| 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 | 41.4 | Very low | 71.8 | Confident | 231 Ų | 231 | 125.8 Ų | 125.8 | 100% | 1.138 | 65% | 0.646 | S | S | * | * | 0 | 120 | 0 | -65.7 | -117.1 | -131.5 | 0 | 0 | 107 | T3 | M1-T3 PolarHBondContact O-N 3.05Š| |||
| 2 | A | 49.6 | Very low | 72.3 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 88% | 0.884 | 60% | 0.602 | S | S | * | * | trans | -76.2 | 103.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | T | 70 | Confident | 72.9 | Confident | 124 Ų | 124 | 112 Ų | 112 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | trans | -95.8 | 106.5 | 172 | 50.8 | 0 | 0 | 0 | 0 | 107.5 | M1 | M1-T3 PolarHBondContact O-N 3.05Š| ||
| 4 | L | 68.6 | Low | 73.5 | Confident | 83 Ų | 83 | 114 Ų | 114 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | trans | -67.9 | 133.9 | 167.7 | -67.7 | 168.5 | 0 | 0 | 0 | 108.3 | E8 K9 | L4-E8 WeakPolarHBondContact CA-OE2 3.48Å; L4-E8 HydrophobicContact CB-CB 3.95Å; L4-E8 HydrophobicContact CD2-CB 3.81Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; L4-E8 HydrophobicContact CG-CB 4.38Å; L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 WeakPolarHBondContact O-CE 3.49Å | ||
| 5 | S | 82.7 | Confident | 74.2 | Confident | 53 Ų | 53 | 110.1 Ų | 110.1 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | trans | -57.9 | 157.3 | 166.7 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | E7 E8 K9 | S5-E7 PolarHBondContact O-N 3.18Å; S5-E8 WeakPolarHBondContact CB-OE2 3.48Å; S5-E8 PolarHBondContact N-OE2 3.22Å; S5-E8 PolarHBondContact O-N 3.39Å; S5-E8 VanDerWaalsContact OG-CG 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.23Å; S5-E8 PolarHBondContact OG-N 2.85Å; S5-E8 PolarHBondContact OG-OE2 2.81Å; S5-K9 WeakPolarHBondContact O-CG 3.35Å; S5-K9 PolarHBondContact O-N 3.42Å | ||
| 6 | E | 77.8 | Confident | 74.6 | Confident | 137 Ų | 137 | 113.9 Ų | 113.9 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.4 | -32.4 | 179.2 | -64.1 | -58.6 | 131.3 | 0 | 0 | 111.9 | K9 E10 | E6-K9 PolarHBondContact O-N 3.26Å; E6-K9 IonicContact OE1-NZ 2.68Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E6-K9 IonicContact OE2-NZ 2.94Å; E6-E10 PolarHBondContact O-N 3.26Å |
| 7 | E | 82.1 | Confident | 74.7 | Confident | 158 Ų | 158 | 110.6 Ų | 110.6 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65 | -44.8 | 174.3 | -62.9 | 178.7 | -173.4 | 0 | 0 | 112.2 | S5 K9 E10 Y11 | S5-E7 PolarHBondContact O-N 3.18Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.76Å; E7-E10 PolarHBondContact O-N 2.91Å; E7-Y11 PolarHBondContact O-N 2.86Å |
| 8 | E | 80 | Confident | 74.6 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 45% | 0.453 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -33.1 | 177.2 | -69.9 | 165.6 | 130.7 | 0 | 0 | 111.8 | L4 S5 Y11 A12 | L4-E8 WeakPolarHBondContact CA-OE2 3.48Å; L4-E8 HydrophobicContact CB-CB 3.95Å; L4-E8 HydrophobicContact CD2-CB 3.81Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; L4-E8 HydrophobicContact CG-CB 4.38Å; S5-E8 WeakPolarHBondContact CB-OE2 3.48Å; S5-E8 PolarHBondContact N-OE2 3.22Å; S5-E8 PolarHBondContact O-N 3.39Å; S5-E8 VanDerWaalsContact OG-CG 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.23Å; S5-E8 PolarHBondContact OG-N 2.85Å; S5-E8 PolarHBondContact OG-OE2 2.81Å; E8-Y11 PolarHBondContact O-N 3.39Å; E8-A12 WeakPolarHBondContact O-CB 3.04Å; E8-A12 PolarHBondContact O-N 3.07Å |
| 9 | K | 76.1 | Confident | 74.3 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 32% | 0.317 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -43.1 | 171.8 | -70.8 | 179.1 | -171.1 | 167.8 | 0 | 110.8 | L4 S5 E6 E7 A12 V13 L19 | L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 WeakPolarHBondContact O-CE 3.49Å; S5-K9 WeakPolarHBondContact O-CG 3.35Å; S5-K9 PolarHBondContact O-N 3.42Å; E6-K9 PolarHBondContact O-N 3.26Å; E6-K9 IonicContact OE1-NZ 2.68Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E6-K9 IonicContact OE2-NZ 2.94Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.76Å; K9-A12 PolarHBondContact O-N 2.98Å; K9-V13 WeakPolarHBondContact O-CB 3.27Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.37Å; K9-L19 HydrophobicContact CB-CD1 4.33Å; K9-L19 HydrophobicContact CG-CD1 4.48Å |
| 10 | E | 79.3 | Confident | 74.1 | Confident | 146 Ų | 146 | 107.9 Ų | 107.9 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.9 | -45.7 | 176.6 | -173.8 | 175 | -177.3 | 0 | 0 | 111.2 | E6 E7 A12 V13 D14 | E6-E10 PolarHBondContact O-N 3.26Å; E7-E10 PolarHBondContact O-N 2.91Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.47Å; E10-V13 PolarHBondContact O-N 2.71Å; E10-D14 WeakPolarHBondContact O-CB 3.48Å; E10-D14 PolarHBondContact O-N 2.78Å |
| 11 | Y | 81.8 | Confident | 74.3 | Confident | 175 Ų | 175 | 108.5 Ų | 108.5 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.7 | -39.3 | 175.3 | -173.4 | -97.4 | 0 | 0 | 0 | 112.6 | E7 E8 D14 A15 | E7-Y11 PolarHBondContact O-N 2.86Å; E8-Y11 PolarHBondContact O-N 3.39Å; Y11-D14 PolarHBondContact O-N 2.93Å; Y11-A15 VanDerWaalsContact O-CB 3.23Å; Y11-A15 WeakPolarHBondContact O-CB 3.3Å; Y11-A15 PolarHBondContact O-N 3.07Å |
| 12 | A | 78.1 | Confident | 76.1 | Confident | 14 Ų | 14 | 101.4 Ų | 101.4 | 12% | 0.116 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -67.2 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E8 K9 E10 F16 L19 | E8-A12 WeakPolarHBondContact O-CB 3.04Å; E8-A12 PolarHBondContact O-N 3.07Å; K9-A12 PolarHBondContact O-N 2.98Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.47Å; A12-F16 HydrophobicContact CB-CD2 4.36Å; A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 VanDerWaalsContact O-CD2 3.3Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 PolarHBondContact O-N 2.89Å; A12-L19 HydrophobicContact CB-CD2 4.15Å |
| 13 | V | 80.5 | Confident | 78 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 35% | 0.352 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -43.6 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | K9 E10 G17 L19 | K9-V13 WeakPolarHBondContact O-CB 3.27Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.37Å; E10-V13 PolarHBondContact O-N 2.71Å; V13-G17 CarbonylContact O-C 3.17Å; V13-G17 WeakPolarHBondContact O-CA 3.46Å; V13-G17 PolarHBondContact O-N 2.78Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; V13-L19 HydrophobicContact CG2-CD2 4.38Å; V13-L19 HydrophobicContact CG2-CG 3.59Å |
| 14 | D | 81.5 | Confident | 79 | Confident | 140 Ų | 140 | 97 Ų | 97 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 177.7 | -170.3 | 59.2 | 0 | 0 | 0 | 111.7 | E10 Y11 | E10-D14 WeakPolarHBondContact O-CB 3.48Å; E10-D14 PolarHBondContact O-N 2.78Å; Y11-D14 PolarHBondContact O-N 2.93Å |
| 15 | A | 83 | Confident | 80 | Confident | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.6 | -38.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y11 | Y11-A15 VanDerWaalsContact O-CB 3.23Å; Y11-A15 WeakPolarHBondContact O-CB 3.3Å; Y11-A15 PolarHBondContact O-N 3.07Å |
| 16 | F | 80.2 | Confident | 80.4 | Confident | 171 Ų | 171 | 99.6 Ų | 99.6 | 75% | 0.75 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -110.3 | 1.3 | -174.1 | -58.8 | -70.8 | 0 | 0 | 0 | 113.8 | A12 S18 | A12-F16 HydrophobicContact CB-CD2 4.36Å; A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 VanDerWaalsContact O-CD2 3.3Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 PolarHBondContact O-N 2.89Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.22Å; F16-S18 VanDerWaalsContact O-N 3.07Å |
| 17 | G | 76.9 | Confident | 81.1 | Confident | 58 Ų | 58 | 94.4 Ų | 94.4 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 81.5 | -52.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V13 | V13-G17 CarbonylContact O-C 3.17Å; V13-G17 WeakPolarHBondContact O-CA 3.46Å; V13-G17 PolarHBondContact O-N 2.78Å |
