| 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 | 54.2 | Low | 79.2 | Confident | 218 Ų | 218 | 120.5 Ų | 120.5 | 100% | 1.074 | 62% | 0.615 | S | S | * | * | 0 | 136.3 | 0 | -66.7 | -165.7 | -161.8 | 0 | 0 | 107.9 | |||||
| 2 | S | 64.1 | Low | 80.2 | Confident | 74 Ų | 74 | 123.3 Ų | 123.3 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | trans | -73.6 | 135.8 | -178 | -163.9 | 0 | 0 | 0 | 0 | 110.1 | A4 K5 Q6 | S2-A4 PolarHBondContact O-N 3.02Å; S2-A4 VanDerWaalsContact O-N 3.14Å; S2-K5 WeakPolarHBondContact O-CB 3.5Å; S2-K5 PolarHBondContact O-N 3.14Å; S2-Q6 PolarHBondContact O-N 3.44Å | ||
| 3 | T | 80.1 | Confident | 81.1 | Confident | 103 Ų | 103 | 120.8 Ų | 120.8 | 63% | 0.632 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -51.4 | -37.5 | -179.6 | 49.1 | 0 | 0 | 0 | 0 | 112 | K5 Q6 E7 | T3-K5 VanDerWaalsContact C-N 3.33Å; T3-K5 PolarHBondContact O-N 3.38Å; T3-Q6 WeakPolarHBondContact O-CB 3.38Å; T3-Q6 PolarHBondContact O-N 3.14Å; T3-Q6 VanDerWaalsContact O-N 3.14Å; T3-E7 PolarHBondContact O-N 2.91Å |
| 4 | A | 78.5 | Confident | 81.8 | Confident | 54 Ų | 54 | 118.8 Ų | 118.8 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.5 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | S2 V8 | S2-A4 PolarHBondContact O-N 3.02Å; S2-A4 VanDerWaalsContact O-N 3.14Å; A4-V8 WeakPolarHBondContact O-CG2 3.39Å; A4-V8 PolarHBondContact O-N 3.37Å |
| 5 | K | 81 | Confident | 82.4 | Confident | 151 Ų | 151 | 117.3 Ų | 117.3 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.1 | -37.6 | 176.4 | -70.6 | -172.4 | 175.3 | -175.2 | 0 | 111.1 | S2 T3 V8 E9 | S2-K5 WeakPolarHBondContact O-CB 3.5Å; S2-K5 PolarHBondContact O-N 3.14Å; T3-K5 VanDerWaalsContact C-N 3.33Å; T3-K5 PolarHBondContact O-N 3.38Å; K5-V8 PolarHBondContact O-N 2.88Å; K5-E9 PolarHBondContact O-N 3.45Å; K5-E9 VanDerWaalsContact O-N 3.13Å |
| 6 | Q | 81.9 | Confident | 83 | Confident | 105 Ų | 105 | 116.2 Ų | 116.2 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.2 | -36.2 | 179.2 | -169.9 | 167.8 | 1.2 | 0 | 0 | 112.1 | S2 T3 E9 N10 | S2-Q6 PolarHBondContact O-N 3.44Å; T3-Q6 WeakPolarHBondContact O-CB 3.38Å; T3-Q6 PolarHBondContact O-N 3.14Å; T3-Q6 VanDerWaalsContact O-N 3.14Å; Q6-E9 PolarHBondContact O-N 3.13Å; Q6-N10 WeakPolarHBondContact O-CB 3.5Å; Q6-N10 VanDerWaalsContact O-CG 3.23Å; Q6-N10 PolarHBondContact O-N 3.4Å; Q6-N10 PolarHBondContact O-ND2 3.34Å |
| 7 | E | 81.8 | Confident | 83.3 | Confident | 137 Ų | 137 | 114.9 Ų | 114.9 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -39.6 | 174.3 | -72.8 | -178.9 | 177.6 | 0 | 0 | 112.7 | T3 N10 R11 | T3-E7 PolarHBondContact O-N 2.91Å; E7-N10 PolarHBondContact O-N 3.06Å; E7-R11 WeakPolarHBondContact O-CB 3.44Å; E7-R11 PolarHBondContact O-N 3.44Å |
| 8 | V | 85.8 | Confident | 83.6 | Confident | 105 Ų | 105 | 115.9 Ų | 115.9 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | A4 K5 R11 K12 | A4-V8 WeakPolarHBondContact O-CG2 3.39Å; A4-V8 PolarHBondContact O-N 3.37Å; K5-V8 PolarHBondContact O-N 2.88Å; V8-R11 PolarHBondContact O-N 2.99Å; V8-K12 PolarHBondContact O-N 3.45Å |
| 9 | E | 87.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 116.1 Ų | 116.1 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.5 | -45.8 | 175.3 | -73.6 | -179.8 | 171.9 | 0 | 0 | 112 | K5 Q6 R11 K12 I13 | K5-E9 PolarHBondContact O-N 3.45Å; K5-E9 VanDerWaalsContact O-N 3.13Å; Q6-E9 PolarHBondContact O-N 3.13Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 2.94Å; E9-K12 WeakPolarHBondContact O-CB 3.43Å; E9-K12 PolarHBondContact O-N 3.12Å; E9-K12 VanDerWaalsContact O-N 3.12Å; E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.33Å |
| 10 | N | 86.9 | Confident | 84 | Confident | 90 Ų | 90 | 115.9 Ų | 115.9 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.4 | -41 | 176.1 | -76.3 | -17.4 | 0 | 0 | 0 | 111.7 | Q6 E7 I13 L14 | Q6-N10 WeakPolarHBondContact O-CB 3.5Å; Q6-N10 VanDerWaalsContact O-CG 3.23Å; Q6-N10 PolarHBondContact O-N 3.4Å; Q6-N10 PolarHBondContact O-ND2 3.34Å; E7-N10 PolarHBondContact O-N 3.06Å; N10-I13 PolarHBondContact O-N 3.41Å; N10-L14 WeakPolarHBondContact O-CB 3.39Å; N10-L14 PolarHBondContact O-N 2.95Å |
| 11 | R | 89.8 | Confident | 83.9 | Confident | 174 Ų | 174 | 116.5 Ų | 116.5 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 176.6 | -171.7 | 176.7 | 172.5 | -138.4 | -9.9 | 111.8 | E7 V8 E9 L14 E15 | E7-R11 WeakPolarHBondContact O-CB 3.44Å; E7-R11 PolarHBondContact O-N 3.44Å; V8-R11 PolarHBondContact O-N 2.99Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 2.94Å; R11-L14 PolarHBondContact O-N 3.23Å; R11-E15 IonicContact NH2-OE1 3.77Å; R11-E15 PolarHBondContact O-N 3.13Å; R11-E15 VanDerWaalsContact O-N 3.13Å |
