | A80-L84 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-N 3.13Å; T81-L84 WeakPolarHBondContact O-CB 3.29Å; T81-L84 PolarHBondContact O-N 3.2Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.06Å; L84-W86 VanDerWaalsContact C-N 3.32Å; L84-W86 PolarHBondContact O-N 3.35Å; L84-F87 WeakPolarHBondContact O-CB 3.49Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-Y88 HydrophobicContact CD2-CD2 4.01Å; L84-Y88 HydrophobicContact CD2-CE2 3.51Å; L84-Y88 HydrophobicContact CG-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.31Å; L84-Y88 PolarHBondContact O-N 3.32Å |
| 85 | M | 96.1 | Very high | 94.8 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 173.5 | -66.1 | -59.6 | 157.9 | 0 | 0 | 112 | T81 E82 F87 Y88 V89 | T81-M85 HydrophobicContact CG2-CE 4.05Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 2.88Å; E82-M85 PolarHBondContact O-N 3.24Å; E82-M85 VanDerWaalsContact O-N 3.11Å; M85-F87 PolarHBondContact O-N 3.33Å; M85-Y88 PolarHBondContact O-N 3.33Å; M85-Y88 VanDerWaalsContact O-N 3.09Å; M85-Y88 HydrophobicContact SD-CD2 4.15Å; M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.87Å |
| 86 | W | 94.9 | Very high | 94.6 | Very high | 140 Ų | 140 | 89.4 Ų | 89.4 | 53% | 0.53 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -32.9 | 172.7 | -84.4 | 111.5 | 0 | 0 | 0 | 113.4 | L38 E82 V83 L84 V89 G90 | L38-W86 HydrophobicContact CD2-CZ2 4.17Å; E82-W86 PolarHBondContact O-N 3.19Å; E82-W86 VanDerWaalsContact O-N 3.1Å; V83-W86 WeakPolarHBondContact O-CB 3.41Å; V83-W86 PolarHBondContact O-N 2.89Å; L84-W86 VanDerWaalsContact C-N 3.32Å; L84-W86 PolarHBondContact O-N 3.35Å; W86-V89 HydrophobicContact CE3-CB 4.17Å; W86-V89 HydrophobicContact CE3-CG1 4.16Å; W86-V89 HydrophobicContact CE3-CG2 4.49Å; W86-V89 HydrophobicContact CZ3-CG1 4.1Å; W86-V89 PolarHBondContact O-N 3.35Å; W86-G90 PolarHBondContact O-N 3.46Å |
| 87 | F | 94.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 86.3 Ų | 86.3 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 171.7 | 171.1 | -94.4 | 0 | 0 | 0 | 111.6 | V83 L84 M85 V89 G90 E91 | V83-F87 PolarHBondContact O-N 3.19Å; L84-F87 WeakPolarHBondContact O-CB 3.49Å; L84-F87 PolarHBondContact O-N 2.89Å; M85-F87 PolarHBondContact O-N 3.33Å; F87-V89 PolarHBondContact O-N 3.03Å; F87-G90 WeakPolarHBondContact O-CA 3.43Å; F87-G90 PolarHBondContact O-N 2.93Å; F87-G90 VanDerWaalsContact O-N 3.09Å; F87-E91 PolarHBondContact O-N 3.43Å |
| 88 | Y | 94.7 | Very high | 94.4 | Very high | 107 Ų | 107 | 91.6 Ų | 91.6 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 176.7 | -67.9 | -61 | 0 | 0 | 0 | 113.4 | L84 M85 G90 E91 I92 | L84-Y88 HydrophobicContact CD2-CD2 4.01Å; L84-Y88 HydrophobicContact CD2-CE2 3.51Å; L84-Y88 HydrophobicContact CG-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.31Å; L84-Y88 PolarHBondContact O-N 3.32Å; M85-Y88 PolarHBondContact O-N 3.33Å; M85-Y88 VanDerWaalsContact O-N 3.09Å; M85-Y88 HydrophobicContact SD-CD2 4.15Å; Y88-G90 VanDerWaalsContact C-N 3.28Å; Y88-G90 PolarHBondContact O-N 2.89Å; Y88-E91 WeakPolarHBondContact CD1-OE2 3.46Å; Y88-E91 WeakPolarHBondContact O-CB 3.18Å; Y88-E91 PolarHBondContact O-N 3.45Å; Y88-I92 WeakPolarHBondContact O-CG1 3.38Å; Y88-I92 PolarHBondContact O-N 3.16Å |