| 18 | S | 72.7 | Confident | 81.7 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -145.7 | 136.9 | 178.7 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | F16 | F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.22Å; F16-S18 VanDerWaalsContact O-N 3.07Å |
| 19 | L | 70.1 | Confident | 82.3 | Confident | 74 Ų | 74 | 88 Ų | 88 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | trans | -60.3 | 142.7 | 170.3 | -70.6 | 168.6 | 0 | 0 | 0 | 109.6 | K9 A12 V13 T21 | K9-L19 HydrophobicContact CB-CD1 4.33Å; K9-L19 HydrophobicContact CG-CD1 4.48Å; A12-L19 HydrophobicContact CB-CD2 4.15Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; V13-L19 HydrophobicContact CG2-CD2 4.38Å; V13-L19 HydrophobicContact CG2-CG 3.59Å; L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | P | 69.4 | Low | 83.1 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 75% | 0.753 | 51% | 0.505 | S | S | * | . | trans | -58.8 | 119.9 | 176.3 | 24.2 | -32.3 | 0 | 0 | 0 | 109.1 | A22 | P20-A22 PolarHBondContact O-N 3.36Å; P20-A22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | T | 78.5 | Confident | 83.8 | Confident | 120 Ų | 120 | 84.7 Ų | 84.7 | 74% | 0.736 | 48% | 0.483 | S | S | * | . | trans | -80.7 | 23.4 | 177.7 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | L19 T23 | L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å; T21-T23 WeakPolarHBondContact O-CG2 3.43Å; T21-T23 PolarHBondContact O-N 3.11Å; T21-T23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | A | 79 | Confident | 84.4 | Confident | 82 Ų | 82 | 79.2 Ų | 79.2 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | trans | -62.2 | 116.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P20 E26 | P20-A22 PolarHBondContact O-N 3.36Å; P20-A22 VanDerWaalsContact O-N 3.11Å; A22-E26 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 23 | T | 89.2 | Confident | 85.2 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | trans | -91.2 | 157.4 | 180 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | T21 D25 E26 A27 | T21-T23 WeakPolarHBondContact O-CG2 3.43Å; T21-T23 PolarHBondContact O-N 3.11Å; T21-T23 VanDerWaalsContact O-N 3.11Å; T23-D25 PolarHBondContact O-N 3.13Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.38Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.42Å; T23-E26 VanDerWaalsContact OG1-N 3.13Å; T23-E26 PolarHBondContact OG1-OE2 3.27Å; T23-A27 PolarHBondContact O-N 3.39Å | ||
| 24 | I | 90.5 | Very high | 85.9 | Confident | 74 Ų | 74 | 82.3 Ų | 82.3 | 38% | 0.379 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -30.6 | 172.7 | -56.9 | -60.6 | 0 | 0 | 0 | 111 | A27 L28 C51 A54 K55 | I24-A27 WeakPolarHBondContact O-CB 3.5Å; I24-A27 PolarHBondContact O-N 2.77Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3Å; I24-C51 HydrophobicContact CG2-CB 3.93Å; I24-A54 HydrophobicContact CD1-CB 4.27Å; I24-A54 HydrophobicContact CG1-CB 4.4Å; I24-A54 HydrophobicContact CG2-CB 4.42Å; I24-K55 HydrophobicContact CG2-CD 4.24Å; I24-K55 HydrophobicContact CG2-CG 3.76Å |
| 25 | D | 90.9 | Very high | 86.4 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 176.3 | -69.6 | -52.5 | 0 | 0 | 0 | 112.6 | T23 A27 L28 H29 K55 | T23-D25 PolarHBondContact O-N 3.13Å; D25-A27 VanDerWaalsContact C-N 3.32Å; D25-L28 PolarHBondContact O-N 3.11Å; D25-H29 PolarHBondContact O-N 3.36Å; D25-K55 IonicContact OD1-NZ 3.94Å; D25-K55 PolarHBondContact OD1-NZ 3.22Å |
| 26 | E | 90.7 | Very high | 86.9 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 46% | 0.458 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 172.2 | -73.6 | 169.7 | 156.3 | 0 | 0 | 111.4 | A22 T23 H29 N30 | A22-E26 WeakPolarHBondContact CA-OE2 3.49Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.38Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.42Å; T23-E26 VanDerWaalsContact OG1-N 3.13Å; T23-E26 PolarHBondContact OG1-OE2 3.27Å; E26-H29 PolarHBondContact O-N 3.41Å; E26-N30 PolarHBondContact O-N 2.83Å; E26-N30 PolarHBondContact O-ND2 3.34Å |
| 27 | A | 92.3 | Very high | 87.6 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | T23 I24 D25 H29 N30 F31 | T23-A27 PolarHBondContact O-N 3.39Å; I24-A27 WeakPolarHBondContact O-CB 3.5Å; I24-A27 PolarHBondContact O-N 2.77Å; D25-A27 VanDerWaalsContact C-N 3.32Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H29 PolarHBondContact O-N 3.25Å; A27-N30 PolarHBondContact O-N 3.33Å; A27-F31 HydrophobicContact CB-CD2 4.28Å; A27-F31 HydrophobicContact CB-CE2 3.98Å; A27-F31 WeakPolarHBondContact O-CD2 3.49Å; A27-F31 WeakPolarHBondContact O-CG 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å |
| 28 | L | 94.1 | Very high | 88.2 | Confident | 13 Ų | 13 | 83.4 Ų | 83.4 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 175.2 | -78.4 | 171.8 | 0 | 0 | 0 | 111.9 | I24 D25 N30 F31 H32 L48 C51 Y52 K55 | I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3Å; D25-L28 PolarHBondContact O-N 3.11Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.8Å; L28-F31 PolarHBondContact O-N 3Å; L28-H32 WeakPolarHBondContact O-CB 2.98Å; L28-H32 PolarHBondContact O-CD2 3.37Å; L28-H32 PolarHBondContact O-N 2.99Å; L28-L48 HydrophobicContact CD2-CD2 3.97Å; L28-C51 HydrophobicContact CD1-CB 4.46Å; L28-C51 HydrophobicContact CD2-CB 3.39Å; L28-C51 HydrophobicContact CG-CB 3.67Å; L28-Y52 HydrophobicContact CD1-CE1 4.36Å; L28-Y52 HydrophobicContact CD2-CD2 4Å; L28-Y52 HydrophobicContact CD2-CE1 4.34Å; L28-Y52 HydrophobicContact CD2-CE2 3.68Å; L28-Y52 HydrophobicContact CD2-CG 4.41Å; L28-K55 HydrophobicContact CD1-CD 3.51Å; L28-K55 HydrophobicContact CD1-CG 4.48Å |
| 29 | H | 93.3 | Very high | 89 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 178.4 | -179.2 | 70.5 | 0 | 0 | 0 | 112.5 | D25 E26 A27 K33 | D25-H29 PolarHBondContact O-N 3.36Å; E26-H29 PolarHBondContact O-N 3.41Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H29 PolarHBondContact O-N 3.25Å; H29-K33 VanDerWaalsContact NE2-CE 3.32Å; H29-K33 WeakPolarHBondContact NE2-CE 3.48Å; H29-K33 PolarHBondContact NE2-NZ 3.4Å; H29-K33 WeakPolarHBondContact O-CG 3.44Å; H29-K33 PolarHBondContact O-N 3.27Å; H29-K33 VanDerWaalsContact O-N 3.17Å |
| 30 | N | 93.2 | Very high | 89.9 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 178.2 | -73.1 | -60.4 | 0 | 0 | 0 | 112.3 | E26 A27 L28 K33 A34 | E26-N30 PolarHBondContact O-N 2.83Å; E26-N30 PolarHBondContact O-ND2 3.34Å; A27-N30 PolarHBondContact O-N 3.33Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.8Å; N30-K33 PolarHBondContact O-N 2.99Å; N30-A34 PolarHBondContact O-N 3.02Å |
| 31 | F | 95 | Very high | 90.9 | Very high | 53 Ų | 53 | 80.2 Ų | 80.2 | 23% | 0.232 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.7 | -33 | 177.9 | -67.5 | -54.6 | 0 | 0 | 0 | 112.9 | A27 L28 A34 E35 N44 H47 L48 | A27-F31 HydrophobicContact CB-CD2 4.28Å; A27-F31 HydrophobicContact CB-CE2 3.98Å; A27-F31 WeakPolarHBondContact O-CD2 3.49Å; A27-F31 WeakPolarHBondContact O-CG 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å; L28-F31 PolarHBondContact O-N 3Å; F31-A34 PolarHBondContact O-N 3.16Å; F31-E35 PolarHBondContact O-N 2.97Å; F31-N44 WeakPolarHBondContact CD1-OD1 3.5Å; F31-N44 PolarHBondContact O-ND2 3.4Å; F31-N44 PolarHBondContact O-OD1 2.61Å; F31-H47 HydrophobicContact CD1-CB 3.93Å; F31-H47 HydrophobicContact CD2-CB 4.03Å; F31-H47 HydrophobicContact CE1-CB 3.59Å; F31-H47 AromaticContact CE1-CG 3.88Å; F31-H47 HydrophobicContact CE2-CB 3.72Å; F31-H47 HydrophobicContact CG-CB 4.16Å; F31-H47 HydrophobicContact CZ-CB 3.49Å; F31-H47 VanDerWaalsContact CZ-CB 3.49Å; F31-H47 AromaticContact CZ-CD2 3.8Å; F31-H47 AromaticContact CZ-CG 3.76Å; F31-L48 HydrophobicContact CB-CD2 3.54Å; F31-L48 HydrophobicContact CB-CG 3.75Å |
| 32 | H | 94.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 74.8 Ų | 74.8 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 171.2 | -77.9 | -57.9 | 0 | 0 | 0 | 111.5 | L28 A34 E35 E36 Y52 Y64 | L28-H32 WeakPolarHBondContact O-CB 2.98Å; L28-H32 PolarHBondContact O-CD2 3.37Å; L28-H32 PolarHBondContact O-N 2.99Å; H32-A34 VanDerWaalsContact C-N 3.31Å; H32-A34 PolarHBondContact O-N 3.26Å; H32-E35 WeakPolarHBondContact O-CB 3.3Å; H32-E35 PolarHBondContact O-N 3.04Å; H32-E35 VanDerWaalsContact O-N 3.17Å; H32-E36 PolarHBondContact O-N 3.29Å; H32-Y52 PolarHBondContact CE1-OH 3.39Å; H32-Y52 AromaticContact NE2-CZ 4Å; H32-Y52 PolarHBondContact NE2-OH 2.92Å; H32-Y64 PolarHBondContact CE1-OH 2.92Å |
