| 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 | 55.9 | Low | 84.1 | Confident | 231 Ų | 231 | 136.5 Ų | 136.5 | 100% | 1.138 | 68% | 0.682 | S | S | * | * | 0 | 113.5 | 0 | -73.1 | -169.2 | 165.5 | 0 | 0 | 109 | |||||
| 2 | P | 76.7 | Confident | 84.8 | Confident | 135 Ų | 135 | 135.3 Ų | 135.3 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | trans | -70.9 | 127.9 | 175 | 27.7 | -31.5 | 0 | 0 | 0 | 110.5 | ||||
| 3 | V | 82.9 | Confident | 85.4 | Confident | 125 Ų | 125 | 131.4 Ų | 131.4 | 76% | 0.758 | 65% | 0.652 | S | S | * | * | trans | -89.5 | 127.4 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | V5 | V3-V5 HydrophobicContact CG1-CG2 4.41Å; V3-V5 PolarHBondContact O-N 3.38Å | ||
| 4 | R | 84.6 | Confident | 85.8 | Confident | 253 Ų | 253 | 129.4 Ų | 129.4 | 96% | 0.955 | 65% | 0.645 | S | S | * | * | trans | -79 | 114 | 173.8 | -68.4 | -175.2 | -179 | -174.9 | 0.8 | 109.2 | ||||
| 5 | V | 87.8 | Confident | 86.4 | Confident | 78 Ų | 78 | 129.4 Ų | 129.4 | 47% | 0.473 | 64% | 0.642 | S | S | . | * | trans | -111.8 | 148.4 | 177.4 | -145.8 | 0 | 0 | 0 | 0 | 109.5 | V3 V9 | V3-V5 HydrophobicContact CG1-CG2 4.41Å; V3-V5 PolarHBondContact O-N 3.38Å; V5-V9 HydrophobicContact CG1-CB 3.88Å; V5-V9 HydrophobicContact CG1-CG1 3.62Å | ||
| 6 | K | 89.3 | Confident | 86.9 | Confident | 166 Ų | 166 | 125.8 Ų | 125.8 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | trans | -57.8 | 140.2 | 173.7 | -70.1 | -177.1 | 178.2 | 177.2 | 0 | 109.9 | S8 V9 S10 | K6-S8 VanDerWaalsContact C-N 3.26Å; K6-S8 PolarHBondContact O-N 2.99Å; K6-S8 VanDerWaalsContact O-N 3.17Å; K6-V9 HydrophobicContact CB-CG2 4.14Å; K6-V9 WeakPolarHBondContact O-CB 3.44Å; K6-V9 PolarHBondContact O-N 3.17Å; K6-S10 PolarHBondContact O-N 3.27Å | ||
| 7 | K | 88.7 | Confident | 87.3 | Confident | 154 Ų | 154 | 123.1 Ų | 123.1 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.2 | -37.6 | -175.1 | -169.5 | 174.4 | -175.5 | 174.6 | 0 | 113.4 | S10 R11 | K7-S10 PolarHBondContact O-N 3.43Å; K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 2.87Å |
| 8 | S | 90.7 | Very high | 87.7 | Confident | 83 Ų | 83 | 118.5 Ų | 118.5 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.8 | -45.6 | 175.5 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | K6 R11 F12 | K6-S8 VanDerWaalsContact C-N 3.26Å; K6-S8 PolarHBondContact O-N 2.99Å; K6-S8 VanDerWaalsContact O-N 3.17Å; S8-R11 PolarHBondContact O-N 3.03Å; S8-F12 PolarHBondContact O-N 3.33Å |
| 9 | V | 89 | Confident | 88.1 | Confident | 63 Ų | 63 | 117.3 Ų | 117.3 | 38% | 0.382 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -43.8 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | V5 K6 R11 F12 L13 | V5-V9 HydrophobicContact CG1-CB 3.88Å; V5-V9 HydrophobicContact CG1-CG1 3.62Å; K6-V9 HydrophobicContact CB-CG2 4.14Å; K6-V9 WeakPolarHBondContact O-CB 3.44Å; K6-V9 PolarHBondContact O-N 3.17Å; V9-R11 PolarHBondContact O-N 3.01Å; V9-F12 PolarHBondContact O-N 3.5Å; V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 2.93Å |
| 10 | S | 89.8 | Confident | 88.5 | Confident | 45 Ų | 45 | 120 Ų | 120 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.8 | -42.7 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | K6 K7 L13 N14 | K6-S10 PolarHBondContact O-N 3.27Å; K7-S10 PolarHBondContact O-N 3.43Å; S10-L13 PolarHBondContact O-N 3.09Å; S10-N14 WeakPolarHBondContact O-CB 3.32Å; S10-N14 PolarHBondContact O-N 2.92Å |
| 11 | R | 89.9 | Confident | 88.9 | Confident | 168 Ų | 168 | 118 Ų | 118 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.5 | -45.1 | 175.2 | -76.8 | 179.6 | 178.5 | 175.7 | -3 | 112.3 | K7 S8 V9 N14 H15 | K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 2.87Å; S8-R11 PolarHBondContact O-N 3.03Å; V9-R11 PolarHBondContact O-N 3.01Å; R11-N14 PolarHBondContact O-N 3.4Å; R11-H15 WeakPolarHBondContact O-CB 3.46Å; R11-H15 PolarHBondContact O-N 2.95Å |
| 12 | F | 92 | Very high | 90.8 | Very high | 123 Ų | 123 | 115.5 Ų | 115.5 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -47.5 | 177.9 | 176.3 | -99.1 | 0 | 0 | 0 | 111.6 | S8 V9 N14 H15 Q16 | S8-F12 PolarHBondContact O-N 3.33Å; V9-F12 PolarHBondContact O-N 3.5Å; F12-N14 PolarHBondContact O-N 3.5Å; F12-H15 PolarHBondContact O-N 3.01Å; F12-Q16 HydrophobicContact CD1-CG 4.3Å; F12-Q16 HydrophobicContact CE1-CG 3.89Å; F12-Q16 HydrophobicContact CE2-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 3.81Å; F12-Q16 WeakPolarHBondContact O-CG 3.36Å; F12-Q16 PolarHBondContact O-N 2.96Å |
| 13 | L | 92.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 114 Ų | 114 | 44% | 0.44 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.9 | -69.9 | 175.3 | 0 | 0 | 0 | 111.5 | V9 S10 H15 Q16 V17 | V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 2.93Å; S10-L13 PolarHBondContact O-N 3.09Å; L13-H15 VanDerWaalsContact C-N 3.32Å; L13-H15 PolarHBondContact O-N 3.06Å; L13-Q16 PolarHBondContact O-N 3.27Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.49Å |