| 12 | K | 91.6 | Very high | 85.2 | Confident | 154 Ų | 154 | 114.4 Ų | 114.4 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -46.3 | 175.9 | -173.5 | -176.7 | 177.3 | -172.7 | 0 | 111.6 | V8 E9 L14 E15 E16 | V8-K12 PolarHBondContact O-N 3.45Å; E9-K12 WeakPolarHBondContact O-CB 3.43Å; E9-K12 PolarHBondContact O-N 3.12Å; E9-K12 VanDerWaalsContact O-N 3.12Å; K12-L14 VanDerWaalsContact C-N 3.31Å; K12-L14 PolarHBondContact O-N 3.42Å; K12-E15 PolarHBondContact O-N 3.03Å; K12-E16 PolarHBondContact O-N 3.11Å |
| 13 | I | 91.4 | Very high | 85.9 | Confident | 91 Ų | 91 | 116 Ų | 116 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.1 | -43.2 | 177.1 | -67 | 165.1 | 0 | 0 | 0 | 110.6 | E9 N10 E15 E16 I17 | E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.33Å; N10-I13 PolarHBondContact O-N 3.41Å; I13-E15 VanDerWaalsContact C-N 3.34Å; I13-E15 PolarHBondContact O-N 3.42Å; I13-E16 PolarHBondContact O-N 3.38Å; I13-I17 HydrophobicContact CG2-CD1 3.81Å; I13-I17 HydrophobicContact CG2-CG1 4.38Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.93Å |
| 14 | L | 90.5 | Very high | 85.7 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 179.5 | -175.6 | 63.1 | 0 | 0 | 0 | 112.5 | N10 R11 K12 K18 | N10-L14 WeakPolarHBondContact O-CB 3.39Å; N10-L14 PolarHBondContact O-N 2.95Å; R11-L14 PolarHBondContact O-N 3.23Å; K12-L14 VanDerWaalsContact C-N 3.31Å; K12-L14 PolarHBondContact O-N 3.42Å; L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 3.27Å; L14-K18 VanDerWaalsContact O-N 3.11Å |
| 15 | E | 91.5 | Very high | 85.2 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 174.4 | -75.9 | -173.4 | -176.9 | 0 | 0 | 112 | R11 K12 I13 K18 Q19 | R11-E15 IonicContact NH2-OE1 3.77Å; R11-E15 PolarHBondContact O-N 3.13Å; R11-E15 VanDerWaalsContact O-N 3.13Å; K12-E15 PolarHBondContact O-N 3.03Å; I13-E15 VanDerWaalsContact C-N 3.34Å; I13-E15 PolarHBondContact O-N 3.42Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 2.98Å; E15-Q19 WeakPolarHBondContact O-CG 3.4Å; E15-Q19 PolarHBondContact O-N 3.24Å |
| 16 | E | 91 | Very high | 84.8 | Confident | 100 Ų | 100 | 115.5 Ų | 115.5 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.8 | -171.5 | 174.8 | 173.7 | 0 | 0 | 111.7 | K12 I13 K18 Q19 Q20 | K12-E16 PolarHBondContact O-N 3.11Å; I13-E16 PolarHBondContact O-N 3.38Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.36Å; E16-Q19 PolarHBondContact O-N 2.92Å; E16-Q19 VanDerWaalsContact O-N 3.14Å; E16-Q20 WeakPolarHBondContact O-CG 3.42Å; E16-Q20 PolarHBondContact O-N 3.41Å; E16-Q20 PolarHBondContact OE1-NE2 2.86Å |
| 17 | I | 89.4 | Confident | 84.4 | Confident | 94 Ų | 94 | 117.8 Ų | 117.8 | 48% | 0.482 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 175.5 | -69.2 | 169.3 | 0 | 0 | 0 | 111 | I13 Q19 Q20 K21 | I13-I17 HydrophobicContact CG2-CD1 3.81Å; I13-I17 HydrophobicContact CG2-CG1 4.38Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.93Å; I17-Q19 PolarHBondContact O-N 3.45Å; I17-Q20 PolarHBondContact O-N 3.49Å; I17-K21 WeakPolarHBondContact O-CB 3.44Å; I17-K21 PolarHBondContact O-N 3.14Å |
| 18 | K | 87.7 | Confident | 83.2 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 176.9 | -76.4 | 175.6 | -179.4 | 178.3 | 0 | 111.7 | L14 E15 E16 R22 | L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 3.27Å; L14-K18 VanDerWaalsContact O-N 3.11Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 2.98Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.36Å; K18-R22 PolarHBondContact O-N 2.91Å |
| 19 | Q | 89 | Confident | 82 | Confident | 119 Ų | 119 | 113 Ų | 113 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -44.1 | 177.2 | -71.6 | -176.8 | 10 | 0 | 0 | 112.1 | E15 E16 I17 K21 R22 Q23 | E15-Q19 WeakPolarHBondContact O-CG 3.4Å; E15-Q19 PolarHBondContact O-N 3.24Å; E16-Q19 PolarHBondContact O-N 2.92Å; E16-Q19 VanDerWaalsContact O-N 3.14Å; I17-Q19 PolarHBondContact O-N 3.45Å; Q19-K21 VanDerWaalsContact C-N 3.34Å; Q19-K21 PolarHBondContact O-N 3.28Å; Q19-R22 PolarHBondContact O-N 2.87Å; Q19-Q23 PolarHBondContact O-N 3.18Å |
| 20 | Q | 85.6 | Confident | 80.4 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.1 | -71.1 | 179.5 | 3.1 | 0 | 0 | 111.2 | E16 I17 R22 Q23 L24 | E16-Q20 WeakPolarHBondContact O-CG 3.42Å; E16-Q20 PolarHBondContact O-N 3.41Å; E16-Q20 PolarHBondContact OE1-NE2 2.86Å; I17-Q20 PolarHBondContact O-N 3.49Å; Q20-R22 VanDerWaalsContact C-N 3.35Å; Q20-R22 PolarHBondContact O-N 3.14Å; Q20-Q23 PolarHBondContact O-N 3.3Å; Q20-L24 WeakPolarHBondContact O-CB 3.37Å; Q20-L24 PolarHBondContact O-N 3.47Å |
| 21 | K | 83.7 | Confident | 78.8 | Confident | 128 Ų | 128 | 111.1 Ų | 111.1 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -44.2 | 173.9 | -176.8 | -179.4 | 177 | 179.9 | 0 | 111.8 | I17 Q19 L24 M25 | I17-K21 WeakPolarHBondContact O-CB 3.44Å; I17-K21 PolarHBondContact O-N 3.14Å; Q19-K21 VanDerWaalsContact C-N 3.34Å; Q19-K21 PolarHBondContact O-N 3.28Å; K21-L24 PolarHBondContact O-N 3.04Å; K21-M25 HydrophobicContact CG-CE 4.36Å; K21-M25 WeakPolarHBondContact O-CG 3.36Å; K21-M25 PolarHBondContact O-N 3.43Å |