| 33 | K | 94.3 | Very high | 92.2 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 172.3 | -74.2 | -178.5 | 173.4 | -176.2 | 0 | 112.7 | H29 N30 E35 E36 L37 | H29-K33 VanDerWaalsContact NE2-CE 3.32Å; H29-K33 WeakPolarHBondContact NE2-CE 3.48Å; H29-K33 PolarHBondContact NE2-NZ 3.4Å; H29-K33 WeakPolarHBondContact O-CG 3.44Å; H29-K33 PolarHBondContact O-N 3.27Å; H29-K33 VanDerWaalsContact O-N 3.17Å; N30-K33 PolarHBondContact O-N 2.99Å; K33-E35 VanDerWaalsContact C-N 3.3Å; K33-E36 PolarHBondContact O-N 3.37Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 2.91Å |
| 34 | A | 93.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N30 F31 H32 L37 N38 N44 | N30-A34 PolarHBondContact O-N 3.02Å; F31-A34 PolarHBondContact O-N 3.16Å; H32-A34 VanDerWaalsContact C-N 3.31Å; H32-A34 PolarHBondContact O-N 3.26Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-N38 PolarHBondContact O-N 3.4Å; A34-N44 WeakPolarHBondContact CB-OD1 3.49Å |
| 35 | E | 92.6 | Very high | 92.7 | Very high | 39 Ų | 39 | 67.7 Ų | 67.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 174.1 | -166.6 | 60.1 | -160.6 | 0 | 0 | 111.9 | F31 H32 K33 L37 N38 P39 G40 N44 L48 | F31-E35 PolarHBondContact O-N 2.97Å; H32-E35 WeakPolarHBondContact O-CB 3.3Å; H32-E35 PolarHBondContact O-N 3.04Å; H32-E35 VanDerWaalsContact O-N 3.17Å; K33-E35 VanDerWaalsContact C-N 3.3Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.92Å; E35-N38 CarbonylContact O-C 3.47Å; E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.44Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-N 3.13Å; E35-P39 VanDerWaalsContact OE1-CA 3.29Å; E35-P39 WeakPolarHBondContact OE1-CA 3.48Å; E35-G40 PolarHBondContact OE1-N 2.92Å; E35-N44 WeakPolarHBondContact CA-ND2 3.48Å; E35-N44 VanDerWaalsContact CB-ND2 3.33Å; E35-N44 WeakPolarHBondContact CB-ND2 3.47Å; E35-N44 PolarHBondContact N-ND2 3.35Å; E35-N44 PolarHBondContact OE2-ND2 3.35Å; E35-L48 HydrophobicContact CB-CD1 4.49Å |
| 36 | E | 94 | Very high | 92.9 | Very high | 162 Ų | 162 | 63.4 Ų | 63.4 | 76% | 0.757 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -33.3 | 174.2 | -69.9 | 176.3 | -178.6 | 0 | 0 | 112.4 | H32 K33 | H32-E36 PolarHBondContact O-N 3.29Å; K33-E36 PolarHBondContact O-N 3.37Å |
| 37 | L | 93.7 | Very high | 93 | Very high | 154 Ų | 154 | 62.3 Ų | 62.3 | 81% | 0.806 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -82 | -39.1 | -179.5 | -67.8 | 174.1 | 0 | 0 | 0 | 112.9 | K33 A34 E35 | K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 2.91Å; A34-L37 PolarHBondContact O-N 3.21Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.92Å |
| 38 | N | 90.2 | Very high | 93.2 | Very high | 93 Ų | 93 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -142.1 | 83 | 179.4 | -172.9 | 25.5 | 0 | 0 | 0 | 110.8 | A34 E35 | A34-N38 PolarHBondContact O-N 3.4Å; E35-N38 CarbonylContact O-C 3.47Å |
| 39 | P | 90.2 | Very high | 93.2 | Very high | 94 Ų | 94 | 60.3 Ų | 60.3 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 141 | -176.4 | 26.5 | -33.9 | 0 | 0 | 0 | 111.5 | E35 | E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.44Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-N 3.13Å; E35-P39 VanDerWaalsContact OE1-CA 3.29Å; E35-P39 WeakPolarHBondContact OE1-CA 3.48Å |
| 40 | G | 87.8 | Confident | 93.2 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 20.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E35 I71 | E35-G40 PolarHBondContact OE1-N 2.92Å; G40-I71 WeakPolarHBondContact O-CD1 3Å |
| 41 | H | 91.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 38% | 0.375 | 29% | 0.285 | S | S | . | . | trans | -77.2 | 121.2 | 170.2 | -169.1 | -119 | 0 | 0 | 0 | 110.2 | D43 N44 L45 | H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 VanDerWaalsContact CE1-CG 3.49Å; H41-D43 IonicContact CE1-OD1 2.61Å; H41-D43 IonicContact CE1-OD2 3.97Å; H41-D43 PolarHBondContact O-N 2.91Å; H41-N44 HydrophobicContact CB-CB 4.11Å; H41-N44 PolarHBondContact O-N 2.89Å; H41-L45 PolarHBondContact O-N 2.95Å; H41-L45 VanDerWaalsContact O-N 3.09Å | ||
| 42 | I | 92.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.6 | -48.5 | -173.9 | -66.9 | 174.5 | 0 | 0 | 0 | 111.2 | N44 L45 L46 V68 I71 D78 Q81 | I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 3.15Å; I42-L45 PolarHBondContact O-N 3.36Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 PolarHBondContact O-N 3.5Å; I42-V68 HydrophobicContact CG2-CG1 3.76Å; I42-I71 HydrophobicContact CD1-CB 4.1Å; I42-I71 HydrophobicContact CD1-CG2 3.68Å; I42-I71 HydrophobicContact CG1-CB 3.95Å; I42-I71 HydrophobicContact CG1-CD1 3.71Å; I42-I71 HydrophobicContact CG1-CG1 4.45Å; I42-I71 HydrophobicContact CG1-CG2 3.72Å; I42-D78 HydrophobicContact CD1-CB 3.74Å; I42-Q81 HydrophobicContact CG2-CB 3.72Å; I42-Q81 HydrophobicContact CG2-CG 4.42Å |
| 43 | D | 92.5 | Very high | 93.2 | Very high | 54 Ų | 54 | 53 Ų | 53 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.7 | -46.9 | 177.7 | -60.8 | 12.6 | 0 | 0 | 0 | 111 | H41 L46 H47 Q81 | H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 VanDerWaalsContact CE1-CG 3.49Å; H41-D43 IonicContact CE1-OD1 2.61Å; H41-D43 IonicContact CE1-OD2 3.97Å; H41-D43 PolarHBondContact O-N 2.91Å; D43-L46 PolarHBondContact O-N 3.25Å; D43-H47 PolarHBondContact O-N 2.96Å; D43-H47 PolarHBondContact O-ND1 3.36Å; D43-Q81 VanDerWaalsContact CG-NE2 3.34Å; D43-Q81 VanDerWaalsContact OD1-CD 3.28Å; D43-Q81 PolarHBondContact OD1-NE2 3.26Å; D43-Q81 PolarHBondContact OD1-OE1 3.22Å; D43-Q81 VanDerWaalsContact OD1-OE1 3.11Å |
| 44 | N | 94.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | -172.5 | -170 | 59.5 | 0 | 0 | 0 | 111 | F31 A34 E35 H41 I42 L46 H47 L48 | F31-N44 WeakPolarHBondContact CD1-OD1 3.5Å; F31-N44 PolarHBondContact O-ND2 3.4Å; F31-N44 PolarHBondContact O-OD1 2.61Å; A34-N44 WeakPolarHBondContact CB-OD1 3.49Å; E35-N44 WeakPolarHBondContact CA-ND2 3.48Å; E35-N44 VanDerWaalsContact CB-ND2 3.33Å; E35-N44 WeakPolarHBondContact CB-ND2 3.47Å; E35-N44 PolarHBondContact N-ND2 3.35Å; E35-N44 PolarHBondContact OE2-ND2 3.35Å; H41-N44 HydrophobicContact CB-CB 4.11Å; H41-N44 PolarHBondContact O-N 2.89Å; I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 3.15Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 2.94Å; N44-H47 PolarHBondContact O-N 2.68Å; N44-L48 PolarHBondContact O-N 2.93Å |
| 45 | L | 94.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 176.2 | -65.5 | 174.7 | 0 | 0 | 0 | 111.8 | H41 I42 L48 A49 Y64 V68 I71 | H41-L45 PolarHBondContact O-N 2.95Å; H41-L45 VanDerWaalsContact O-N 3.09Å; I42-L45 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-A49 WeakPolarHBondContact O-CB 3.43Å; L45-A49 PolarHBondContact O-N 3.2Å; L45-Y64 HydrophobicContact CD2-CD1 3.85Å; L45-Y64 HydrophobicContact CD2-CE1 4.42Å; L45-V68 HydrophobicContact CB-CG2 3.46Å; L45-V68 VanDerWaalsContact CB-CG2 3.46Å; L45-V68 HydrophobicContact CD1-CG2 4.14Å; L45-V68 HydrophobicContact CG-CG2 4.49Å; L45-I71 HydrophobicContact CD1-CD1 3.54Å |
| 46 | L | 94.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 177.6 | -174.6 | 61.1 | 0 | 0 | 0 | 112 | I42 D43 N44 A49 K50 L65 Q81 E84 L88 | I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 PolarHBondContact O-N 3.5Å; D43-L46 PolarHBondContact O-N 3.25Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 2.94Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 3.13Å; L46-K50 HydrophobicContact CG-CD 4.39Å; L46-K50 WeakPolarHBondContact O-CB 3.33Å; L46-K50 VanDerWaalsContact O-CG 3.3Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 3.36Å; L46-L65 HydrophobicContact CD1-CD2 3.93Å; L46-Q81 HydrophobicContact CD2-CB 3.98Å; L46-Q81 HydrophobicContact CD2-CG 3.91Å; L46-E84 WeakPolarHBondContact CD2-OE2 3.4Å; L46-L88 HydrophobicContact CD1-CD1 3.84Å |