| 14 | N | 92.2 | Very high | 92.4 | Very high | 103 Ų | 103 | 114 Ų | 114 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 177.2 | -75.1 | -7.6 | 0 | 0 | 0 | 112.1 | S10 R11 F12 A18 | S10-N14 WeakPolarHBondContact O-CB 3.32Å; S10-N14 PolarHBondContact O-N 2.92Å; R11-N14 PolarHBondContact O-N 3.4Å; F12-N14 PolarHBondContact O-N 3.5Å; N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.96Å |
| 15 | H | 93.6 | Very high | 93 | Very high | 130 Ų | 130 | 107.3 Ų | 107.3 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 176.4 | -176.3 | 71.2 | 0 | 0 | 0 | 111.8 | R11 F12 L13 A18 H19 | R11-H15 WeakPolarHBondContact O-CB 3.46Å; R11-H15 PolarHBondContact O-N 2.95Å; F12-H15 PolarHBondContact O-N 3.01Å; L13-H15 VanDerWaalsContact C-N 3.32Å; L13-H15 PolarHBondContact O-N 3.06Å; H15-A18 PolarHBondContact O-N 3.48Å; H15-H19 WeakPolarHBondContact O-CB 3.44Å; H15-H19 PolarHBondContact O-N 3.33Å |
| 16 | Q | 94.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 107.1 Ų | 107.1 | 33% | 0.332 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.2 | -71.4 | -69.1 | 8.2 | 0 | 0 | 112.5 | F12 L13 H19 R20 | F12-Q16 HydrophobicContact CD1-CG 4.3Å; F12-Q16 HydrophobicContact CE1-CG 3.89Å; F12-Q16 HydrophobicContact CE2-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 3.81Å; F12-Q16 WeakPolarHBondContact O-CG 3.36Å; F12-Q16 PolarHBondContact O-N 2.96Å; L13-Q16 PolarHBondContact O-N 3.27Å; Q16-H19 PolarHBondContact O-N 3.47Å; Q16-R20 WeakPolarHBondContact O-CG 3.49Å; Q16-R20 PolarHBondContact O-N 3.28Å |
| 17 | V | 94.7 | Very high | 93.7 | Very high | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | L13 H19 R20 I21 | L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.49Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.03Å; V17-R20 PolarHBondContact O-N 3.41Å; V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.36Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å |
| 18 | A | 94.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N14 H15 I21 R22 | N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.96Å; H15-A18 PolarHBondContact O-N 3.48Å; A18-I21 PolarHBondContact O-N 2.94Å; A18-R22 WeakPolarHBondContact O-CG 3.32Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.09Å |
| 19 | H | 94.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.44 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.4 | 179.9 | -92.5 | 0 | 0 | 0 | 111.8 | H15 Q16 V17 I21 R22 L23 | H15-H19 WeakPolarHBondContact O-CB 3.44Å; H15-H19 PolarHBondContact O-N 3.33Å; Q16-H19 PolarHBondContact O-N 3.47Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.03Å; H19-I21 VanDerWaalsContact C-N 3.35Å; H19-I21 PolarHBondContact O-N 3.19Å; H19-R22 PolarHBondContact O-N 3.49Å; H19-L23 PolarHBondContact O-N 2.84Å; H19-L23 VanDerWaalsContact O-N 3.14Å |
| 20 | R | 96.6 | Very high | 94.6 | Very high | 171 Ų | 171 | 104.1 Ų | 104.1 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -39.3 | 176.4 | -72.8 | 178 | -179.1 | -160.8 | -1.3 | 112.4 | Q16 V17 L23 L24 | Q16-R20 WeakPolarHBondContact O-CG 3.49Å; Q16-R20 PolarHBondContact O-N 3.28Å; V17-R20 PolarHBondContact O-N 3.41Å; R20-L23 PolarHBondContact O-N 2.89Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.35Å |
| 21 | I | 96 | Very high | 94.9 | Very high | 80 Ų | 80 | 107.1 Ų | 107.1 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 175 | -71.7 | 166.9 | 0 | 0 | 0 | 110.2 | V17 A18 H19 L23 L24 E25 | V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.36Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å; A18-I21 PolarHBondContact O-N 2.94Å; H19-I21 VanDerWaalsContact C-N 3.35Å; H19-I21 PolarHBondContact O-N 3.19Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.03Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.1Å; I21-E25 HydrophobicContact CG2-CG 4.22Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.29Å; I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.88Å |
| 22 | R | 95.9 | Very high | 95.2 | Very high | 178 Ų | 178 | 103.8 Ų | 103.8 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 178.1 | -71 | 179.6 | -171.2 | 174.5 | 0.2 | 113.5 | A18 H19 L24 E25 S26 | A18-R22 WeakPolarHBondContact O-CG 3.32Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.09Å; H19-R22 PolarHBondContact O-N 3.49Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-E25 PolarHBondContact O-N 3.38Å; R22-S26 PolarHBondContact O-N 2.93Å |
| 23 | L | 96.7 | Very high | 95.4 | Very high | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.6 | -71.9 | 176.5 | 0 | 0 | 0 | 111.6 | H19 R20 I21 S26 A27 | H19-L23 PolarHBondContact O-N 2.84Å; H19-L23 VanDerWaalsContact O-N 3.14Å; R20-L23 PolarHBondContact O-N 2.89Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.03Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.5Å |