| 22 | R | 80 | Confident | 77.1 | Confident | 174 Ų | 174 | 105 Ų | 105 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176.5 | -178 | -175.5 | -82.8 | 175.1 | -6.3 | 111.6 | K18 Q19 Q20 L24 M25 L26 | K18-R22 PolarHBondContact O-N 2.91Å; Q19-R22 PolarHBondContact O-N 2.87Å; Q20-R22 VanDerWaalsContact C-N 3.35Å; Q20-R22 PolarHBondContact O-N 3.14Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 3.33Å; R22-M25 PolarHBondContact O-N 2.61Å; R22-L26 HydrophobicContact CG-CD1 4.28Å; R22-L26 WeakPolarHBondContact O-CG 3.32Å; R22-L26 PolarHBondContact O-N 3.48Å; R22-L26 VanDerWaalsContact O-N 3.09Å |
| 23 | Q | 79.5 | Confident | 75.4 | Confident | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.9 | -80.7 | -176.6 | 33.9 | 0 | 0 | 112.1 | Q19 Q20 M25 L26 K27 | Q19-Q23 PolarHBondContact O-N 3.18Å; Q20-Q23 PolarHBondContact O-N 3.3Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; Q23-M25 PolarHBondContact O-N 3.18Å; Q23-L26 PolarHBondContact O-N 3.03Å; Q23-K27 WeakPolarHBondContact O-CB 3.2Å; Q23-K27 WeakPolarHBondContact O-CG 3.23Å; Q23-K27 PolarHBondContact O-N 2.97Å |
| 24 | L | 75.3 | Confident | 73.6 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.4 | -170.3 | 71.4 | 0 | 0 | 0 | 111.2 | Q20 K21 R22 L26 K27 N28 L31 | Q20-L24 WeakPolarHBondContact O-CB 3.37Å; Q20-L24 PolarHBondContact O-N 3.47Å; K21-L24 PolarHBondContact O-N 3.04Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 3.33Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.41Å; L24-K27 PolarHBondContact O-N 3.48Å; L24-N28 VanDerWaalsContact CD1-ND2 3.28Å; L24-N28 WeakPolarHBondContact CD1-ND2 3.37Å; L24-N28 VanDerWaalsContact O-CB 3.28Å; L24-N28 WeakPolarHBondContact O-CB 3.25Å; L24-N28 PolarHBondContact O-N 3.26Å; L24-L31 HydrophobicContact CD2-CD1 4.12Å; L24-L31 HydrophobicContact CG-CD1 4.05Å |
| 25 | M | 67.9 | Low | 71.9 | Confident | 73 Ų | 73 | 102.9 Ų | 102.9 | 36% | 0.36 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 176.2 | -71.6 | -172.4 | -59 | 0 | 0 | 112.8 | K21 R22 Q23 N28 | K21-M25 HydrophobicContact CG-CE 4.36Å; K21-M25 WeakPolarHBondContact O-CG 3.36Å; K21-M25 PolarHBondContact O-N 3.43Å; R22-M25 PolarHBondContact O-N 2.61Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; Q23-M25 PolarHBondContact O-N 3.18Å; M25-N28 CarbonylContact O-C 3.31Å; M25-N28 VanDerWaalsContact O-C 3.31Å |
| 26 | L | 73 | Confident | 70 | Confident | 134 Ų | 134 | 105.8 Ų | 105.8 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72 | -42 | 175.4 | -72.7 | 164.3 | 0 | 0 | 0 | 112.3 | R22 Q23 L24 N28 | R22-L26 HydrophobicContact CG-CD1 4.28Å; R22-L26 WeakPolarHBondContact O-CG 3.32Å; R22-L26 PolarHBondContact O-N 3.48Å; R22-L26 VanDerWaalsContact O-N 3.09Å; Q23-L26 PolarHBondContact O-N 3.03Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.41Å; L26-N28 VanDerWaalsContact C-N 3.31Å |
| 27 | K | 74.5 | Confident | 67.9 | Low | 152 Ų | 152 | 103.7 Ų | 103.7 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70 | -30.5 | 177.6 | -72.1 | 176.4 | 177 | 176.5 | 0 | 112.2 | Q23 L24 P29 | Q23-K27 WeakPolarHBondContact O-CB 3.2Å; Q23-K27 WeakPolarHBondContact O-CG 3.23Å; Q23-K27 PolarHBondContact O-N 2.97Å; L24-K27 PolarHBondContact O-N 3.48Å; K27-P29 WeakPolarHBondContact O-CD 3.28Å |
| 28 | N | 56.3 | Low | 65.7 | Low | 46 Ų | 46 | 104.1 Ų | 104.1 | 25% | 0.246 | 55% | 0.547 | C | S | . | . | trans | -124.2 | 77.3 | -177.6 | -66 | -43.3 | 0 | 0 | 0 | 109.8 | L24 M25 L26 H30 L31 | L24-N28 VanDerWaalsContact CD1-ND2 3.28Å; L24-N28 WeakPolarHBondContact CD1-ND2 3.37Å; L24-N28 VanDerWaalsContact O-CB 3.28Å; L24-N28 WeakPolarHBondContact O-CB 3.25Å; L24-N28 PolarHBondContact O-N 3.26Å; M25-N28 CarbonylContact O-C 3.31Å; M25-N28 VanDerWaalsContact O-C 3.31Å; L26-N28 VanDerWaalsContact C-N 3.31Å; N28-H30 VanDerWaalsContact CB-CE1 3.49Å; N28-H30 WeakPolarHBondContact CB-CE1 3.46Å; N28-H30 PolarHBondContact O-N 2.9Å; N28-H30 PolarHBondContact OD1-CE1 3.33Å; N28-H30 VanDerWaalsContact OD1-CE1 3.32Å; N28-L31 HydrophobicContact CB-CB 4.17Å; N28-L31 HydrophobicContact CB-CD1 3.43Å; N28-L31 VanDerWaalsContact CB-CD1 3.43Å; N28-L31 HydrophobicContact CB-CG 3.79Å; N28-L31 PolarHBondContact O-N 3.26Å | ||
| 29 | P | 59 | Low | 63.6 | Low | 96 Ų | 96 | 103.3 Ų | 103.3 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.7 | -22.7 | 176.5 | 22 | -32.8 | 0 | 0 | 0 | 112.5 | K27 L31 | K27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-L31 VanDerWaalsContact C-N 3.3Å; P29-L31 PolarHBondContact O-N 3.49Å |
| 30 | H | 54.2 | Low | 61.5 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.9 | -16.5 | 175 | 70 | -92 | 0 | 0 | 0 | 114.7 | N28 Q50 | N28-H30 VanDerWaalsContact CB-CE1 3.49Å; N28-H30 WeakPolarHBondContact CB-CE1 3.46Å; N28-H30 PolarHBondContact O-N 2.9Å; N28-H30 PolarHBondContact OD1-CE1 3.33Å; N28-H30 VanDerWaalsContact OD1-CE1 3.32Å; H30-Q50 PolarHBondContact O-NE2 3.22Å |