| 47 | H | 94.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 175.3 | -73.9 | 91.5 | 0 | 0 | 0 | 112.4 | F31 D43 N44 A49 K50 C51 | F31-H47 HydrophobicContact CD1-CB 3.93Å; F31-H47 HydrophobicContact CD2-CB 4.03Å; F31-H47 HydrophobicContact CE1-CB 3.59Å; F31-H47 AromaticContact CE1-CG 3.88Å; F31-H47 HydrophobicContact CE2-CB 3.72Å; F31-H47 HydrophobicContact CG-CB 4.16Å; F31-H47 HydrophobicContact CZ-CB 3.49Å; F31-H47 VanDerWaalsContact CZ-CB 3.49Å; F31-H47 AromaticContact CZ-CD2 3.8Å; F31-H47 AromaticContact CZ-CG 3.76Å; D43-H47 PolarHBondContact O-N 2.96Å; D43-H47 PolarHBondContact O-ND1 3.36Å; N44-H47 PolarHBondContact O-N 2.68Å; H47-A49 VanDerWaalsContact C-N 3.34Å; H47-K50 PolarHBondContact O-N 3.02Å; H47-C51 WeakPolarHBondContact O-CB 3.34Å; H47-C51 PolarHBondContact O-N 3.2Å; H47-C51 PolarHBondContact O-SG 3.37Å |
| 48 | L | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -50.7 | 170.3 | -78 | 168.8 | 0 | 0 | 0 | 110.2 | L28 F31 E35 N44 L45 K50 C51 Y52 Y64 | L28-L48 HydrophobicContact CD2-CD2 3.97Å; F31-L48 HydrophobicContact CB-CD2 3.54Å; F31-L48 HydrophobicContact CB-CG 3.75Å; E35-L48 HydrophobicContact CB-CD1 4.49Å; N44-L48 PolarHBondContact O-N 2.93Å; L45-L48 PolarHBondContact O-N 3.47Å; L48-K50 PolarHBondContact O-N 3.47Å; L48-C51 WeakPolarHBondContact O-CB 3.33Å; L48-C51 PolarHBondContact O-N 3.06Å; L48-Y52 HydrophobicContact CD2-CE2 4.48Å; L48-Y52 WeakPolarHBondContact O-CD2 3.39Å; L48-Y52 PolarHBondContact O-N 3.19Å; L48-Y64 HydrophobicContact CB-CD1 4.01Å; L48-Y64 HydrophobicContact CB-CD2 4.33Å; L48-Y64 HydrophobicContact CB-CE1 4.26Å; L48-Y64 HydrophobicContact CB-CG 4.05Å; L48-Y64 HydrophobicContact CD1-CD1 3.95Å; L48-Y64 HydrophobicContact CD1-CE1 3.64Å; L48-Y64 HydrophobicContact CG-CE1 4.49Å |
| 49 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -50.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L45 L46 H47 C51 Y52 I53 L65 | L45-A49 WeakPolarHBondContact O-CB 3.43Å; L45-A49 PolarHBondContact O-N 3.2Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 3.13Å; H47-A49 VanDerWaalsContact C-N 3.34Å; A49-C51 VanDerWaalsContact C-N 3.3Å; A49-C51 PolarHBondContact O-N 3.14Å; A49-Y52 PolarHBondContact O-N 3.17Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.28Å; A49-L65 HydrophobicContact CB-CD1 4.46Å; A49-L65 HydrophobicContact CB-CD2 3.59Å; A49-L65 HydrophobicContact CB-CG 3.64Å |
| 50 | K | 94.2 | Very high | 92.7 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.2 | -40.4 | 178.1 | -74.9 | 171.2 | 178.1 | 175.2 | 0 | 112.2 | L46 H47 L48 I53 A54 E84 L88 | L46-K50 HydrophobicContact CG-CD 4.39Å; L46-K50 WeakPolarHBondContact O-CB 3.33Å; L46-K50 VanDerWaalsContact O-CG 3.3Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 3.36Å; H47-K50 PolarHBondContact O-N 3.02Å; L48-K50 PolarHBondContact O-N 3.47Å; K50-I53 PolarHBondContact O-N 3.27Å; K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.91Å; K50-E84 WeakPolarHBondContact CE-OE1 3.5Å; K50-E84 IonicContact NZ-OE1 2.71Å; K50-E84 PolarHBondContact NZ-OE1 3.2Å; K50-E84 IonicContact NZ-OE2 3.95Å; K50-E84 PolarHBondContact NZ-OE2 3.33Å; K50-L88 HydrophobicContact CG-CD1 4.15Å |
| 51 | C | 94.2 | Very high | 93 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.081 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | I24 L28 H47 L48 A49 A54 K55 | I24-C51 HydrophobicContact CG2-CB 3.93Å; L28-C51 HydrophobicContact CD1-CB 4.46Å; L28-C51 HydrophobicContact CD2-CB 3.39Å; L28-C51 HydrophobicContact CG-CB 3.67Å; H47-C51 WeakPolarHBondContact O-CB 3.34Å; H47-C51 PolarHBondContact O-N 3.2Å; H47-C51 PolarHBondContact O-SG 3.37Å; L48-C51 WeakPolarHBondContact O-CB 3.33Å; L48-C51 PolarHBondContact O-N 3.06Å; A49-C51 VanDerWaalsContact C-N 3.3Å; A49-C51 PolarHBondContact O-N 3.14Å; C51-A54 PolarHBondContact O-N 2.87Å; C51-K55 PolarHBondContact O-N 3.38Å |
| 52 | Y | 94.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 43 Ų | 43 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 176 | -77.4 | -67.4 | 0 | 0 | 0 | 112.9 | L28 H32 L48 A49 K55 G56 N57 E60 Y64 | L28-Y52 HydrophobicContact CD1-CE1 4.36Å; L28-Y52 HydrophobicContact CD2-CD2 4Å; L28-Y52 HydrophobicContact CD2-CE1 4.34Å; L28-Y52 HydrophobicContact CD2-CE2 3.68Å; L28-Y52 HydrophobicContact CD2-CG 4.41Å; H32-Y52 PolarHBondContact CE1-OH 3.39Å; H32-Y52 AromaticContact NE2-CZ 4Å; H32-Y52 PolarHBondContact NE2-OH 2.92Å; L48-Y52 HydrophobicContact CD2-CE2 4.48Å; L48-Y52 WeakPolarHBondContact O-CD2 3.39Å; L48-Y52 PolarHBondContact O-N 3.19Å; A49-Y52 PolarHBondContact O-N 3.17Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; Y52-K55 PolarHBondContact O-N 3.02Å; Y52-G56 PolarHBondContact O-N 3.4Å; Y52-N57 HydrophobicContact CD1-CB 4.22Å; Y52-N57 PolarHBondContact O-N 3.11Å; Y52-E60 HydrophobicContact CD1-CB 3.68Å; Y52-E60 HydrophobicContact CD1-CG 4.4Å; Y52-E60 HydrophobicContact CD2-CB 4.18Å; Y52-E60 HydrophobicContact CE1-CB 3.94Å; Y52-E60 HydrophobicContact CE1-CG 4.27Å; Y52-E60 HydrophobicContact CE2-CB 4.46Å; Y52-E60 HydrophobicContact CG-CB 3.81Å; Y52-Y64 AromaticContact CD2-CD2 3.67Å; Y52-Y64 HydrophobicContact CD2-CD2 3.67Å; Y52-Y64 AromaticContact CD2-CE2 3.63Å; Y52-Y64 HydrophobicContact CD2-CE2 3.63Å; Y52-Y64 AromaticContact CE2-CD2 3.74Å; Y52-Y64 HydrophobicContact CE2-CD2 3.74Å; Y52-Y64 AromaticContact CE2-CE2 3.19Å; Y52-Y64 HydrophobicContact CE2-CE2 3.19Å; Y52-Y64 AromaticContact CE2-CZ 3.96Å |
| 53 | I | 93 | Very high | 93.2 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 171.4 | -65.1 | 170.4 | 0 | 0 | 0 | 109.9 | A49 K50 K55 G56 A61 L88 I92 | A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.28Å; K50-I53 PolarHBondContact O-N 3.27Å; I53-K55 PolarHBondContact O-N 3.03Å; I53-G56 PolarHBondContact O-N 2.9Å; I53-A61 HydrophobicContact CD1-CB 4.38Å; I53-A61 HydrophobicContact CG1-CB 3.51Å; I53-L88 HydrophobicContact CD1-CB 4.31Å; I53-L88 HydrophobicContact CD1-CD1 4.34Å; I53-L88 HydrophobicContact CD1-CD2 3.97Å; I53-L88 HydrophobicContact CD1-CG 4.44Å; I53-I92 HydrophobicContact CD1-CD1 3.94Å; I53-I92 HydrophobicContact CD1-CG1 4.43Å; I53-I92 HydrophobicContact CG1-CD1 3.97Å; I53-I92 HydrophobicContact CG1-CG1 4.42Å |
| 54 | A | 91.2 | Very high | 93.2 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62 | -28.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I24 K50 C51 G56 | I24-A54 HydrophobicContact CD1-CB 4.27Å; I24-A54 HydrophobicContact CG1-CB 4.4Å; I24-A54 HydrophobicContact CG2-CB 4.42Å; K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.91Å; C51-A54 PolarHBondContact O-N 2.87Å; A54-G56 VanDerWaalsContact C-N 3.31Å |
| 55 | K | 91.1 | Very high | 93.3 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.8 | 172.4 | -69 | -164.3 | 67.3 | 157.3 | 0 | 114.4 | I24 D25 L28 C51 Y52 I53 N57 | I24-K55 HydrophobicContact CG2-CD 4.24Å; I24-K55 HydrophobicContact CG2-CG 3.76Å; D25-K55 IonicContact OD1-NZ 3.94Å; D25-K55 PolarHBondContact OD1-NZ 3.22Å; L28-K55 HydrophobicContact CD1-CD 3.51Å; L28-K55 HydrophobicContact CD1-CG 4.48Å; C51-K55 PolarHBondContact O-N 3.38Å; Y52-K55 PolarHBondContact O-N 3.02Å; I53-K55 PolarHBondContact O-N 3.03Å; K55-N57 PolarHBondContact O-N 3.4Å |
| 56 | G | 89.7 | Confident | 93.2 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 57% | 0.567 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y52 I53 A54 N58 | Y52-G56 PolarHBondContact O-N 3.4Å; I53-G56 PolarHBondContact O-N 2.9Å; A54-G56 VanDerWaalsContact C-N 3.31Å; G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.15Å |