| 24 | L | 97.4 | Very high | 95.6 | Very high | 125 Ų | 125 | 104 Ų | 104 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -39.6 | 177 | -69.5 | 171.8 | 0 | 0 | 0 | 112 | R20 I21 R22 A27 L28 | R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.35Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.1Å; R22-L24 VanDerWaalsContact C-N 3.33Å; L24-A27 PolarHBondContact O-N 3.23Å; L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.42Å |
| 25 | E | 96.7 | Very high | 95.8 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.3 | -72.7 | 169.3 | 167.8 | 0 | 0 | 111.2 | I21 R22 L28 L29 | I21-E25 HydrophobicContact CG2-CG 4.22Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.29Å; I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.88Å; R22-E25 PolarHBondContact O-N 3.38Å; E25-L28 PolarHBondContact O-N 3.09Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 2.66Å |
| 26 | S | 95.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.4 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | R22 L23 L28 L29 E30 | R22-S26 PolarHBondContact O-N 2.93Å; L23-S26 PolarHBondContact O-N 3.33Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 2.89Å; S26-L29 PolarHBondContact O-N 3.18Å; S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.16Å |
| 27 | A | 96.1 | Very high | 96 | Very high | 39 Ų | 39 | 102.9 Ų | 102.9 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L23 L24 E30 I31 | L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.5Å; L24-A27 PolarHBondContact O-N 3.23Å; A27-E30 PolarHBondContact O-N 3.32Å; A27-I31 VanDerWaalsContact O-CG1 3.25Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.14Å |
| 28 | L | 96.8 | Very high | 96 | Very high | 120 Ų | 120 | 104.3 Ų | 104.3 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176.8 | -173.9 | 68.8 | 0 | 0 | 0 | 111.8 | L24 E25 S26 I31 H32 | L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.42Å; E25-L28 PolarHBondContact O-N 3.09Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 3.49Å; L28-H32 WeakPolarHBondContact O-CB 3.35Å; L28-H32 PolarHBondContact O-N 2.93Å |
| 29 | L | 95.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 175.2 | -69.8 | 171.7 | 0 | 0 | 0 | 111.4 | E25 S26 I31 H32 D33 | E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 2.66Å; S26-L29 PolarHBondContact O-N 3.18Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.44Å; L29-H32 WeakPolarHBondContact O-CB 3.45Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-H32 VanDerWaalsContact O-N 3.14Å; L29-D33 PolarHBondContact O-N 3.39Å |
| 30 | E | 96 | Very high | 96 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.3 | -174.2 | 178.4 | -175.4 | 0 | 0 | 112 | S26 A27 H32 D33 L34 | S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.16Å; A27-E30 PolarHBondContact O-N 3.32Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.05Å; E30-D33 PolarHBondContact O-N 3.37Å; E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.19Å |
| 31 | I | 95.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 105.2 Ų | 105.2 | 55% | 0.554 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 175 | -69.9 | 166.3 | 0 | 0 | 0 | 111.2 | A27 L28 L29 L34 D35 | A27-I31 VanDerWaalsContact O-CG1 3.25Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.14Å; L28-I31 PolarHBondContact O-N 3.49Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.91Å; I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.96Å |
| 32 | H | 95.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 178.7 | 178.6 | -96.4 | 0 | 0 | 0 | 112.1 | L28 L29 E30 D35 N36 | L28-H32 WeakPolarHBondContact O-CB 3.35Å; L28-H32 PolarHBondContact O-N 2.93Å; L29-H32 WeakPolarHBondContact O-CB 3.45Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-H32 VanDerWaalsContact O-N 3.14Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.05Å; H32-D35 PolarHBondContact O-N 3.46Å; H32-N36 PolarHBondContact CE1-ND2 2.99Å; H32-N36 PolarHBondContact ND1-ND2 2.91Å; H32-N36 WeakPolarHBondContact O-CB 3.36Å; H32-N36 VanDerWaalsContact O-CG 3.28Å; H32-N36 PolarHBondContact O-N 2.99Å; H32-N36 PolarHBondContact O-ND2 3.29Å |
| 33 | D | 96.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 175.9 | -69.4 | -14.9 | 0 | 0 | 0 | 111.5 | L29 E30 N36 R37 | L29-D33 PolarHBondContact O-N 3.39Å; E30-D33 PolarHBondContact O-N 3.37Å; D33-N36 PolarHBondContact O-N 3.44Å; D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.42Å |
| 34 | L | 96.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 173.5 | -72 | 172.3 | 0 | 0 | 0 | 112.4 | E30 I31 R37 M38 | E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.19Å; I31-L34 PolarHBondContact O-N 2.91Å; L34-R37 PolarHBondContact O-N 3.1Å; L34-M38 WeakPolarHBondContact O-CB 3.46Å; L34-M38 PolarHBondContact O-N 3.16Å |