| 31 | L | 54.6 | Low | 59.8 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 33% | 0.33 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -88.9 | -25.8 | 177.4 | -70.2 | 170.7 | 0 | 0 | 0 | 112.8 | L24 N28 P29 T33 S34 | L24-L31 HydrophobicContact CD2-CD1 4.12Å; L24-L31 HydrophobicContact CG-CD1 4.05Å; N28-L31 HydrophobicContact CB-CB 4.17Å; N28-L31 HydrophobicContact CB-CD1 3.43Å; N28-L31 VanDerWaalsContact CB-CD1 3.43Å; N28-L31 HydrophobicContact CB-CG 3.79Å; N28-L31 PolarHBondContact O-N 3.26Å; P29-L31 VanDerWaalsContact C-N 3.3Å; P29-L31 PolarHBondContact O-N 3.49Å; L31-T33 PolarHBondContact O-N 2.89Å; L31-S34 PolarHBondContact O-N 3.4Å |
| 32 | A | 53.8 | Low | 58.5 | Low | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -21.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | S34 | A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.32Å |
| 33 | T | 55 | Low | 57.5 | Low | 106 Ų | 106 | 91.6 Ų | 91.6 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9.8 | -178.8 | -35.4 | 0 | 0 | 0 | 0 | 113.5 | L31 | L31-T33 PolarHBondContact O-N 2.89Š|
| 34 | S | 54.5 | Low | 56.8 | Low | 83 Ų | 83 | 88.6 Ų | 88.6 | 58% | 0.58 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.8 | -169.5 | -175.3 | 0 | 0 | 0 | 0 | 115.7 | L31 A32 | L31-S34 PolarHBondContact O-N 3.4Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.32Å |
| 35 | T | 54.8 | Low | 56.6 | Low | 105 Ų | 105 | 85.9 Ų | 85.9 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -121.6 | 11.4 | -169 | 51.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 36 | L | 51.1 | Low | 56.8 | Low | 157 Ų | 157 | 87.6 Ų | 87.6 | 82% | 0.822 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -135.1 | 19.5 | -173.1 | -99.3 | 135 | 0 | 0 | 0 | 116.5 | ||
| 37 | A | 47.2 | Very low | 57.1 | Low | 55 Ų | 55 | 84.6 Ų | 84.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | trans | -121.6 | 59.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S43 | A37-S43 VanDerWaalsContact O-CB 3.32Å; A37-S43 WeakPolarHBondContact O-CB 3.49Å | ||
| 38 | S | 43.3 | Very low | 57.5 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | trans | -69.1 | 137.9 | 152.2 | 54.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 39 | S | 44.1 | Very low | 58.7 | Low | 117 Ų | 117 | 84.6 Ų | 84.6 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 80.4 | 26.7 | 157.8 | 77.9 | 0 | 0 | 0 | 0 | 122.3 | ||
| 40 | S | 44 | Very low | 59.8 | Low | 61 Ų | 61 | 83.5 Ų | 83.5 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | trans | -128 | 138.2 | 162.9 | -62.5 | 0 | 0 | 0 | 0 | 111 | S42 S43 | S40-S42 WeakPolarHBondContact CB-OG 3.28Å; S40-S42 PolarHBondContact O-N 2.84Å; S40-S43 VanDerWaalsContact O-CB 3.24Å; S40-S43 WeakPolarHBondContact O-CB 3.46Å; S40-S43 PolarHBondContact O-N 3.37Å; S40-S43 PolarHBondContact O-OG 3.09Å | ||
| 41 | P | 50.6 | Low | 61.1 | Low | 132 Ų | 132 | 80 Ų | 80 | 86% | 0.857 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.4 | -8.4 | 177 | 22.6 | -31.8 | 0 | 0 | 0 | 113.9 | ||
| 42 | S | 55.5 | Low | 62.5 | Low | 79 Ų | 79 | 77.1 Ų | 77.1 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -81.1 | -15.5 | 168.4 | 54.1 | 0 | 0 | 0 | 0 | 114.9 | S40 | S40-S42 WeakPolarHBondContact CB-OG 3.28Å; S40-S42 PolarHBondContact O-N 2.84Å |
| 43 | S | 60.1 | Low | 64 | Low | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.098 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -72.6 | -37.5 | -176.9 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | A37 S40 G45 N46 I47 | A37-S43 VanDerWaalsContact O-CB 3.32Å; A37-S43 WeakPolarHBondContact O-CB 3.49Å; S40-S43 VanDerWaalsContact O-CB 3.24Å; S40-S43 WeakPolarHBondContact O-CB 3.46Å; S40-S43 PolarHBondContact O-N 3.37Å; S40-S43 PolarHBondContact O-OG 3.09Å; S43-G45 PolarHBondContact O-N 2.88Å; S43-N46 PolarHBondContact O-N 3.44Å; S43-I47 VanDerWaalsContact O-CG1 3.29Å; S43-I47 WeakPolarHBondContact O-CG1 3.45Å; S43-I47 PolarHBondContact O-N 2.91Å |
| 44 | I | 64.2 | Low | 65.4 | Low | 45 Ų | 45 | 83.7 Ų | 83.7 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | -179.3 | -65.2 | 169.8 | 0 | 0 | 0 | 110.2 | N46 I47 Q48 E67 | I44-N46 VanDerWaalsContact C-N 3.31Å; I44-N46 PolarHBondContact O-N 2.87Å; I44-I47 PolarHBondContact O-N 3.36Å; I44-Q48 HydrophobicContact CG2-CG 4.27Å; I44-Q48 WeakPolarHBondContact O-CB 3.27Å; I44-Q48 VanDerWaalsContact O-CG 3.29Å; I44-Q48 WeakPolarHBondContact O-CG 3.35Å; I44-Q48 PolarHBondContact O-N 3.36Å; I44-E67 HydrophobicContact CD1-CG 4.35Å; I44-E67 VanDerWaalsContact CD1-OE1 3.25Å; I44-E67 WeakPolarHBondContact CD1-OE1 3.49Å; I44-E67 HydrophobicContact CG2-CG 4.08Å |
| 45 | G | 70.9 | Confident | 66.8 | Low | 34 Ų | 34 | 80.7 Ų | 80.7 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S43 R49 | S43-G45 PolarHBondContact O-N 2.88Å; G45-R49 VanDerWaalsContact O-CB 3.31Å; G45-R49 WeakPolarHBondContact O-CB 3.3Å; G45-R49 PolarHBondContact O-N 3.33Å |