| 57 | N | 91.8 | Very high | 93.2 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | trans | -89.2 | 75.6 | 176.7 | -170.8 | -10.6 | 0 | 0 | 0 | 110.7 | Y52 K55 L59 E60 A61 | Y52-N57 HydrophobicContact CD1-CB 4.22Å; Y52-N57 PolarHBondContact O-N 3.11Å; K55-N57 PolarHBondContact O-N 3.4Å; N57-L59 PolarHBondContact O-N 2.97Å; N57-L59 PolarHBondContact OD1-N 3.43Å; N57-E60 VanDerWaalsContact ND2-CG 3.32Å; N57-E60 WeakPolarHBondContact ND2-CG 3.42Å; N57-E60 PolarHBondContact O-N 2.93Å; N57-E60 PolarHBondContact OD1-N 3.24Å; N57-A61 WeakPolarHBondContact O-CB 3.41Å; N57-A61 PolarHBondContact O-N 2.69Å; N57-A61 VanDerWaalsContact O-N 3.09Å | ||
| 58 | N | 91.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -24.8 | -179.8 | -72.8 | -22.6 | 0 | 0 | 0 | 113.9 | G56 R62 I92 | G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.15Å; N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.09Å; N58-I92 HydrophobicContact CB-CG2 3.82Å |
| 59 | L | 91.3 | Very high | 93 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.2 | -51.4 | -179.7 | -174.1 | 152.4 | 0 | 0 | 0 | 111 | N57 R62 K63 | N57-L59 PolarHBondContact O-N 2.97Å; N57-L59 PolarHBondContact OD1-N 3.43Å; L59-R62 PolarHBondContact O-N 3.09Å; L59-K63 PolarHBondContact O-N 3.47Å |
| 60 | E | 91.9 | Very high | 92.8 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.1 | -72.6 | -58.7 | 141.2 | 0 | 0 | 110.9 | Y52 N57 R62 K63 Y64 | Y52-E60 HydrophobicContact CD1-CB 3.68Å; Y52-E60 HydrophobicContact CD1-CG 4.4Å; Y52-E60 HydrophobicContact CD2-CB 4.18Å; Y52-E60 HydrophobicContact CE1-CB 3.94Å; Y52-E60 HydrophobicContact CE1-CG 4.27Å; Y52-E60 HydrophobicContact CE2-CB 4.46Å; Y52-E60 HydrophobicContact CG-CB 3.81Å; N57-E60 VanDerWaalsContact ND2-CG 3.32Å; N57-E60 WeakPolarHBondContact ND2-CG 3.42Å; N57-E60 PolarHBondContact O-N 2.93Å; N57-E60 PolarHBondContact OD1-N 3.24Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.18Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 IonicContact OE2-NZ 3.6Å; E60-Y64 WeakPolarHBondContact O-CD2 3.49Å; E60-Y64 PolarHBondContact O-N 2.93Å |
| 61 | A | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.8 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I53 N57 K63 Y64 L65 I92 | I53-A61 HydrophobicContact CD1-CB 4.38Å; I53-A61 HydrophobicContact CG1-CB 3.51Å; N57-A61 WeakPolarHBondContact O-CB 3.41Å; N57-A61 PolarHBondContact O-N 2.69Å; N57-A61 VanDerWaalsContact O-N 3.09Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 2.94Å; A61-Y64 PolarHBondContact O-N 3.32Å; A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.36Å; A61-L65 PolarHBondContact O-N 3.47Å; A61-I92 HydrophobicContact CB-CD1 3.91Å |
| 62 | R | 93.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 62.1 Ų | 62.1 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | 178.3 | -178.6 | 175.2 | 63.2 | -121.4 | -1.4 | 112.4 | N58 L59 E60 L65 V66 L89 | N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.09Å; L59-R62 PolarHBondContact O-N 3.09Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.18Å; R62-L65 PolarHBondContact O-N 2.97Å; R62-V66 HydrophobicContact CG-CG2 4.31Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.36Å; R62-V66 PolarHBondContact O-N 3.43Å; R62-L89 HydrophobicContact CB-CD2 4.38Å; R62-L89 HydrophobicContact CG-CD2 3.78Å |
| 63 | K | 94.2 | Very high | 92.3 | Very high | 119 Ų | 119 | 63 Ų | 63 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 178.6 | 179.8 | -174.1 | 170.9 | -168.4 | 0 | 111.2 | L59 E60 A61 V66 S67 | L59-K63 PolarHBondContact O-N 3.47Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 IonicContact OE2-NZ 3.6Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 2.94Å; K63-V66 PolarHBondContact O-N 2.79Å; K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 3.32Å |
| 64 | Y | 94 | Very high | 92.2 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 177.9 | -70.8 | -74.6 | 0 | 0 | 0 | 112.7 | H32 L45 L48 Y52 E60 A61 V66 S67 V68 | H32-Y64 PolarHBondContact CE1-OH 2.92Å; L45-Y64 HydrophobicContact CD2-CD1 3.85Å; L45-Y64 HydrophobicContact CD2-CE1 4.42Å; L48-Y64 HydrophobicContact CB-CD1 4.01Å; L48-Y64 HydrophobicContact CB-CD2 4.33Å; L48-Y64 HydrophobicContact CB-CE1 4.26Å; L48-Y64 HydrophobicContact CB-CG 4.05Å; L48-Y64 HydrophobicContact CD1-CD1 3.95Å; L48-Y64 HydrophobicContact CD1-CE1 3.64Å; L48-Y64 HydrophobicContact CG-CE1 4.49Å; Y52-Y64 AromaticContact CD2-CD2 3.67Å; Y52-Y64 HydrophobicContact CD2-CD2 3.67Å; Y52-Y64 AromaticContact CD2-CE2 3.63Å; Y52-Y64 HydrophobicContact CD2-CE2 3.63Å; Y52-Y64 AromaticContact CE2-CD2 3.74Å; Y52-Y64 HydrophobicContact CE2-CD2 3.74Å; Y52-Y64 AromaticContact CE2-CE2 3.19Å; Y52-Y64 HydrophobicContact CE2-CE2 3.19Å; Y52-Y64 AromaticContact CE2-CZ 3.96Å; E60-Y64 WeakPolarHBondContact O-CD2 3.49Å; E60-Y64 PolarHBondContact O-N 2.93Å; A61-Y64 PolarHBondContact O-N 3.32Å; Y64-V66 VanDerWaalsContact C-N 3.34Å; Y64-V66 PolarHBondContact O-N 3.09Å; Y64-S67 WeakPolarHBondContact O-CB 3.44Å; Y64-S67 PolarHBondContact O-N 3.1Å; Y64-V68 PolarHBondContact O-N 3.37Å; Y64-V68 VanDerWaalsContact O-N 3.09Å |
| 65 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.4 | -67.3 | 169.9 | 0 | 0 | 0 | 112.2 | L46 A49 A61 R62 V68 L69 T85 L88 L89 I92 | L46-L65 HydrophobicContact CD1-CD2 3.93Å; A49-L65 HydrophobicContact CB-CD1 4.46Å; A49-L65 HydrophobicContact CB-CD2 3.59Å; A49-L65 HydrophobicContact CB-CG 3.64Å; A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.36Å; A61-L65 PolarHBondContact O-N 3.47Å; R62-L65 PolarHBondContact O-N 2.97Å; L65-V68 WeakPolarHBondContact O-CB 3.37Å; L65-V68 PolarHBondContact O-N 3.07Å; L65-L69 PolarHBondContact O-N 3.29Å; L65-T85 HydrophobicContact CB-CG2 3.85Å; L65-T85 HydrophobicContact CD2-CG2 3.79Å; L65-T85 HydrophobicContact CG-CG2 4.4Å; L65-T85 WeakPolarHBondContact O-CG2 3.18Å; L65-L88 HydrophobicContact CD1-CB 3.87Å; L65-L88 HydrophobicContact CD2-CB 4.12Å; L65-L88 HydrophobicContact CD2-CD1 3.97Å; L65-L89 HydrophobicContact CB-CD1 4.18Å; L65-L89 HydrophobicContact CB-CD2 3.68Å; L65-L89 HydrophobicContact CB-CG 3.79Å; L65-L89 HydrophobicContact CD1-CD2 3.79Å; L65-L89 HydrophobicContact CD1-CG 3.9Å; L65-L89 HydrophobicContact CG-CD2 4.39Å; L65-L89 HydrophobicContact CG-CG 4.43Å; L65-I92 HydrophobicContact CD1-CD1 3.61Å |
| 66 | V | 94.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.376 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | R62 K63 Y64 V68 L69 E70 | R62-V66 HydrophobicContact CG-CG2 4.31Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.36Å; R62-V66 PolarHBondContact O-N 3.43Å; K63-V66 PolarHBondContact O-N 2.79Å; Y64-V66 VanDerWaalsContact C-N 3.34Å; Y64-V66 PolarHBondContact O-N 3.09Å; V66-V68 PolarHBondContact O-N 2.9Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.4Å; V66-E70 PolarHBondContact O-N 3.17Å |
| 67 | S | 93.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.4 | -34.7 | 174.8 | -60 | 0 | 0 | 0 | 0 | 112.7 | K63 Y64 E70 | K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 3.32Å; Y64-S67 WeakPolarHBondContact O-CB 3.44Å; Y64-S67 PolarHBondContact O-N 3.1Å; S67-E70 PolarHBondContact O-N 3.02Å |
| 68 | V | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.6 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | I42 L45 Y64 L65 V66 E70 I71 I82 T85 | I42-V68 HydrophobicContact CG2-CG1 3.76Å; L45-V68 HydrophobicContact CB-CG2 3.46Å; L45-V68 VanDerWaalsContact CB-CG2 3.46Å; L45-V68 HydrophobicContact CD1-CG2 4.14Å; L45-V68 HydrophobicContact CG-CG2 4.49Å; Y64-V68 PolarHBondContact O-N 3.37Å; Y64-V68 VanDerWaalsContact O-N 3.09Å; L65-V68 WeakPolarHBondContact O-CB 3.37Å; L65-V68 PolarHBondContact O-N 3.07Å; V66-V68 PolarHBondContact O-N 2.9Å; V68-E70 PolarHBondContact O-N 3.36Å; V68-I71 PolarHBondContact O-N 3.11Å; V68-I71 VanDerWaalsContact O-N 3.16Å; V68-I82 HydrophobicContact CG1-CG1 4.37Å; V68-T85 HydrophobicContact CB-CG2 3.99Å; V68-T85 HydrophobicContact CG1-CG2 4.03Å; V68-T85 VanDerWaalsContact CG1-OG1 3.29Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å |