| 35 | D | 96.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 99.5 Ų | 99.5 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.4 | -178.8 | 57 | 0 | 0 | 0 | 111.5 | I31 H32 M38 K39 | I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.96Å; H32-D35 PolarHBondContact O-N 3.46Å; D35-M38 PolarHBondContact O-N 3.01Å; D35-K39 WeakPolarHBondContact O-CB 3.31Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.37Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 3.94Å; D35-K39 VanDerWaalsContact OD2-CE 3.23Å; D35-K39 WeakPolarHBondContact OD2-CE 3.4Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.49Å |
| 36 | N | 95.9 | Very high | 93.7 | Very high | 64 Ų | 64 | 98.6 Ų | 98.6 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.4 | -73.6 | -22.2 | 0 | 0 | 0 | 112 | H32 D33 K39 M40 | H32-N36 PolarHBondContact CE1-ND2 2.99Å; H32-N36 PolarHBondContact ND1-ND2 2.91Å; H32-N36 WeakPolarHBondContact O-CB 3.36Å; H32-N36 VanDerWaalsContact O-CG 3.28Å; H32-N36 PolarHBondContact O-N 2.99Å; H32-N36 PolarHBondContact O-ND2 3.29Å; D33-N36 PolarHBondContact O-N 3.44Å; N36-K39 PolarHBondContact O-N 3.45Å; N36-M40 WeakPolarHBondContact O-CG 3.46Å; N36-M40 PolarHBondContact O-N 3.38Å |
| 37 | R | 95.6 | Very high | 93 | Very high | 162 Ų | 162 | 98.6 Ų | 98.6 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 176.4 | -179.5 | 176.7 | 171 | 171 | 1.9 | 111.5 | D33 L34 K39 M40 E41 | D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.42Å; L34-R37 PolarHBondContact O-N 3.1Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.42Å; R37-M40 PolarHBondContact O-N 2.84Å; R37-M40 VanDerWaalsContact O-N 3.17Å; R37-E41 WeakPolarHBondContact CG-OE1 3.23Å; R37-E41 IonicContact CZ-OE1 3.57Å; R37-E41 IonicContact NE-OE1 2.82Å; R37-E41 PolarHBondContact NE-OE1 3Å; R37-E41 IonicContact NH2-OE1 3.41Å; R37-E41 PolarHBondContact NH2-OE1 3.2Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.22Å |
| 38 | M | 95.7 | Very high | 92 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 178.1 | -176.2 | 177.9 | 60.9 | 0 | 0 | 111.8 | L34 D35 E41 L42 | L34-M38 WeakPolarHBondContact O-CB 3.46Å; L34-M38 PolarHBondContact O-N 3.16Å; D35-M38 PolarHBondContact O-N 3.01Å; M38-E41 PolarHBondContact O-N 3.48Å; M38-L42 VanDerWaalsContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CB 3.47Å; M38-L42 PolarHBondContact O-N 3.34Å |
| 39 | K | 95.6 | Very high | 91.1 | Very high | 104 Ų | 104 | 100 Ų | 100 | 45% | 0.452 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 173.5 | -77.6 | 167 | 176.4 | 163.8 | 0 | 112.2 | D35 N36 R37 L42 L43 | D35-K39 WeakPolarHBondContact O-CB 3.31Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.37Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 3.94Å; D35-K39 VanDerWaalsContact OD2-CE 3.23Å; D35-K39 WeakPolarHBondContact OD2-CE 3.4Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.49Å; N36-K39 PolarHBondContact O-N 3.45Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.42Å; K39-L42 PolarHBondContact O-N 3.26Å; K39-L43 WeakPolarHBondContact O-CB 3.33Å; K39-L43 VanDerWaalsContact O-CG 3.28Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 2.99Å |
| 40 | M | 92.9 | Very high | 89.9 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 62% | 0.616 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 177.1 | -68.5 | -55.7 | -60.2 | 0 | 0 | 111.9 | N36 R37 L42 L43 A44 | N36-M40 WeakPolarHBondContact O-CG 3.46Å; N36-M40 PolarHBondContact O-N 3.38Å; R37-M40 PolarHBondContact O-N 2.84Å; R37-M40 VanDerWaalsContact O-N 3.17Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.44Å; M40-L43 PolarHBondContact O-N 3.39Å; M40-L43 HydrophobicContact SD-CD1 4.25Å; M40-A44 PolarHBondContact O-N 3.48Å |
| 41 | E | 92.2 | Very high | 88.2 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175 | -70.7 | 176 | -168.2 | 0 | 0 | 111.4 | R37 M38 A44 L45 | R37-E41 WeakPolarHBondContact CG-OE1 3.23Å; R37-E41 IonicContact CZ-OE1 3.57Å; R37-E41 IonicContact NE-OE1 2.82Å; R37-E41 PolarHBondContact NE-OE1 3Å; R37-E41 IonicContact NH2-OE1 3.41Å; R37-E41 PolarHBondContact NH2-OE1 3.2Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.22Å; M38-E41 PolarHBondContact O-N 3.48Å; E41-A44 PolarHBondContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CG 3.46Å; E41-L45 PolarHBondContact O-N 3.14Å |
| 42 | L | 92.5 | Very high | 86.5 | Confident | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 177.3 | -172.6 | 147.8 | 0 | 0 | 0 | 112.5 | M38 K39 M40 A44 L45 N46 | M38-L42 VanDerWaalsContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CB 3.47Å; M38-L42 PolarHBondContact O-N 3.34Å; K39-L42 PolarHBondContact O-N 3.26Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.44Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-N46 VanDerWaalsContact CD2-ND2 3.25Å; L42-N46 WeakPolarHBondContact CD2-ND2 3.49Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.06Å |