| 46 | N | 72.5 | Confident | 68.2 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.7 | -42.5 | 175.8 | -75.5 | -27 | 0 | 0 | 0 | 112.1 | S43 I44 R49 Q50 | S43-N46 PolarHBondContact O-N 3.44Å; I44-N46 VanDerWaalsContact C-N 3.31Å; I44-N46 PolarHBondContact O-N 2.87Å; N46-R49 PolarHBondContact O-N 2.99Å; N46-Q50 WeakPolarHBondContact O-CB 3.29Å; N46-Q50 PolarHBondContact O-N 2.82Å |
| 47 | I | 78 | Confident | 69.9 | Low | 72 Ų | 72 | 75 Ų | 75 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.3 | -64.1 | 163.5 | 0 | 0 | 0 | 110.4 | S43 I44 Q50 A51 N73 | S43-I47 VanDerWaalsContact O-CG1 3.29Å; S43-I47 WeakPolarHBondContact O-CG1 3.45Å; S43-I47 PolarHBondContact O-N 2.91Å; I44-I47 PolarHBondContact O-N 3.36Å; I47-Q50 PolarHBondContact O-N 3.05Å; I47-A51 WeakPolarHBondContact O-CB 3.24Å; I47-A51 PolarHBondContact O-N 3.42Å; I47-N73 HydrophobicContact CG2-CB 4.39Å; I47-N73 WeakPolarHBondContact CG2-ND2 3.44Å |
| 48 | Q | 82.9 | Confident | 71.7 | Confident | 30 Ų | 30 | 78.9 Ų | 78.9 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.6 | -50.3 | 174.5 | -79.9 | 177.6 | -7.6 | 0 | 0 | 111.9 | I44 Q50 A51 A52 Y65 V66 E67 N73 | I44-Q48 HydrophobicContact CG2-CG 4.27Å; I44-Q48 WeakPolarHBondContact O-CB 3.27Å; I44-Q48 VanDerWaalsContact O-CG 3.29Å; I44-Q48 WeakPolarHBondContact O-CG 3.35Å; I44-Q48 PolarHBondContact O-N 3.36Å; Q48-Q50 PolarHBondContact O-N 2.87Å; Q48-A51 PolarHBondContact O-N 3.04Å; Q48-A52 WeakPolarHBondContact O-CB 3.38Å; Q48-A52 PolarHBondContact O-N 3.35Å; Q48-Y65 HydrophobicContact CB-CD1 3.85Å; Q48-Y65 HydrophobicContact CB-CE1 4.48Å; Q48-V66 PolarHBondContact NE2-O 3Å; Q48-E67 VanDerWaalsContact NE2-CA 3.29Å; Q48-E67 VanDerWaalsContact NE2-N 3.13Å; Q48-N73 HydrophobicContact CG-CB 3.83Å |
| 49 | R | 81.8 | Confident | 73.6 | Confident | 167 Ų | 167 | 76.6 Ų | 76.6 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 177.9 | -176.9 | -180 | -72.8 | -142.4 | -1.1 | 111.6 | G45 N46 A52 M53 | G45-R49 VanDerWaalsContact O-CB 3.31Å; G45-R49 WeakPolarHBondContact O-CB 3.3Å; G45-R49 PolarHBondContact O-N 3.33Å; N46-R49 PolarHBondContact O-N 2.99Å; R49-A52 PolarHBondContact O-N 3.48Å; R49-M53 HydrophobicContact CG-CG 4.41Å; R49-M53 WeakPolarHBondContact O-CB 3.29Å; R49-M53 VanDerWaalsContact O-CG 3.3Å; R49-M53 WeakPolarHBondContact O-CG 3.34Å; R49-M53 PolarHBondContact O-N 2.93Å |
| 50 | Q | 82.6 | Confident | 75.4 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 34% | 0.341 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.8 | -171.4 | 179.2 | 16.6 | 0 | 0 | 111.7 | H30 N46 I47 Q48 M53 R54 | H30-Q50 PolarHBondContact O-NE2 3.22Å; N46-Q50 WeakPolarHBondContact O-CB 3.29Å; N46-Q50 PolarHBondContact O-N 2.82Å; I47-Q50 PolarHBondContact O-N 3.05Å; Q48-Q50 PolarHBondContact O-N 2.87Å; Q50-M53 PolarHBondContact O-N 3.19Å; Q50-R54 WeakPolarHBondContact O-CB 3.26Å; Q50-R54 PolarHBondContact O-N 2.85Å |
| 51 | A | 81.9 | Confident | 77.2 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 24% | 0.24 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I47 Q48 R54 A55 I74 | I47-A51 WeakPolarHBondContact O-CB 3.24Å; I47-A51 PolarHBondContact O-N 3.42Å; Q48-A51 PolarHBondContact O-N 3.04Å; A51-R54 PolarHBondContact O-N 3.39Å; A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 2.82Å; A51-I74 HydrophobicContact CB-CD1 4.21Å; A51-I74 HydrophobicContact CB-CG1 4.13Å; A51-I74 HydrophobicContact CB-CG2 3.87Å |
| 52 | A | 83 | Confident | 78.9 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 3% | 0.033 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q48 R49 R54 A55 A56 I63 Y65 I74 | Q48-A52 WeakPolarHBondContact O-CB 3.38Å; Q48-A52 PolarHBondContact O-N 3.35Å; R49-A52 PolarHBondContact O-N 3.48Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 3.26Å; A52-A55 PolarHBondContact O-N 2.8Å; A52-A56 VanDerWaalsContact O-CB 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.39Å; A52-A56 PolarHBondContact O-N 2.91Å; A52-I63 HydrophobicContact CB-CG2 3.96Å; A52-Y65 HydrophobicContact CB-CD1 4.09Å; A52-Y65 HydrophobicContact CB-CE1 3.21Å; A52-I74 HydrophobicContact CB-CG2 3.96Å |
| 53 | M | 85.2 | Confident | 80.4 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 62% | 0.616 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.3 | -41.1 | 175.1 | -75.7 | -60.7 | -57.6 | 0 | 0 | 111.4 | R49 Q50 A57 | R49-M53 HydrophobicContact CG-CG 4.41Å; R49-M53 WeakPolarHBondContact O-CB 3.29Å; R49-M53 VanDerWaalsContact O-CG 3.3Å; R49-M53 WeakPolarHBondContact O-CG 3.34Å; R49-M53 PolarHBondContact O-N 2.93Å; Q50-M53 PolarHBondContact O-N 3.19Å; M53-A57 VanDerWaalsContact O-CB 3.3Å; M53-A57 WeakPolarHBondContact O-CB 3.42Å; M53-A57 PolarHBondContact O-N 2.8Å |
| 54 | R | 85 | Confident | 81.6 | Confident | 162 Ų | 162 | 72 Ų | 72 | 61% | 0.611 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 176.4 | -167.5 | -177.7 | -140.2 | -171.2 | 5.4 | 111.9 | Q50 A51 A52 A57 N58 | Q50-R54 WeakPolarHBondContact O-CB 3.26Å; Q50-R54 PolarHBondContact O-N 2.85Å; A51-R54 PolarHBondContact O-N 3.39Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 3.26Å; R54-A57 PolarHBondContact O-N 3.19Å; R54-N58 PolarHBondContact O-N 3.22Å; R54-N58 PolarHBondContact O-ND2 3.38Å |