| 69 | L | 92.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 73.5 Ų | 73.5 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.2 | -19.1 | 179.5 | -63.6 | -178.5 | 0 | 0 | 0 | 113.7 | L65 V66 I71 I82 T85 Q86 L89 | L65-L69 PolarHBondContact O-N 3.29Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.4Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I82 HydrophobicContact CD2-CG2 3.95Å; L69-T85 HydrophobicContact CD2-CG2 3.8Å; L69-T85 HydrophobicContact CG-CG2 3.89Å; L69-Q86 HydrophobicContact CD2-CG 4.02Å; L69-L89 HydrophobicContact CD1-CD1 3.52Å; L69-L89 HydrophobicContact CG-CD1 4.36Å |
| 70 | E | 92.2 | Very high | 92.8 | Very high | 151 Ų | 151 | 71.2 Ų | 71.2 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.2 | 176.1 | -67.2 | 176.7 | 173.8 | 0 | 0 | 112.5 | V66 S67 V68 | V66-E70 PolarHBondContact O-N 3.17Å; S67-E70 PolarHBondContact O-N 3.02Å; V68-E70 PolarHBondContact O-N 3.36Å |
| 71 | I | 91.2 | Very high | 92.9 | Very high | 45 Ų | 45 | 69.5 Ų | 69.5 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -84.6 | 138 | -179.8 | -59.1 | 163.4 | 0 | 0 | 0 | 110.1 | G40 I42 L45 V68 L69 | G40-I71 WeakPolarHBondContact O-CD1 3Å; I42-I71 HydrophobicContact CD1-CB 4.1Å; I42-I71 HydrophobicContact CD1-CG2 3.68Å; I42-I71 HydrophobicContact CG1-CB 3.95Å; I42-I71 HydrophobicContact CG1-CD1 3.71Å; I42-I71 HydrophobicContact CG1-CG1 4.45Å; I42-I71 HydrophobicContact CG1-CG2 3.72Å; L45-I71 HydrophobicContact CD1-CD1 3.54Å; V68-I71 PolarHBondContact O-N 3.11Å; V68-I71 VanDerWaalsContact O-N 3.16Å; L69-I71 VanDerWaalsContact C-N 3.34Å |
| 72 | T | 90.5 | Very high | 92.9 | Very high | 112 Ų | 112 | 70.7 Ų | 70.7 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 122.2 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | I74 | T72-I74 PolarHBondContact O-N 3.28Š|
| 73 | P | 90.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 130.7 | 177.7 | 26.4 | -32.2 | 0 | 0 | 0 | 110.7 | D78 K79 I82 | P73-D78 HydrophobicContact CB-CB 3.57Å; P73-K79 HydrophobicContact CB-CG 3.9Å; P73-K79 HydrophobicContact CG-CG 4.25Å; P73-I82 HydrophobicContact CB-CD1 3.66Å; P73-I82 HydrophobicContact CG-CD1 3.64Å |
| 74 | I | 91.1 | Very high | 93 | Very high | 158 Ų | 158 | 66.9 Ų | 66.9 | 81% | 0.81 | 36% | 0.357 | S | S | * | . | trans | -95.5 | -43.5 | -179.5 | -59.3 | 173.6 | 0 | 0 | 0 | 110 | T72 D78 | T72-I74 PolarHBondContact O-N 3.28Å; I74-D78 WeakPolarHBondContact CA-OD2 3.48Å; I74-D78 WeakPolarHBondContact CB-OD2 3.2Å; I74-D78 PolarHBondContact N-OD2 3.17Å | ||
| 75 | D | 92.9 | Very high | 93 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -121.3 | -175 | -176.6 | 73.9 | 11.2 | 0 | 0 | 0 | 113.2 | M77 D78 K79 | D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 WeakPolarHBondContact OD1-CA 3.34Å; D75-M77 VanDerWaalsContact OD1-CB 3.28Å; D75-M77 WeakPolarHBondContact OD1-CB 3.46Å; D75-M77 PolarHBondContact OD1-N 3.16Å; D75-D78 PolarHBondContact N-OD2 2.9Å; D75-D78 VanDerWaalsContact OD1-CG 3.29Å; D75-D78 PolarHBondContact OD1-N 3.36Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.43Å |
| 76 | E | 93.1 | Very high | 93 | Very high | 133 Ų | 133 | 70.2 Ų | 70.2 | 62% | 0.621 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74 | -24 | 179.1 | -160.8 | 62 | -160.4 | 0 | 0 | 112.3 | K79 A80 | E76-K79 IonicContact OE2-NZ 2.8Å; E76-K79 PolarHBondContact OE2-NZ 3Å; E76-A80 PolarHBondContact O-N 3.27Å; E76-A80 VanDerWaalsContact O-N 3.1Å |
| 77 | M | 92.2 | Very high | 93 | Very high | 111 Ų | 111 | 73.5 Ų | 73.5 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.8 | -47.4 | 175.6 | -175.6 | 62.2 | 70.9 | 0 | 0 | 110 | D75 K79 A80 Q81 | D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 WeakPolarHBondContact OD1-CA 3.34Å; D75-M77 VanDerWaalsContact OD1-CB 3.28Å; D75-M77 WeakPolarHBondContact OD1-CB 3.46Å; D75-M77 PolarHBondContact OD1-N 3.16Å; M77-K79 VanDerWaalsContact C-N 3.26Å; M77-K79 PolarHBondContact O-N 2.69Å; M77-A80 WeakPolarHBondContact O-CA 3.29Å; M77-A80 WeakPolarHBondContact O-CB 3.46Å; M77-A80 PolarHBondContact O-N 3.18Å; M77-Q81 HydrophobicContact CG-CG 4.5Å; M77-Q81 WeakPolarHBondContact O-CG 3.32Å; M77-Q81 PolarHBondContact O-N 3.32Å |
| 78 | D | 92.7 | Very high | 93 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 177.2 | -65.2 | -23.1 | 0 | 0 | 0 | 111 | I42 P73 I74 D75 Q81 I82 | I42-D78 HydrophobicContact CD1-CB 3.74Å; P73-D78 HydrophobicContact CB-CB 3.57Å; I74-D78 WeakPolarHBondContact CA-OD2 3.48Å; I74-D78 WeakPolarHBondContact CB-OD2 3.2Å; I74-D78 PolarHBondContact N-OD2 3.17Å; D75-D78 PolarHBondContact N-OD2 2.9Å; D75-D78 VanDerWaalsContact OD1-CG 3.29Å; D75-D78 PolarHBondContact OD1-N 3.36Å; D78-Q81 PolarHBondContact O-N 3.32Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.3Å; D78-I82 PolarHBondContact O-N 3.23Å |
| 79 | K | 93.2 | Very high | 93 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.4 | -67.2 | -179.3 | -155.1 | 156 | 0 | 111.9 | P73 D75 E76 M77 Q81 I82 V83 | P73-K79 HydrophobicContact CB-CG 3.9Å; P73-K79 HydrophobicContact CG-CG 4.25Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.43Å; E76-K79 IonicContact OE2-NZ 2.8Å; E76-K79 PolarHBondContact OE2-NZ 3Å; M77-K79 VanDerWaalsContact C-N 3.26Å; M77-K79 PolarHBondContact O-N 2.69Å; K79-Q81 PolarHBondContact O-N 2.99Å; K79-I82 PolarHBondContact O-N 3Å; K79-V83 WeakPolarHBondContact O-CG2 3.31Å; K79-V83 PolarHBondContact O-N 3.27Å |
| 80 | A | 94.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 M77 V83 E84 | E76-A80 PolarHBondContact O-N 3.27Å; E76-A80 VanDerWaalsContact O-N 3.1Å; M77-A80 WeakPolarHBondContact O-CA 3.29Å; M77-A80 WeakPolarHBondContact O-CB 3.46Å; M77-A80 PolarHBondContact O-N 3.18Å; A80-V83 PolarHBondContact O-N 3.01Å; A80-E84 PolarHBondContact O-N 3.09Å |
| 81 | Q | 93.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.6 | -35.7 | 177.5 | -70.6 | 173.7 | -30.7 | 0 | 0 | 113.2 | I42 D43 L46 M77 D78 K79 V83 E84 T85 | I42-Q81 HydrophobicContact CG2-CB 3.72Å; I42-Q81 HydrophobicContact CG2-CG 4.42Å; D43-Q81 VanDerWaalsContact CG-NE2 3.34Å; D43-Q81 VanDerWaalsContact OD1-CD 3.28Å; D43-Q81 PolarHBondContact OD1-NE2 3.26Å; D43-Q81 PolarHBondContact OD1-OE1 3.22Å; D43-Q81 VanDerWaalsContact OD1-OE1 3.11Å; L46-Q81 HydrophobicContact CD2-CB 3.98Å; L46-Q81 HydrophobicContact CD2-CG 3.91Å; M77-Q81 HydrophobicContact CG-CG 4.5Å; M77-Q81 WeakPolarHBondContact O-CG 3.32Å; M77-Q81 PolarHBondContact O-N 3.32Å; D78-Q81 PolarHBondContact O-N 3.32Å; K79-Q81 PolarHBondContact O-N 2.99Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; Q81-E84 PolarHBondContact O-N 3.25Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.37Å; Q81-T85 PolarHBondContact O-N 3.22Å; Q81-T85 PolarHBondContact O-OG1 3.35Å |
| 82 | I | 93.9 | Very high | 93 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 171.4 | -71.7 | 171.2 | 0 | 0 | 0 | 110.3 | V68 L69 P73 D78 K79 T85 Q86 | V68-I82 HydrophobicContact CG1-CG1 4.37Å; L69-I82 HydrophobicContact CD2-CG2 3.95Å; P73-I82 HydrophobicContact CB-CD1 3.66Å; P73-I82 HydrophobicContact CG-CD1 3.64Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.3Å; D78-I82 PolarHBondContact O-N 3.23Å; K79-I82 PolarHBondContact O-N 3Å; I82-T85 WeakPolarHBondContact O-CB 3.29Å; I82-T85 PolarHBondContact O-N 3.25Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.29Å |
| 83 | V | 94.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | K79 A80 Q81 T85 Q86 Q87 | K79-V83 WeakPolarHBondContact O-CG2 3.31Å; K79-V83 PolarHBondContact O-N 3.27Å; A80-V83 PolarHBondContact O-N 3.01Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.31Å; V83-Q86 PolarHBondContact O-N 3.38Å; V83-Q87 WeakPolarHBondContact O-CG 3.37Å; V83-Q87 PolarHBondContact O-N 3.27Å; V83-Q87 VanDerWaalsContact O-N 3.11Å |
| 84 | E | 94.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 174.9 | -174.6 | 176.4 | -167.3 | 0 | 0 | 111.5 | L46 K50 A80 Q81 Q86 Q87 L88 | L46-E84 WeakPolarHBondContact CD2-OE2 3.4Å; K50-E84 WeakPolarHBondContact CE-OE1 3.5Å; K50-E84 IonicContact NZ-OE1 2.71Å; K50-E84 PolarHBondContact NZ-OE1 3.2Å; K50-E84 IonicContact NZ-OE2 3.95Å; K50-E84 PolarHBondContact NZ-OE2 3.33Å; A80-E84 PolarHBondContact O-N 3.09Å; Q81-E84 PolarHBondContact O-N 3.25Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 2.77Å; E84-Q87 WeakPolarHBondContact O-CB 3.49Å; E84-Q87 PolarHBondContact O-N 3.39Å; E84-Q87 VanDerWaalsContact O-N 3.17Å; E84-L88 HydrophobicContact CG-CD1 4.27Å; E84-L88 HydrophobicContact CG-CG 4.47Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.39Å |