| 43 | L | 89.3 | Confident | 84.6 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 172.4 | -76.2 | 170.8 | 0 | 0 | 0 | 110.9 | K39 M40 L45 N46 T47 | K39-L43 WeakPolarHBondContact O-CB 3.33Å; K39-L43 VanDerWaalsContact O-CG 3.28Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 2.99Å; M40-L43 PolarHBondContact O-N 3.39Å; M40-L43 HydrophobicContact SD-CD1 4.25Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.33Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 3.47Å; L43-T47 PolarHBondContact O-OG1 3.43Å |
| 44 | A | 86.7 | Confident | 82.5 | Confident | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M40 E41 L42 T47 L48 | M40-A44 PolarHBondContact O-N 3.48Å; E41-A44 PolarHBondContact O-N 3.16Å; L42-A44 VanDerWaalsContact C-N 3.35Å; A44-T47 VanDerWaalsContact C-OG1 3.31Å; A44-T47 WeakPolarHBondContact CA-OG1 3.38Å; A44-T47 PolarHBondContact O-OG1 2.96Å; A44-L48 PolarHBondContact O-N 3.36Å |
| 45 | L | 86 | Confident | 80.5 | Confident | 114 Ų | 114 | 102.4 Ų | 102.4 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.7 | -38.4 | 174.3 | -71.2 | 175.4 | 0 | 0 | 0 | 112.2 | E41 L42 L43 L48 A49 | E41-L45 WeakPolarHBondContact O-CG 3.46Å; E41-L45 PolarHBondContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 3.35Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.33Å; L45-L48 PolarHBondContact O-N 2.99Å; L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.18Å |
| 46 | N | 84.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -36.6 | 176.5 | -82.4 | -16.3 | 0 | 0 | 0 | 112.2 | L42 L43 L48 A49 N50 | L42-N46 VanDerWaalsContact CD2-ND2 3.25Å; L42-N46 WeakPolarHBondContact CD2-ND2 3.49Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.06Å; L43-N46 PolarHBondContact O-N 2.89Å; N46-L48 VanDerWaalsContact C-N 3.32Å; N46-A49 PolarHBondContact O-N 2.65Å; N46-N50 WeakPolarHBondContact O-CB 3.23Å; N46-N50 PolarHBondContact O-N 3.02Å |
| 47 | T | 80.5 | Confident | 76.2 | Confident | 73 Ų | 73 | 105.6 Ų | 105.6 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.9 | -37.4 | 173 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | L43 A44 | L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 3.47Å; L43-T47 PolarHBondContact O-OG1 3.43Å; A44-T47 VanDerWaalsContact C-OG1 3.31Å; A44-T47 WeakPolarHBondContact CA-OG1 3.38Å; A44-T47 PolarHBondContact O-OG1 2.96Å |
| 48 | L | 76.4 | Confident | 74.2 | Confident | 118 Ų | 118 | 106 Ų | 106 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.7 | -35.9 | 175.8 | -174.6 | 64.8 | 0 | 0 | 0 | 112.4 | A44 L45 N46 F56 | A44-L48 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact C-N 3.32Å; L48-F56 HydrophobicContact CD1-CE1 4.07Å; L48-F56 HydrophobicContact CD1-CZ 4.1Å |
| 49 | A | 77.6 | Confident | 72.3 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.9 | -15.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L45 N46 P51 | L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.18Å; N46-A49 PolarHBondContact O-N 2.65Å; A49-P51 WeakPolarHBondContact O-CD 3.46Å; A49-P51 VanDerWaalsContact O-N 3.17Å |
| 50 | N | 68.7 | Low | 70.4 | Confident | 62 Ų | 62 | 108.2 Ų | 108.2 | 33% | 0.332 | 58% | 0.58 | S | S | . | * | trans | -72.3 | 102.7 | 176.9 | -169.6 | 18.9 | 0 | 0 | 0 | 108.9 | N46 N52 D53 | N46-N50 WeakPolarHBondContact O-CB 3.23Å; N46-N50 PolarHBondContact O-N 3.02Å; N50-N52 PolarHBondContact O-N 3.47Å; N50-D53 PolarHBondContact ND2-OD1 3.44Å; N50-D53 VanDerWaalsContact ND2-OD1 3.16Å; N50-D53 PolarHBondContact ND2-OD2 3.09Å | ||
| 51 | P | 61.5 | Low | 68.5 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -3.1 | -174.6 | 36.4 | -32.7 | 0 | 0 | 0 | 112 | A49 | A49-P51 WeakPolarHBondContact O-CD 3.46Å; A49-P51 VanDerWaalsContact O-N 3.17Å |
| 52 | N | 59.6 | Low | 66.7 | Low | 124 Ų | 124 | 108.2 Ų | 108.2 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.8 | -176.5 | -55.7 | -52.2 | 0 | 0 | 0 | 112.9 | N50 D54 | N50-N52 PolarHBondContact O-N 3.47Å; N52-D54 PolarHBondContact O-N 3.26Å |
| 53 | D | 55 | Low | 64.8 | Low | 79 Ų | 79 | 107.1 Ų | 107.1 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | trans | -81.5 | 80.3 | 166.2 | -63.8 | -26.1 | 0 | 0 | 0 | 106.3 | N50 E55 F56 | N50-D53 PolarHBondContact ND2-OD1 3.44Å; N50-D53 VanDerWaalsContact ND2-OD1 3.16Å; N50-D53 PolarHBondContact ND2-OD2 3.09Å; D53-E55 PolarHBondContact O-N 2.94Å; D53-F56 PolarHBondContact O-N 2.92Å; D53-F56 VanDerWaalsContact O-N 3.08Å | ||
| 54 | D | 54.1 | Low | 63 | Low | 165 Ų | 165 | 111.4 Ų | 111.4 | 88% | 0.882 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 13.2 | 172 | -76.5 | -35.7 | 0 | 0 | 0 | 113 | N52 | N52-D54 PolarHBondContact O-N 3.26Š|