| 55 | A | 84 | Confident | 82.7 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A51 A52 A57 N58 S59 I63 I74 | A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 2.82Å; A52-A55 PolarHBondContact O-N 2.8Å; A55-A57 VanDerWaalsContact C-N 3.31Å; A55-A57 PolarHBondContact O-N 3.31Å; A55-N58 PolarHBondContact O-N 3.32Å; A55-S59 WeakPolarHBondContact O-CA 3.38Å; A55-S59 VanDerWaalsContact O-CB 3.26Å; A55-S59 WeakPolarHBondContact O-CB 3.47Å; A55-S59 PolarHBondContact O-N 2.95Å; A55-I63 HydrophobicContact CB-CD1 3.47Å; A55-I63 VanDerWaalsContact CB-CD1 3.47Å; A55-I63 HydrophobicContact CB-CG1 4.17Å; A55-I74 HydrophobicContact CB-CD1 3.5Å |
| 56 | A | 84.7 | Confident | 83.4 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 50% | 0.504 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A52 N58 I63 | A52-A56 VanDerWaalsContact O-CB 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.39Å; A52-A56 PolarHBondContact O-N 2.91Å; A56-N58 VanDerWaalsContact C-N 3.33Å; A56-I63 HydrophobicContact CB-CD1 4.07Å |
| 57 | A | 85.5 | Confident | 83.8 | Confident | 82 Ų | 82 | 78 Ų | 78 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.5 | -23 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M53 R54 A55 | M53-A57 VanDerWaalsContact O-CB 3.3Å; M53-A57 WeakPolarHBondContact O-CB 3.42Å; M53-A57 PolarHBondContact O-N 2.8Å; R54-A57 PolarHBondContact O-N 3.19Å; A55-A57 VanDerWaalsContact C-N 3.31Å; A55-A57 PolarHBondContact O-N 3.31Å |
| 58 | N | 86.6 | Confident | 83.8 | Confident | 137 Ų | 137 | 75.8 Ų | 75.8 | 73% | 0.733 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -116.2 | -2.6 | -175 | -65.7 | -77.4 | 0 | 0 | 0 | 113.5 | R54 A55 A56 | R54-N58 PolarHBondContact O-N 3.22Å; R54-N58 PolarHBondContact O-ND2 3.38Å; A55-N58 PolarHBondContact O-N 3.32Å; A56-N58 VanDerWaalsContact C-N 3.33Å |
| 59 | S | 83.2 | Confident | 83.8 | Confident | 55 Ų | 55 | 82 Ų | 82 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | trans | -151.4 | 148 | -174.6 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | A55 A61 | A55-S59 WeakPolarHBondContact O-CA 3.38Å; A55-S59 VanDerWaalsContact O-CB 3.26Å; A55-S59 WeakPolarHBondContact O-CB 3.47Å; A55-S59 PolarHBondContact O-N 2.95Å; S59-A61 VanDerWaalsContact C-N 3.3Å; S59-A61 WeakPolarHBondContact OG-CB 3.3Å; S59-A61 PolarHBondContact OG-N 3.46Å | ||
| 60 | C | 81.9 | Confident | 83.8 | Confident | 142 Ų | 142 | 83.1 Ų | 83.1 | 96% | 0.959 | 45% | 0.452 | S | S | * | . | trans | -91 | 11.1 | 172.4 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 61 | A | 81.9 | Confident | 83.6 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 31% | 0.306 | 47% | 0.474 | S | S | . | . | trans | -71.6 | 150 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S59 L76 | S59-A61 VanDerWaalsContact C-N 3.3Å; S59-A61 WeakPolarHBondContact OG-CB 3.3Å; S59-A61 PolarHBondContact OG-N 3.46Å; A61-L76 HydrophobicContact CB-CD2 3.88Å | ||
| 62 | S | 86.1 | Confident | 83.6 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.2 | 169.1 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | L76 V77 | S62-L76 WeakPolarHBondContact O-CA 3.31Å; S62-V77 WeakPolarHBondContact CB-O 3.3Å; S62-V77 PolarHBondContact O-N 2.95Å |
| 63 | I | 87.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 92.5 Ų | 92.5 | 20% | 0.195 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.4 | -171.8 | -62.4 | 156.4 | 0 | 0 | 0 | 109.1 | A52 A55 A56 I74 L75 L76 | A52-I63 HydrophobicContact CB-CG2 3.96Å; A55-I63 HydrophobicContact CB-CD1 3.47Å; A55-I63 VanDerWaalsContact CB-CD1 3.47Å; A55-I63 HydrophobicContact CB-CG1 4.17Å; A56-I63 HydrophobicContact CB-CD1 4.07Å; I63-I74 HydrophobicContact CG2-CB 3.8Å; I63-I74 HydrophobicContact CG2-CD1 4.36Å; I63-I74 HydrophobicContact CG2-CG2 3.82Å; I63-L75 WeakPolarHBondContact CA-O 3.41Å; I63-L76 HydrophobicContact CG1-CD2 4.21Å |
| 64 | M | 85.2 | Confident | 83.6 | Confident | 51 Ų | 51 | 88.5 Ų | 88.5 | 25% | 0.251 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135 | 171 | -176.8 | -178.5 | -67 | 0 | 0 | 110.1 | V66 I74 L75 V77 | M64-V66 HydrophobicContact CG-CG2 4.44Å; M64-I74 CarbonylContact O-C 3.55Å; M64-I74 VanDerWaalsContact O-CA 3.27Å; M64-I74 WeakPolarHBondContact O-CA 3.43Å; M64-L75 PolarHBondContact N-O 3.42Å; M64-L75 PolarHBondContact O-N 2.93Å; M64-V77 HydrophobicContact CB-CG1 3.81Å; M64-V77 HydrophobicContact CB-CG2 4.1Å; M64-V77 HydrophobicContact CE-CG1 3.94Å; M64-V77 HydrophobicContact CE-CG2 4.42Å; M64-V77 HydrophobicContact SD-CG1 4.4Å |