| 85 | T | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.2 | -64 | 0 | 0 | 0 | 0 | 111.3 | L65 V68 L69 Q81 I82 V83 L88 L89 | L65-T85 HydrophobicContact CB-CG2 3.85Å; L65-T85 HydrophobicContact CD2-CG2 3.79Å; L65-T85 HydrophobicContact CG-CG2 4.4Å; L65-T85 WeakPolarHBondContact O-CG2 3.18Å; V68-T85 HydrophobicContact CB-CG2 3.99Å; V68-T85 HydrophobicContact CG1-CG2 4.03Å; V68-T85 VanDerWaalsContact CG1-OG1 3.29Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å; L69-T85 HydrophobicContact CD2-CG2 3.8Å; L69-T85 HydrophobicContact CG-CG2 3.89Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.37Å; Q81-T85 PolarHBondContact O-N 3.22Å; Q81-T85 PolarHBondContact O-OG1 3.35Å; I82-T85 WeakPolarHBondContact O-CB 3.29Å; I82-T85 PolarHBondContact O-N 3.25Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.31Å; T85-L88 PolarHBondContact O-N 3.11Å; T85-L89 HydrophobicContact CG2-CD1 4.33Å; T85-L89 WeakPolarHBondContact O-CG 3.29Å; T85-L89 PolarHBondContact O-N 3.05Å |
| 86 | Q | 94.6 | Very high | 91.3 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.8 | -70.4 | 172.7 | -7.4 | 0 | 0 | 111.6 | L69 I82 V83 E84 L88 L89 T90 | L69-Q86 HydrophobicContact CD2-CG 4.02Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.29Å; V83-Q86 PolarHBondContact O-N 3.38Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 2.77Å; Q86-L88 PolarHBondContact O-N 2.64Å; Q86-L89 PolarHBondContact O-N 3.31Å; Q86-T90 PolarHBondContact O-N 3.05Å; Q86-T90 PolarHBondContact O-OG1 3.23Å |
| 87 | Q | 94.7 | Very high | 90.4 | Very high | 130 Ų | 130 | 62 Ų | 62 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 176.9 | -68.5 | 174.1 | -9 | 0 | 0 | 111.8 | V83 E84 T90 A91 | V83-Q87 WeakPolarHBondContact O-CG 3.37Å; V83-Q87 PolarHBondContact O-N 3.27Å; V83-Q87 VanDerWaalsContact O-N 3.11Å; E84-Q87 WeakPolarHBondContact O-CB 3.49Å; E84-Q87 PolarHBondContact O-N 3.39Å; E84-Q87 VanDerWaalsContact O-N 3.17Å; Q87-T90 PolarHBondContact O-N 3.09Å; Q87-A91 WeakPolarHBondContact O-CB 3.33Å; Q87-A91 PolarHBondContact O-N 3.45Å |
| 88 | L | 93.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.4 | -69.9 | 174.2 | 0 | 0 | 0 | 112.2 | L46 K50 I53 L65 E84 T85 Q86 A91 I92 | L46-L88 HydrophobicContact CD1-CD1 3.84Å; K50-L88 HydrophobicContact CG-CD1 4.15Å; I53-L88 HydrophobicContact CD1-CB 4.31Å; I53-L88 HydrophobicContact CD1-CD1 4.34Å; I53-L88 HydrophobicContact CD1-CD2 3.97Å; I53-L88 HydrophobicContact CD1-CG 4.44Å; L65-L88 HydrophobicContact CD1-CB 3.87Å; L65-L88 HydrophobicContact CD2-CB 4.12Å; L65-L88 HydrophobicContact CD2-CD1 3.97Å; E84-L88 HydrophobicContact CG-CD1 4.27Å; E84-L88 HydrophobicContact CG-CG 4.47Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.39Å; T85-L88 PolarHBondContact O-N 3.11Å; Q86-L88 PolarHBondContact O-N 2.64Å; L88-A91 PolarHBondContact O-N 2.94Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 2.91Å |
| 89 | L | 93.4 | Very high | 87.3 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.7 | -77.6 | 170.8 | 0 | 0 | 0 | 111.5 | R62 L65 L69 T85 Q86 A91 I92 T93 | R62-L89 HydrophobicContact CB-CD2 4.38Å; R62-L89 HydrophobicContact CG-CD2 3.78Å; L65-L89 HydrophobicContact CB-CD1 4.18Å; L65-L89 HydrophobicContact CB-CD2 3.68Å; L65-L89 HydrophobicContact CB-CG 3.79Å; L65-L89 HydrophobicContact CD1-CD2 3.79Å; L65-L89 HydrophobicContact CD1-CG 3.9Å; L65-L89 HydrophobicContact CG-CD2 4.39Å; L65-L89 HydrophobicContact CG-CG 4.43Å; L69-L89 HydrophobicContact CD1-CD1 3.52Å; L69-L89 HydrophobicContact CG-CD1 4.36Å; T85-L89 HydrophobicContact CG2-CD1 4.33Å; T85-L89 WeakPolarHBondContact O-CG 3.29Å; T85-L89 PolarHBondContact O-N 3.05Å; Q86-L89 PolarHBondContact O-N 3.31Å; L89-A91 PolarHBondContact O-N 3.39Å; L89-I92 PolarHBondContact O-N 2.79Å; L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.96Å; L89-T93 PolarHBondContact O-OG1 3.36Å |
| 90 | T | 93.1 | Very high | 85.7 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 175 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | Q86 Q87 I92 T93 E94 | Q86-T90 PolarHBondContact O-N 3.05Å; Q86-T90 PolarHBondContact O-OG1 3.23Å; Q87-T90 PolarHBondContact O-N 3.09Å; T90-I92 PolarHBondContact O-N 3.28Å; T90-T93 WeakPolarHBondContact CA-OG1 3.28Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.89Å; T90-E94 HydrophobicContact CG2-CG 4.41Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.49Å; T90-E94 WeakPolarHBondContact O-CG 3.18Å; T90-E94 PolarHBondContact O-N 3.03Å |
| 91 | A | 91.6 | Very high | 83.9 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q87 L88 L89 T93 E94 C95 | Q87-A91 WeakPolarHBondContact O-CB 3.33Å; Q87-A91 PolarHBondContact O-N 3.45Å; L88-A91 PolarHBondContact O-N 2.94Å; L89-A91 PolarHBondContact O-N 3.39Å; A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.35Å; A91-E94 PolarHBondContact O-N 3.29Å; A91-C95 WeakPolarHBondContact O-CB 3.39Å; A91-C95 PolarHBondContact O-N 3.3Å |
| 92 | I | 89.7 | Confident | 82 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.1 | -70.5 | 167.4 | 0 | 0 | 0 | 110.9 | I53 N58 A61 L65 L88 L89 T90 N96 | I53-I92 HydrophobicContact CD1-CD1 3.94Å; I53-I92 HydrophobicContact CD1-CG1 4.43Å; I53-I92 HydrophobicContact CG1-CD1 3.97Å; I53-I92 HydrophobicContact CG1-CG1 4.42Å; N58-I92 HydrophobicContact CB-CG2 3.82Å; A61-I92 HydrophobicContact CB-CD1 3.91Å; L65-I92 HydrophobicContact CD1-CD1 3.61Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 2.91Å; L89-I92 PolarHBondContact O-N 2.79Å; T90-I92 PolarHBondContact O-N 3.28Å; I92-N96 VanDerWaalsContact O-CG 3.26Å; I92-N96 PolarHBondContact O-N 3.36Å; I92-N96 PolarHBondContact O-ND2 3.4Å; I92-N96 VanDerWaalsContact O-ND2 3.1Å |
| 93 | T | 89.1 | Confident | 80.2 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.8 | -35.4 | 178.9 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | L89 T90 A91 K97 | L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.96Å; L89-T93 PolarHBondContact O-OG1 3.36Å; T90-T93 WeakPolarHBondContact CA-OG1 3.28Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.89Å; A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.35Å; T93-K97 WeakPolarHBondContact O-CG 3.29Å; T93-K97 PolarHBondContact O-N 3.1Å |
| 94 | E | 88 | Confident | 78.2 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 177 | -72.2 | 176 | 177 | 0 | 0 | 111.8 | T90 A91 N96 K97 Q98 | T90-E94 HydrophobicContact CG2-CG 4.41Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.49Å; T90-E94 WeakPolarHBondContact O-CG 3.18Å; T90-E94 PolarHBondContact O-N 3.03Å; A91-E94 PolarHBondContact O-N 3.29Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 2.71Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.13Å; E94-Q98 PolarHBondContact O-N 3Å |
| 95 | C | 78.6 | Confident | 76.1 | Confident | 49 Ų | 49 | 86 Ų | 86 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 175.7 | -179 | 0 | 0 | 0 | 0 | 112 | A91 Q98 N99 | A91-C95 WeakPolarHBondContact O-CB 3.39Å; A91-C95 PolarHBondContact O-N 3.3Å; C95-Q98 PolarHBondContact O-N 3.01Å; C95-N99 PolarHBondContact O-N 2.92Å |
| 96 | N | 74.4 | Confident | 74.1 | Confident | 53 Ų | 53 | 93 Ų | 93 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 177 | -67.8 | -28.7 | 0 | 0 | 0 | 112.6 | I92 E94 N99 E100 | I92-N96 VanDerWaalsContact O-CG 3.26Å; I92-N96 PolarHBondContact O-N 3.36Å; I92-N96 PolarHBondContact O-ND2 3.4Å; I92-N96 VanDerWaalsContact O-ND2 3.1Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 2.71Å; N96-N99 PolarHBondContact O-N 3.4Å; N96-E100 PolarHBondContact O-N 3.27Å |