| 55 | E | 55 | Low | 61.3 | Low | 175 Ų | 175 | 112 Ų | 112 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 21.8 | 178.7 | -157.7 | 159 | -155.6 | 0 | 0 | 111.5 | D53 C57 | D53-E55 PolarHBondContact O-N 2.94Å; E55-C57 PolarHBondContact O-N 3.01Å |
| 56 | F | 50.1 | Low | 59.7 | Low | 122 Ų | 122 | 108.9 Ų | 108.9 | 54% | 0.535 | 58% | 0.583 | S | S | . | * | trans | -70.8 | 74.2 | 160.9 | -144.2 | -87.7 | 0 | 0 | 0 | 108.6 | L48 D53 E58 | L48-F56 HydrophobicContact CD1-CE1 4.07Å; L48-F56 HydrophobicContact CD1-CZ 4.1Å; D53-F56 PolarHBondContact O-N 2.92Å; D53-F56 VanDerWaalsContact O-N 3.08Å; F56-E58 PolarHBondContact O-N 3.08Å | ||
| 57 | C | 50.6 | Low | 58.3 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | trans | -68.8 | 117.4 | 178.5 | -152.8 | 0 | 0 | 0 | 0 | 107.7 | E55 E59 D60 | E55-C57 PolarHBondContact O-N 3.01Å; C57-E59 HydrophobicContact CB-CB 4.22Å; C57-E59 PolarHBondContact O-N 3.42Å; C57-E59 WeakPolarHBondContact SG-CB 3.39Å; C57-D60 PolarHBondContact O-N 3.38Å | ||
| 58 | E | 53.8 | Low | 57 | Low | 171 Ų | 171 | 109.1 Ų | 109.1 | 80% | 0.799 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -52.3 | -23.4 | 170.5 | -63.7 | -174.4 | 174.5 | 0 | 0 | 111.6 | F56 D60 C61 M62 | F56-E58 PolarHBondContact O-N 3.08Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.41Å; E58-C61 PolarHBondContact O-N 3.36Å; E58-M62 PolarHBondContact O-N 3.48Å |
| 59 | E | 55.5 | Low | 55.9 | Low | 143 Ų | 143 | 106.7 Ų | 106.7 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.4 | -41.9 | 172.1 | -150.9 | 94.5 | -148.7 | 0 | 0 | 112.4 | C57 C61 M62 T63 | C57-E59 HydrophobicContact CB-CB 4.22Å; C57-E59 PolarHBondContact O-N 3.42Å; C57-E59 WeakPolarHBondContact SG-CB 3.39Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.34Å; E59-M62 CarbonylContact O-C 3.49Å; E59-M62 WeakPolarHBondContact O-CA 3.3Å; E59-M62 WeakPolarHBondContact O-CB 3.46Å; E59-M62 PolarHBondContact O-N 3.04Å; E59-T63 PolarHBondContact O-N 3.46Å; E59-T63 PolarHBondContact O-OG1 3.26Å |
| 60 | D | 55.4 | Low | 54.8 | Low | 117 Ų | 117 | 109.8 Ų | 109.8 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.5 | -27.8 | -177.3 | -99.8 | -1.2 | 0 | 0 | 0 | 113.5 | C57 E58 M62 T63 Y64 | C57-D60 PolarHBondContact O-N 3.38Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.41Å; D60-M62 VanDerWaalsContact C-N 3.26Å; D60-T63 WeakPolarHBondContact CA-OG1 3.39Å; D60-T63 PolarHBondContact O-N 3.39Å; D60-Y64 PolarHBondContact O-N 2.64Å |
| 61 | C | 53.8 | Low | 54.2 | Low | 91 Ų | 91 | 112.6 Ų | 112.6 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.3 | -30.8 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | E58 E59 | E58-C61 PolarHBondContact O-N 3.36Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.34Å |
| 62 | M | 54 | Low | 53.8 | Low | 132 Ų | 132 | 112.9 Ų | 112.9 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.7 | -27.3 | 175 | -58.2 | -60.3 | -75.5 | 0 | 0 | 111.9 | E58 E59 D60 V65 S66 | E58-M62 PolarHBondContact O-N 3.48Å; E59-M62 CarbonylContact O-C 3.49Å; E59-M62 WeakPolarHBondContact O-CA 3.3Å; E59-M62 WeakPolarHBondContact O-CB 3.46Å; E59-M62 PolarHBondContact O-N 3.04Å; D60-M62 VanDerWaalsContact C-N 3.26Å; M62-V65 PolarHBondContact O-N 2.82Å; M62-S66 WeakPolarHBondContact O-CB 3.45Å; M62-S66 PolarHBondContact O-N 2.87Å |
| 63 | T | 53.2 | Low | 53.5 | Low | 70 Ų | 70 | 112.7 Ų | 112.7 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.8 | -35.1 | 179.4 | -34.6 | 0 | 0 | 0 | 0 | 112.4 | E59 D60 V65 S66 A67 | E59-T63 PolarHBondContact O-N 3.46Å; E59-T63 PolarHBondContact O-OG1 3.26Å; D60-T63 WeakPolarHBondContact CA-OG1 3.39Å; D60-T63 PolarHBondContact O-N 3.39Å; T63-V65 VanDerWaalsContact C-N 3.31Å; T63-V65 PolarHBondContact O-N 3.4Å; T63-S66 WeakPolarHBondContact O-CB 3.4Å; T63-S66 PolarHBondContact O-N 3.42Å; T63-A67 PolarHBondContact O-N 2.89Å |
| 64 | Y | 51 | Low | 53.4 | Low | 192 Ų | 192 | 112.1 Ų | 112.1 | 75% | 0.753 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -38.4 | 175.9 | -137.3 | -88 | 0 | 0 | 0 | 111.4 | D60 S66 | D60-Y64 PolarHBondContact O-N 2.64Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.41Å |
| 65 | V | 50.8 | Low | 53.3 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 42% | 0.418 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.9 | -32.6 | 170.4 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | M62 T63 A67 E68 D69 | M62-V65 PolarHBondContact O-N 2.82Å; T63-V65 VanDerWaalsContact C-N 3.31Å; T63-V65 PolarHBondContact O-N 3.4Å; V65-A67 PolarHBondContact O-N 3.46Å; V65-E68 VanDerWaalsContact O-CG 3.26Å; V65-E68 WeakPolarHBondContact O-CG 3.25Å; V65-E68 PolarHBondContact O-N 3.4Å; V65-D69 WeakPolarHBondContact O-CB 3.38Å; V65-D69 PolarHBondContact O-N 3.31Å |