| 65 | Y | 86.9 | Confident | 83.8 | Confident | 127 Ų | 127 | 84.8 Ų | 84.8 | 50% | 0.498 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.7 | 172.1 | -60.1 | -73.4 | 0 | 0 | 0 | 110.6 | Q48 A52 I74 | Q48-Y65 HydrophobicContact CB-CD1 3.85Å; Q48-Y65 HydrophobicContact CB-CE1 4.48Å; A52-Y65 HydrophobicContact CB-CD1 4.09Å; A52-Y65 HydrophobicContact CB-CE1 3.21Å; Y65-I74 HydrophobicContact CD1-CG2 4.37Å |
| 66 | V | 84.5 | Confident | 83.9 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 26% | 0.255 | 49% | 0.486 | S | S | . | . | trans | -133.4 | 131 | 178.6 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | Q48 M64 S68 N73 L75 | Q48-V66 PolarHBondContact NE2-O 3Å; M64-V66 HydrophobicContact CG-CG2 4.44Å; V66-S68 PolarHBondContact O-N 3.01Å; V66-N73 PolarHBondContact N-O 3.35Å; V66-N73 CarbonylContact O-C 3.5Å; V66-N73 VanDerWaalsContact O-CA 3.3Å; V66-N73 WeakPolarHBondContact O-CA 3.3Å; V66-L75 HydrophobicContact CB-CG 4.45Å; V66-L75 HydrophobicContact CG2-CB 4.28Å; V66-L75 HydrophobicContact CG2-CD1 3.61Å; V66-L75 HydrophobicContact CG2-CG 3.61Å | ||
| 67 | E | 81.1 | Confident | 84 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 67% | 0.673 | 47% | 0.473 | S | S | * | . | trans | -77.3 | 106.5 | 170.1 | -178.1 | 161.1 | -149.3 | 0 | 0 | 108.4 | I44 Q48 | I44-E67 HydrophobicContact CD1-CG 4.35Å; I44-E67 VanDerWaalsContact CD1-OE1 3.25Å; I44-E67 WeakPolarHBondContact CD1-OE1 3.49Å; I44-E67 HydrophobicContact CG2-CG 4.08Å; Q48-E67 VanDerWaalsContact NE2-CA 3.29Å; Q48-E67 VanDerWaalsContact NE2-N 3.13Å | ||
| 68 | S | 79.2 | Confident | 84 | Confident | 27 Ų | 27 | 90.5 Ų | 90.5 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | trans | -128.1 | 125.9 | -177 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | V66 Y70 N72 | V66-S68 PolarHBondContact O-N 3.01Å; S68-Y70 PolarHBondContact O-N 3.19Å; S68-Y70 PolarHBondContact OG-N 3.44Å; S68-Y70 VanDerWaalsContact OG-N 3.14Å; S68-N72 WeakPolarHBondContact CB-O 3.48Å; S68-N72 PolarHBondContact OG-N 2.91Å | ||
| 69 | L | 81.9 | Confident | 83.9 | Confident | 159 Ų | 159 | 88.3 Ų | 88.3 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.5 | 169.3 | -61.6 | 176.1 | 0 | 0 | 0 | 112.3 | ||
| 70 | Y | 82.1 | Confident | 83.5 | Confident | 191 Ų | 191 | 95 Ų | 95 | 75% | 0.749 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 22.3 | -173.8 | -57.7 | -76 | 0 | 0 | 0 | 113.4 | S68 N72 | S68-Y70 PolarHBondContact O-N 3.19Å; S68-Y70 PolarHBondContact OG-N 3.44Å; S68-Y70 VanDerWaalsContact OG-N 3.14Å; Y70-N72 PolarHBondContact O-N 2.87Å |
| 71 | K | 78.3 | Confident | 83.2 | Confident | 186 Ų | 186 | 96.6 Ų | 96.6 | 81% | 0.809 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 65.5 | 10.2 | -179.7 | -52.2 | 176.7 | 179.9 | 175.5 | 0 | 115.2 | N73 | K71-N73 PolarHBondContact O-N 3.47Å; K71-N73 PolarHBondContact O-ND2 3.34Å |
| 72 | N | 82.5 | Confident | 82.5 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | trans | -84.8 | 61.3 | 171.5 | -65.3 | -36.6 | 0 | 0 | 0 | 110.4 | S68 Y70 I74 | S68-N72 WeakPolarHBondContact CB-O 3.48Å; S68-N72 PolarHBondContact OG-N 2.91Å; Y70-N72 PolarHBondContact O-N 2.87Å; N72-I74 PolarHBondContact O-N 3.32Å | ||
| 73 | N | 82.8 | Confident | 81.2 | Confident | 18 Ų | 18 | 110.8 Ų | 110.8 | 10% | 0.096 | 54% | 0.537 | C | S | . | . | trans | -75.1 | -12.5 | -171.7 | -65.6 | -60.8 | 0 | 0 | 0 | 113.8 | I47 Q48 V66 K71 | I47-N73 HydrophobicContact CG2-CB 4.39Å; I47-N73 WeakPolarHBondContact CG2-ND2 3.44Å; Q48-N73 HydrophobicContact CG-CB 3.83Å; V66-N73 PolarHBondContact N-O 3.35Å; V66-N73 CarbonylContact O-C 3.5Å; V66-N73 VanDerWaalsContact O-CA 3.3Å; V66-N73 WeakPolarHBondContact O-CA 3.3Å; K71-N73 PolarHBondContact O-N 3.47Å; K71-N73 PolarHBondContact O-ND2 3.34Å | ||
| 74 | I | 86.4 | Confident | 79.7 | Confident | 41 Ų | 41 | 111.4 Ų | 111.4 | 21% | 0.21 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.1 | 174.3 | 58.7 | 165.1 | 0 | 0 | 0 | 110.1 | A51 A52 A55 I63 M64 Y65 N72 | A51-I74 HydrophobicContact CB-CD1 4.21Å; A51-I74 HydrophobicContact CB-CG1 4.13Å; A51-I74 HydrophobicContact CB-CG2 3.87Å; A52-I74 HydrophobicContact CB-CG2 3.96Å; A55-I74 HydrophobicContact CB-CD1 3.5Å; I63-I74 HydrophobicContact CG2-CB 3.8Å; I63-I74 HydrophobicContact CG2-CD1 4.36Å; I63-I74 HydrophobicContact CG2-CG2 3.82Å; M64-I74 CarbonylContact O-C 3.55Å; M64-I74 VanDerWaalsContact O-CA 3.27Å; M64-I74 WeakPolarHBondContact O-CA 3.43Å; Y65-I74 HydrophobicContact CD1-CG2 4.37Å; N72-I74 PolarHBondContact O-N 3.32Å |
| 75 | L | 87.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 115.2 Ų | 115.2 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 143.3 | 168.5 | -66 | -178.6 | 0 | 0 | 0 | 109.7 | I63 M64 V66 V77 | I63-L75 WeakPolarHBondContact CA-O 3.41Å; M64-L75 PolarHBondContact N-O 3.42Å; M64-L75 PolarHBondContact O-N 2.93Å; V66-L75 HydrophobicContact CB-CG 4.45Å; V66-L75 HydrophobicContact CG2-CB 4.28Å; V66-L75 HydrophobicContact CG2-CD1 3.61Å; V66-L75 HydrophobicContact CG2-CG 3.61Å; L75-V77 HydrophobicContact CB-CG1 4.24Å |