| 89 | V | 95.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 95 Ų | 95 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 169.3 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | M85 W86 F87 E91 I92 I93 | M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.87Å; W86-V89 HydrophobicContact CE3-CB 4.17Å; W86-V89 HydrophobicContact CE3-CG1 4.16Å; W86-V89 HydrophobicContact CE3-CG2 4.49Å; W86-V89 HydrophobicContact CZ3-CG1 4.1Å; W86-V89 PolarHBondContact O-N 3.35Å; F87-V89 PolarHBondContact O-N 3.03Å; V89-E91 VanDerWaalsContact C-N 3.34Å; V89-E91 PolarHBondContact O-N 2.89Å; V89-I92 PolarHBondContact O-N 3.4Å; V89-I93 HydrophobicContact CG1-CD1 4.35Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 2.93Å; V89-I93 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 94.3 | Very high | 94 | Very high | 41 Ų | 41 | 93.5 Ų | 93.5 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | W86 F87 Y88 I93 G94 | W86-G90 PolarHBondContact O-N 3.46Å; F87-G90 WeakPolarHBondContact O-CA 3.43Å; F87-G90 PolarHBondContact O-N 2.93Å; F87-G90 VanDerWaalsContact O-N 3.09Å; Y88-G90 VanDerWaalsContact C-N 3.28Å; Y88-G90 PolarHBondContact O-N 2.89Å; G90-I93 PolarHBondContact O-N 3.3Å; G90-G94 PolarHBondContact O-N 2.98Å |
| 91 | E | 94.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 97.6 Ų | 97.6 | 27% | 0.271 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.4 | -168.2 | -154.6 | 116.9 | 0 | 0 | 112 | F87 Y88 V89 I93 G94 K95 | F87-E91 PolarHBondContact O-N 3.43Å; Y88-E91 WeakPolarHBondContact CD1-OE2 3.46Å; Y88-E91 WeakPolarHBondContact O-CB 3.18Å; Y88-E91 PolarHBondContact O-N 3.45Å; V89-E91 VanDerWaalsContact C-N 3.34Å; V89-E91 PolarHBondContact O-N 2.89Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.93Å; E91-G94 PolarHBondContact O-N 2.69Å; E91-G94 VanDerWaalsContact O-N 3.11Å; E91-K95 HydrophobicContact CG-CD 4.45Å; E91-K95 WeakPolarHBondContact O-CG 3.18Å; E91-K95 PolarHBondContact O-N 3.1Å; E91-K95 IonicContact OE1-NZ 2.82Å; E91-K95 PolarHBondContact OE1-NZ 3.03Å |
| 92 | I | 95.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 102.1 Ų | 102.1 | 32% | 0.323 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.4 | -70.4 | 165.3 | 0 | 0 | 0 | 111.1 | Y88 V89 R96 G97 | Y88-I92 WeakPolarHBondContact O-CG1 3.38Å; Y88-I92 PolarHBondContact O-N 3.16Å; V89-I92 PolarHBondContact O-N 3.4Å; I92-R96 PolarHBondContact O-N 3.35Å; I92-G97 PolarHBondContact O-N 2.93Å |
| 93 | I | 93.3 | Very high | 92.4 | Very high | 124 Ų | 124 | 106.2 Ų | 106.2 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 174.7 | -64.6 | 166 | 0 | 0 | 0 | 110.4 | V89 G90 E91 R96 | V89-I93 HydrophobicContact CG1-CD1 4.35Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 2.93Å; V89-I93 VanDerWaalsContact O-N 3.08Å; G90-I93 PolarHBondContact O-N 3.3Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.93Å; I93-R96 PolarHBondContact O-N 3.47Å |
| 94 | G | 93.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 106.7 Ų | 106.7 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | G90 E91 R96 | G90-G94 PolarHBondContact O-N 2.98Å; E91-G94 PolarHBondContact O-N 2.69Å; E91-G94 VanDerWaalsContact O-N 3.11Å; G94-R96 VanDerWaalsContact C-N 3.32Å |