| 66 | S | 52.9 | Low | 53.1 | Low | 50 Ų | 50 | 109.6 Ų | 109.6 | 35% | 0.35 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.7 | -30.4 | -176.6 | -166.4 | 0 | 0 | 0 | 0 | 114.3 | M62 T63 Y64 D69 E70 | M62-S66 WeakPolarHBondContact O-CB 3.45Å; M62-S66 PolarHBondContact O-N 2.87Å; T63-S66 WeakPolarHBondContact O-CB 3.4Å; T63-S66 PolarHBondContact O-N 3.42Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.41Å; S66-D69 PolarHBondContact O-N 2.92Å; S66-E70 PolarHBondContact O-N 3.37Å |
| 67 | A | 54.2 | Low | 52.9 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.1 | -36.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T63 V65 E70 L71 | T63-A67 PolarHBondContact O-N 2.89Å; V65-A67 PolarHBondContact O-N 3.46Å; A67-E70 PolarHBondContact O-N 2.93Å; A67-L71 PolarHBondContact O-N 3.17Å |
| 68 | E | 54.3 | Low | 52.5 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.6 | -31.6 | 171.2 | 44.8 | -151.2 | 172.9 | 0 | 0 | 111.9 | V65 L71 L72 | V65-E68 VanDerWaalsContact O-CG 3.26Å; V65-E68 WeakPolarHBondContact O-CG 3.25Å; V65-E68 PolarHBondContact O-N 3.4Å; E68-L71 PolarHBondContact O-N 3.02Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.28Å; E68-L72 PolarHBondContact O-N 2.93Å |
| 69 | D | 52 | Low | 51.9 | Low | 68 Ų | 68 | 114 Ų | 114 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.2 | -30 | 168.4 | -93.3 | -4.2 | 0 | 0 | 0 | 113.6 | V65 S66 L72 K73 | V65-D69 WeakPolarHBondContact O-CB 3.38Å; V65-D69 PolarHBondContact O-N 3.31Å; S66-D69 PolarHBondContact O-N 2.92Å; D69-L72 PolarHBondContact O-N 3.45Å; D69-K73 VanDerWaalsContact O-CB 3.24Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.36Å |
| 70 | E | 55.3 | Low | 51.2 | Low | 136 Ų | 136 | 113.7 Ų | 113.7 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70 | -36.8 | 171.6 | -84.8 | -170.2 | 165.1 | 0 | 0 | 111.8 | S66 A67 K73 S74 | S66-E70 PolarHBondContact O-N 3.37Å; A67-E70 PolarHBondContact O-N 2.93Å; E70-K73 PolarHBondContact O-N 3Å; E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.25Å |
| 71 | L | 55.7 | Low | 51 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -40.8 | 170.7 | -84.1 | 169.6 | 0 | 0 | 0 | 111.1 | A67 E68 S74 H75 | A67-L71 PolarHBondContact O-N 3.17Å; E68-L71 PolarHBondContact O-N 3.02Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 PolarHBondContact O-OG 3.49Å; L71-H75 PolarHBondContact O-N 3.39Å; L71-H75 VanDerWaalsContact O-N 3.08Å |
| 72 | L | 53.8 | Low | 50.8 | Low | 109 Ų | 109 | 117 Ų | 117 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67 | -39.4 | 174.3 | -69.3 | 169.9 | 0 | 0 | 0 | 112.4 | E68 D69 S74 H75 E76 | E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.28Å; E68-L72 PolarHBondContact O-N 2.93Å; D69-L72 PolarHBondContact O-N 3.45Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.39Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.36Å; L72-H75 VanDerWaalsContact O-CB 3.3Å; L72-H75 WeakPolarHBondContact O-CB 3.43Å; L72-H75 PolarHBondContact O-N 2.86Å; L72-E76 PolarHBondContact O-N 2.92Å |
| 73 | K | 53.5 | Low | 50.5 | Low | 121 Ų | 121 | 115.9 Ų | 115.9 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.7 | -34.3 | 173.6 | -82.4 | 171 | 179.9 | 163.2 | 0 | 112.5 | D69 E70 H75 E76 | D69-K73 VanDerWaalsContact O-CB 3.24Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.36Å; E70-K73 PolarHBondContact O-N 3Å; K73-H75 PolarHBondContact O-N 2.82Å; K73-E76 PolarHBondContact O-N 3.49Å |
| 74 | S | 53.5 | Low | 50.2 | Low | 67 Ų | 67 | 115.6 Ų | 115.6 | 47% | 0.469 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.1 | -28.3 | 171.7 | 80.8 | 0 | 0 | 0 | 0 | 111.7 | E70 L71 L72 | E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.25Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 PolarHBondContact O-OG 3.49Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.39Å |
| 75 | H | 50.5 | Low | 50 | Low | 139 Ų | 139 | 110.3 Ų | 110.3 | 64% | 0.644 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.7 | -29.6 | 173.5 | -116.9 | -73.5 | 0 | 0 | 0 | 113.2 | L71 L72 K73 N77 F78 | L71-H75 PolarHBondContact O-N 3.39Å; L71-H75 VanDerWaalsContact O-N 3.08Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.36Å; L72-H75 VanDerWaalsContact O-CB 3.3Å; L72-H75 WeakPolarHBondContact O-CB 3.43Å; L72-H75 PolarHBondContact O-N 2.86Å; K73-H75 PolarHBondContact O-N 2.82Å; H75-N77 PolarHBondContact O-N 3.44Å; H75-F78 PolarHBondContact O-N 3.17Å |
| 76 | E | 51.1 | Low | 50.3 | Low | 148 Ų | 148 | 114.4 Ų | 114.4 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -20.1 | 176.8 | -96.9 | -170.3 | 150.7 | 0 | 0 | 113.7 | L72 K73 F78 | L72-E76 PolarHBondContact O-N 2.92Å; K73-E76 PolarHBondContact O-N 3.49Å; E76-F78 PolarHBondContact O-N 3.15Å |
| 77 | N | 45.5 | Very low | 50.6 | Low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -3.1 | 175.4 | -80.3 | -28 | 0 | 0 | 0 | 113.9 | H75 N79 | H75-N77 PolarHBondContact O-N 3.44Å; N77-N79 VanDerWaalsContact C-N 3.34Å; N77-N79 PolarHBondContact O-N 3.25Å; N77-N79 VanDerWaalsContact O-N 3.1Å |