| 76 | L | 86 | Confident | 76.1 | Confident | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 130 | 166.9 | -56.1 | -176.8 | 0 | 0 | 0 | 108.2 | A61 S62 I63 | A61-L76 HydrophobicContact CB-CD2 3.88Å; S62-L76 WeakPolarHBondContact O-CA 3.31Å; I63-L76 HydrophobicContact CG1-CD2 4.21Å |
| 77 | V | 87 | Confident | 74.3 | Confident | 41 Ų | 41 | 123.2 Ų | 123.2 | 25% | 0.248 | 62% | 0.622 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.1 | 165.1 | -174.5 | -61 | 0 | 0 | 0 | 0 | 111.1 | S62 M64 L75 | S62-V77 WeakPolarHBondContact CB-O 3.3Å; S62-V77 PolarHBondContact O-N 2.95Å; M64-V77 HydrophobicContact CB-CG1 3.81Å; M64-V77 HydrophobicContact CB-CG2 4.1Å; M64-V77 HydrophobicContact CE-CG1 3.94Å; M64-V77 HydrophobicContact CE-CG2 4.42Å; M64-V77 HydrophobicContact SD-CG1 4.4Å; L75-V77 HydrophobicContact CB-CG1 4.24Å |
| 78 | V | 86.3 | Confident | 72.8 | Confident | 122 Ų | 122 | 120.2 Ų | 120.2 | 74% | 0.739 | 62% | 0.622 | S | S | * | * | trans | -66.6 | 135.7 | 168 | 180 | 0 | 0 | 0 | 0 | 108.6 | R80 | V78-R80 PolarHBondContact O-N 3.41Š| ||
| 79 | P | 84 | Confident | 71.2 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 58% | 0.584 | 65% | 0.646 | S | S | * | * | trans | -51.9 | 122.8 | 177.7 | -26.4 | 33.5 | 0 | 0 | 0 | 112.1 | M81 | P79-M81 PolarHBondContact O-N 2.98Š| ||
| 80 | R | 74.1 | Confident | 69.2 | Low | 196 Ų | 196 | 118.1 Ų | 118.1 | 74% | 0.74 | 64% | 0.643 | S | S | * | * | trans | -87.1 | 103.6 | 174 | -66.2 | -177.7 | 174 | -169.2 | -6.5 | 108.5 | V78 Q82 | V78-R80 PolarHBondContact O-N 3.41Å; R80-Q82 PolarHBondContact O-N 3.31Å | ||
| 81 | M | 77.1 | Confident | 67.7 | Low | 175 Ų | 175 | 120.6 Ų | 120.6 | 86% | 0.862 | 65% | 0.651 | S | S | * | * | trans | -71.6 | 114.8 | 163.4 | -62.5 | -66.2 | -80.6 | 0 | 0 | 106.5 | P79 Q83 | P79-M81 PolarHBondContact O-N 2.98Å; M81-Q83 PolarHBondContact O-N 3.06Å | ||
| 82 | Q | 67.3 | Low | 66.6 | Low | 188 Ų | 188 | 123.1 Ų | 123.1 | 88% | 0.879 | 67% | 0.671 | S | S | * | * | trans | -60 | 117.5 | 169.7 | -168.6 | 168.2 | 13.5 | 0 | 0 | 105.9 | R80 G84 | R80-Q82 PolarHBondContact O-N 3.31Å; Q82-G84 PolarHBondContact O-N 3.35Å | ||
| 83 | Q | 58.5 | Low | 65.8 | Low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -65.3 | 88.2 | 170.6 | -169 | 167.4 | 2.5 | 0 | 0 | 105.7 | M81 V85 | M81-Q83 PolarHBondContact O-N 3.06Å; Q83-V85 PolarHBondContact O-N 2.73Å | ||
| 84 | G | 55.1 | Low | 64.9 | Low | 50 Ų | 50 | 129.8 Ų | 129.8 | 52% | 0.515 | 71% | 0.708 | S | S | . | * | trans | -52.1 | 133.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q82 L86 | Q82-G84 PolarHBondContact O-N 3.35Å; G84-L86 PolarHBondContact O-N 2.71Å | ||
| 85 | V | 47.1 | Very low | 63.7 | Low | 131 Ų | 131 | 134.8 Ų | 134.8 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | -56.1 | 89.8 | 170.1 | 179 | 0 | 0 | 0 | 0 | 106.9 | Q83 E87 | Q83-V85 PolarHBondContact O-N 2.73Å; V85-E87 HydrophobicContact CG1-CB 4.38Å; V85-E87 HydrophobicContact CG1-CG 3.88Å; V85-E87 PolarHBondContact O-N 2.77Å | ||
| 86 | L | 49.9 | Very low | 62.3 | Low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | -70.1 | 86.6 | 151.5 | -98.6 | 130.7 | 0 | 0 | 0 | 103.9 | G84 A88 | G84-L86 PolarHBondContact O-N 2.71Å; L86-A88 HydrophobicContact CD2-CB 4.37Å; L86-A88 PolarHBondContact O-N 2.88Å | ||
| 87 | E | 45.7 | Very low | 60.8 | Low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -60.7 | 72.1 | 147.8 | -93.1 | -155.5 | 128.1 | 0 | 0 | 107 | V85 G89 | V85-E87 HydrophobicContact CG1-CB 4.38Å; V85-E87 HydrophobicContact CG1-CG 3.88Å; V85-E87 PolarHBondContact O-N 2.77Å; E87-G89 PolarHBondContact O-N 3.28Å | ||
| 88 | A | 50.2 | Low | 59.1 | Low | 80 Ų | 80 | 145.4 Ų | 145.4 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -86.4 | 63.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | L86 G90 | L86-A88 HydrophobicContact CD2-CB 4.37Å; L86-A88 PolarHBondContact O-N 2.88Å; A88-G90 PolarHBondContact O-N 3.03Å | ||
| 89 | G | 45.7 | Very low | 57.1 | Low | 69 Ų | 69 | 147.1 Ų | 147.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 64.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E87 R91 | E87-G89 PolarHBondContact O-N 3.28Å; G89-R91 VanDerWaalsContact C-N 3.34Å; G89-R91 PolarHBondContact O-N 3.01Å | ||
| 90 | G | 39.6 | Very low | 55.1 | Low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -67.4 | 94.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A88 | A88-G90 PolarHBondContact O-N 3.03Š| ||
| 91 | R | 51.1 | Low | 53.5 | Low | 243 Ų | 243 | 147.8 Ų | 147.8 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -81 | 112.8 | 156.7 | -71.1 | -172.8 | 179.8 | -164.4 | 0.4 | 107.1 | G89 | G89-R91 VanDerWaalsContact C-N 3.34Å; G89-R91 PolarHBondContact O-N 3.01Å | ||
| 92 | I | 54.7 | Low | 51.4 | Low | 238 Ų | 238 | 145.3 Ų | 145.3 | 100% | 1.221 | 82% | 0.818 | S | S | * | * | trans | -77.3 | 0 | 146.9 | -52.3 | 167.2 | 0 | 0 | 0 | 106.2 |
Retrieved 92 of 92 residues in 36.7 ms
(Link to these results)