| 97 | K | 72.6 | Confident | 72 | Confident | 128 Ų | 128 | 96.2 Ų | 96.2 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | 176.7 | -71.5 | 173.5 | -177.8 | 176.4 | 0 | 112.1 | T93 E94 N99 E100 E101 | T93-K97 WeakPolarHBondContact O-CG 3.29Å; T93-K97 PolarHBondContact O-N 3.1Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.13Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 3.22Å; K97-E100 PolarHBondContact O-N 2.85Å; K97-E100 VanDerWaalsContact O-N 3.14Å; K97-E101 PolarHBondContact O-N 3.3Å |
| 98 | Q | 61.3 | Low | 69.9 | Low | 123 Ų | 123 | 97.5 Ų | 97.5 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -37.6 | 178.1 | -69.4 | 176.3 | -17 | 0 | 0 | 112 | E94 C95 E100 E101 T102 | E94-Q98 PolarHBondContact O-N 3Å; C95-Q98 PolarHBondContact O-N 3.01Å; Q98-E100 VanDerWaalsContact C-N 3.34Å; Q98-E101 PolarHBondContact O-N 2.8Å; Q98-T102 PolarHBondContact O-N 3.25Å; Q98-T102 PolarHBondContact O-OG1 3.29Å |
| 99 | N | 58.6 | Low | 67.7 | Low | 82 Ų | 82 | 102.7 Ų | 102.7 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 175.5 | -71.7 | -18.5 | 0 | 0 | 0 | 112.8 | C95 N96 K97 R103 | C95-N99 PolarHBondContact O-N 2.92Å; N96-N99 PolarHBondContact O-N 3.4Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 3.22Å; N99-R103 WeakPolarHBondContact O-CG 3.46Å; N99-R103 PolarHBondContact O-N 3.04Å |
| 100 | E | 59.4 | Low | 66 | Low | 138 Ų | 138 | 107.3 Ų | 107.3 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.2 | -37.2 | 174.1 | -72.6 | -176.9 | 179.6 | 0 | 0 | 112.2 | N96 K97 Q98 K104 | N96-E100 PolarHBondContact O-N 3.27Å; K97-E100 PolarHBondContact O-N 2.85Å; K97-E100 VanDerWaalsContact O-N 3.14Å; Q98-E100 VanDerWaalsContact C-N 3.34Å; E100-K104 PolarHBondContact O-N 2.75Å |
| 101 | E | 57.5 | Low | 63.7 | Low | 140 Ų | 140 | 111.5 Ų | 111.5 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -38.4 | 175.8 | -72 | 176.1 | 174 | 0 | 0 | 111.9 | K97 Q98 K104 S105 | K97-E101 PolarHBondContact O-N 3.3Å; Q98-E101 PolarHBondContact O-N 2.8Å; E101-K104 PolarHBondContact O-N 3.26Å; E101-S105 PolarHBondContact O-N 3.44Å; E101-S105 PolarHBondContact O-OG 3.16Å |
| 102 | T | 55.1 | Low | 62 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -37.6 | 179.9 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | Q98 K104 S105 E106 | Q98-T102 PolarHBondContact O-N 3.25Å; Q98-T102 PolarHBondContact O-OG1 3.29Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 3.28Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 3.18Å; T102-E106 WeakPolarHBondContact O-CG 3.49Å; T102-E106 PolarHBondContact O-N 3.28Å |
| 103 | R | 54.3 | Low | 60.2 | Low | 181 Ų | 181 | 122.2 Ų | 122.2 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.9 | -30.4 | 173.7 | -76.6 | -178.9 | -178.5 | 160.8 | 1.9 | 113.4 | N99 | N99-R103 WeakPolarHBondContact O-CG 3.46Å; N99-R103 PolarHBondContact O-N 3.04Å |
| 104 | K | 52.7 | Low | 58.8 | Low | 170 Ų | 170 | 127.9 Ų | 127.9 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.5 | -29.3 | 178.2 | -116.2 | 175.3 | -179.2 | 175.7 | 0 | 113.2 | E100 E101 T102 | E100-K104 PolarHBondContact O-N 2.75Å; E101-K104 PolarHBondContact O-N 3.26Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 3.28Å |
| 105 | S | 51.9 | Low | 56.8 | Low | 71 Ų | 71 | 128.8 Ų | 128.8 | 50% | 0.497 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.4 | -23.2 | 174.1 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | E101 T102 | E101-S105 PolarHBondContact O-N 3.44Å; E101-S105 PolarHBondContact O-OG 3.16Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 3.18Å |
| 106 | E | 51.5 | Low | 55.7 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -85.4 | -13.9 | -178 | -71 | 174.3 | 170.1 | 0 | 0 | 113.9 | T102 | T102-E106 WeakPolarHBondContact O-CG 3.49Å; T102-E106 PolarHBondContact O-N 3.28Å |
| 107 | E | 52 | Low | 54.4 | Low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 9.7 | 177 | -72 | -173.4 | 170.7 | 0 | 0 | 113.9 | ||
| 108 | M | 49.8 | Very low | 53.6 | Low | 158 Ų | 158 | 139.2 Ų | 139.2 | 78% | 0.778 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -118.3 | 36.4 | -176.1 | -148.8 | 175.2 | 66.5 | 0 | 0 | 112.8 | ||
| 109 | D | 47.7 | Very low | 53.1 | Low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -139.3 | 43.9 | 174 | -79.5 | -40.5 | 0 | 0 | 0 | 111.3 | ||
| 110 | T | 56.2 | Low | 53.2 | Low | 126 Ų | 126 | 142.2 Ų | 142.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -150.6 | 60 | 170.7 | 60 | 0 | 0 | 0 | 0 | 112.7 | ||
| 111 | D | 46.7 | Very low | 53.1 | Low | 161 Ų | 161 | 142.5 Ų | 142.5 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -173.4 | 88 | 152.5 | -126.1 | -10 | 0 | 0 | 0 | 110 | ||||
| 112 | S | 53.9 | Low | 53.2 | Low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -161.5 | 83.9 | 166.7 | -71.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 113 | D | 53.7 | Low | 53.1 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | -149.2 | 116.2 | 129.8 | -110.2 | -19.7 | 0 | 0 | 0 | 109.7 | |||||
| 114 | E | 58.3 | Low | 53.7 | Low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 150.3 | -174.5 | -67.1 | -168.2 | 142.1 | 0 | 0 | 111.9 | ||||
| 115 | T | 46.7 | Very low | 54.4 | Low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -38.2 | 129.5 | 158.1 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 116 | E | 56.4 | Low | 55.2 | Low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -163 | 97.9 | 144.1 | -106.1 | 174.6 | -154.9 | 0 | 0 | 107.8 | ||||
| 117 | N | 46.5 | Very low | 55.4 | Low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | 57.5 | 97.9 | 99.1 | -171.8 | 52 | 0 | 0 | 0 | 114.2 | |||||
| 118 | S | 55.1 | Low | 55.8 | Low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | -176.8 | 124.1 | 124.6 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 119 | T | 50.8 | Low | 56.3 | Low | 128 Ų | 128 | 153.7 Ų | 153.7 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -78.1 | 128.6 | 168.7 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 120 | D | 60.5 | Low | 56.7 | Low | 140 Ų | 140 | 154.1 Ų | 154.1 | 75% | 0.749 | 84% | 0.835 | S | S | * | * | trans | -160.9 | 103.6 | 152.3 | -145.1 | 25.2 | 0 | 0 | 0 | 107.6 | ||||
| 121 | L | 57.4 | Low | 56.7 | Low | 145 Ų | 145 | 155.6 Ų | 155.6 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | 50.8 | 120.3 | 96.1 | -75.3 | 156 | 0 | 0 | 0 | 111.1 | |||||
| 122 | T | 61.1 | Low | 57.3 | Low | 115 Ų | 115 | 155.3 Ų | 155.3 | 71% | 0.706 | 84% | 0.836 | S | S | * | * | cis | -169.1 | 140.9 | 41.9 | 39 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 123 | I | 52.5 | Low | 57.5 | Low | 158 Ų | 158 | 157.8 Ų | 157.8 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -95.6 | 110 | 163.9 | -65.3 | 171.2 | 0 | 0 | 0 | 106.3 | Y125 | I123-Y125 HydrophobicContact CG2-CD2 3.87Å; I123-Y125 HydrophobicContact CG2-CE2 4.14Å | ||
| 124 | S | 66.6 | Low | 57.7 | Low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 84% | 0.835 | S | S | * | * | trans | -112.9 | 113.8 | 163.1 | 55.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 125 | Y | 67.5 | Low | 57.7 | Low | 221 Ų | 221 | 155.3 Ų | 155.3 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 122 | 162.3 | -93.3 | -94.5 | 0 | 0 | 0 | 107.5 | I123 | I123-Y125 HydrophobicContact CG2-CD2 3.87Å; I123-Y125 HydrophobicContact CG2-CE2 4.14Å |
| 126 | S | 68 | Low | 58.4 | Low | 115 Ų | 115 | 157.3 Ų | 157.3 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -88 | 118.8 | 171.1 | -43.1 | 0 | 0 | 0 | 0 | 109 | ||
| 127 | E | 56.3 | Low | 58.6 | Low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 129.7 | 155.5 | -76.9 | -179.8 | 146.5 | 0 | 0 | 107.9 | ||
| 128 | E | 60.9 | Low | 59.6 | Low | 192 Ų | 192 | 155.3 Ų | 155.3 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | 177.4 | 107.3 | 145.2 | -103.1 | 175.8 | -170.1 | 0 | 0 | 111 | ||||
| 129 | L | 59 | Low | 60 | Low | 251 Ų | 251 | 159.4 Ų | 159.4 | 100% | 1.314 | 84% | 0.842 | S | S | * | * | trans | -162.8 | 0 | 144.3 | -110 | 160.4 | 0 | 0 | 0 | 109.6 |
Retrieved 129 of 129 residues in 362.9 ms
(Link to these results)