| 95 | K | 94.1 | Very high | 92.2 | Very high | 42 Ų | 42 | 107.8 Ų | 107.8 | 18% | 0.183 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -81.4 | -10.6 | 177.3 | 76.7 | -164.8 | 177.7 | -168.4 | 0 | 113.9 | E91 G97 G100 Y101 | E91-K95 HydrophobicContact CG-CD 4.45Å; E91-K95 WeakPolarHBondContact O-CG 3.18Å; E91-K95 PolarHBondContact O-N 3.1Å; E91-K95 IonicContact OE1-NZ 2.82Å; E91-K95 PolarHBondContact OE1-NZ 3.03Å; K95-G97 WeakPolarHBondContact CE-O 3.39Å; K95-G97 WeakPolarHBondContact CG-O 3.42Å; K95-G97 PolarHBondContact O-N 2.9Å; K95-G100 WeakPolarHBondContact CD-O 3.33Å; K95-Y101 HydrophobicContact CB-CD1 3.66Å; K95-Y101 HydrophobicContact CB-CE1 3.46Å; K95-Y101 VanDerWaalsContact CB-CE1 3.46Å; K95-Y101 HydrophobicContact CD-CE1 4.32Å; K95-Y101 HydrophobicContact CD-CE2 4.45Å |
| 96 | R | 92.6 | Very high | 92 | Very high | 231 Ų | 231 | 108.3 Ų | 108.3 | 87% | 0.872 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.6 | 28 | 179.8 | -53.5 | 175.8 | 178.3 | 167 | -0.6 | 114 | I92 I93 G94 | I92-R96 PolarHBondContact O-N 3.35Å; I93-R96 PolarHBondContact O-N 3.47Å; G94-R96 VanDerWaalsContact C-N 3.32Å |
| 97 | G | 90.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 106.5 Ų | 106.5 | 26% | 0.258 | 57% | 0.568 | S | S | . | * | trans | -150.2 | 141.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I92 K95 | I92-G97 PolarHBondContact O-N 2.93Å; K95-G97 WeakPolarHBondContact CE-O 3.39Å; K95-G97 WeakPolarHBondContact CG-O 3.42Å; K95-G97 PolarHBondContact O-N 2.9Å | ||
| 98 | I | 91.9 | Very high | 91.6 | Very high | 144 Ų | 144 | 104.3 Ų | 104.3 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -77.1 | -32.6 | 177 | -58.4 | 176.8 | 0 | 0 | 0 | 110.2 | ||
| 99 | I | 92.6 | Very high | 91.4 | Very high | 160 Ų | 160 | 104.1 Ų | 104.1 | 82% | 0.821 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -124.4 | 121.9 | -174.3 | -56.6 | 173.2 | 0 | 0 | 0 | 109 | ||
| 100 | G | 90.3 | Very high | 91.1 | Very high | 42 Ų | 42 | 107.3 Ų | 107.3 | 43% | 0.433 | 59% | 0.589 | S | S | . | * | S | Bend | trans | 62.7 | -175.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | K95 | K95-G100 WeakPolarHBondContact CD-O 3.33Š|
| 101 | Y | 88.6 | Confident | 90.9 | Very high | 146 Ų | 146 | 112.4 Ų | 112.4 | 57% | 0.573 | 60% | 0.602 | S | S | * | * | trans | -97.9 | 140.9 | 164 | -75.7 | -91.5 | 0 | 0 | 0 | 108.1 | K95 V103 | K95-Y101 HydrophobicContact CB-CD1 3.66Å; K95-Y101 HydrophobicContact CB-CE1 3.46Å; K95-Y101 VanDerWaalsContact CB-CE1 3.46Å; K95-Y101 HydrophobicContact CD-CE1 4.32Å; K95-Y101 HydrophobicContact CD-CE2 4.45Å; Y101-V103 PolarHBondContact O-N 3.13Å; Y101-V103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | D | 85 | Confident | 90.6 | Very high | 170 Ų | 170 | 116.9 Ų | 116.9 | 91% | 0.909 | 63% | 0.63 | S | S | * | * | trans | -78.1 | 94.2 | 170.7 | -164.7 | 17.8 | 0 | 0 | 0 | 107.7 | ||||
| 103 | V | 78.9 | Confident | 90.1 | Very high | 195 Ų | 195 | 121.8 Ų | 121.8 | 100% | 1.182 | 66% | 0.657 | S | S | * | * | trans | -107.6 | 0 | -175.7 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | Y101 | Y101-V103 PolarHBondContact O-N 3.13Å; Y101-V103 VanDerWaalsContact O-N 3.16Å |
Retrieved 103 of 103 residues in 451.2 ms
(Link to these results)