| 78 | F | 42.3 | Very low | 51.2 | Low | 159 Ų | 159 | 127.3 Ų | 127.3 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -77.1 | 95.2 | 158.4 | -82.9 | -85.4 | 0 | 0 | 0 | 108.1 | H75 E76 D80 | H75-F78 PolarHBondContact O-N 3.17Å; E76-F78 PolarHBondContact O-N 3.15Å; F78-D80 PolarHBondContact O-N 2.82Å |
| 79 | N | 40.9 | Very low | 51.7 | Low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | trans | -55.3 | 68.5 | 161.6 | -78.4 | -46.7 | 0 | 0 | 0 | 110.8 | N77 S81 | N77-N79 VanDerWaalsContact C-N 3.34Å; N77-N79 PolarHBondContact O-N 3.25Å; N77-N79 VanDerWaalsContact O-N 3.1Å; N79-S81 PolarHBondContact O-N 3.34Å | ||
| 80 | D | 40.7 | Very low | 52.4 | Low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | -97.3 | 82.3 | 159.8 | -87.2 | -17.9 | 0 | 0 | 0 | 106.9 | F78 N82 | F78-D80 PolarHBondContact O-N 2.82Å; D80-N82 PolarHBondContact O-N 2.85Å | ||
| 81 | S | 51.8 | Low | 53.2 | Low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -36.2 | 129.7 | 153.3 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | N79 | N79-S81 PolarHBondContact O-N 3.34Š| ||
| 82 | N | 49.4 | Very low | 53.8 | Low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | 107 | 37.4 | 166.4 | -146.8 | 36.8 | 0 | 0 | 0 | 117.9 | D80 | D80-N82 PolarHBondContact O-N 2.85Š| ||
| 83 | C | 48.2 | Very low | 54.7 | Low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -113.5 | 67.6 | 155.2 | -157.4 | 0 | 0 | 0 | 0 | 109.8 | V85 | C83-V85 PolarHBondContact O-N 3.21Š| ||
| 84 | G | 47 | Very low | 55.5 | Low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -73.6 | 57.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N86 | G84-N86 VanDerWaalsContact C-N 3.31Å; G84-N86 PolarHBondContact O-N 2.91Å; G84-N86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | V | 47.2 | Very low | 56.3 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 49% | 0.491 | 70% | 0.701 | S | S | . | * | trans | -82.8 | 88.2 | 170.4 | -173.4 | 0 | 0 | 0 | 0 | 106.7 | C83 Y87 | C83-V85 PolarHBondContact O-N 3.21Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CE1 4.11Å; V85-Y87 HydrophobicContact CG1-CE2 4.42Å; V85-Y87 WeakPolarHBondContact O-CD2 3.46Å; V85-Y87 PolarHBondContact O-N 3.48Å; V85-Y87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | N | 56.2 | Low | 57.5 | Low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | -65.8 | 104.8 | 167.9 | -62.3 | -39.6 | 0 | 0 | 0 | 107 | G84 E88 | G84-N86 VanDerWaalsContact C-N 3.31Å; G84-N86 PolarHBondContact O-N 2.91Å; G84-N86 VanDerWaalsContact O-N 3.13Å; N86-E88 PolarHBondContact O-N 3.47Å | ||
| 87 | Y | 59.5 | Low | 58.8 | Low | 212 Ų | 212 | 126.2 Ų | 126.2 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -69.5 | 122 | 169.5 | -62.8 | -82.1 | 0 | 0 | 0 | 108.3 | V85 | V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CE1 4.11Å; V85-Y87 HydrophobicContact CG1-CE2 4.42Å; V85-Y87 WeakPolarHBondContact O-CD2 3.46Å; V85-Y87 PolarHBondContact O-N 3.48Å; V85-Y87 VanDerWaalsContact O-N 3.08Å | ||
| 88 | E | 67.6 | Low | 60.4 | Low | 173 Ų | 173 | 122 Ų | 122 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | trans | -95.4 | 129.3 | 172.5 | -173.6 | 171.2 | -168.1 | 0 | 0 | 109.1 | N86 V90 | N86-E88 PolarHBondContact O-N 3.47Å; E88-V90 PolarHBondContact O-N 2.97Å | ||
| 89 | L | 64.4 | Low | 62.1 | Low | 181 Ų | 181 | 122.1 Ų | 122.1 | 95% | 0.948 | 67% | 0.671 | S | S | * | * | trans | -75.6 | 110.1 | 173.8 | -72.4 | 166.6 | 0 | 0 | 0 | 108.5 | ||||
| 90 | V | 66.4 | Low | 64.2 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | trans | -90.8 | 120.4 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | E88 L92 | E88-V90 PolarHBondContact O-N 2.97Å; V90-L92 PolarHBondContact O-N 3.32Å | ||
| 91 | D | 72.4 | Confident | 66.2 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -77.5 | 107.5 | 171.9 | -170.2 | -11.5 | 0 | 0 | 0 | 109.5 | N93 D94 | D91-N93 PolarHBondContact O-N 3.08Å; D91-N93 WeakPolarHBondContact OD1-CB 3.16Å; D91-N93 PolarHBondContact OD1-N 3.27Å; D91-N93 PolarHBondContact OD1-ND2 2.89Å; D91-D94 PolarHBondContact O-N 3.17Å | ||
| 92 | L | 66.9 | Low | 67.9 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66 | -19.4 | -177.5 | -65.7 | 172.7 | 0 | 0 | 0 | 112.9 | V90 D95 V96 | V90-L92 PolarHBondContact O-N 3.32Å; L92-D95 PolarHBondContact O-N 3.21Å; L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 2.81Å; L92-V96 VanDerWaalsContact O-N 3.13Å |
| 93 | N | 74.1 | Confident | 69.5 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.7 | -34.6 | -179 | -69.3 | -44.8 | 0 | 0 | 0 | 112.7 | D91 D95 | D91-N93 PolarHBondContact O-N 3.08Å; D91-N93 WeakPolarHBondContact OD1-CB 3.16Å; D91-N93 PolarHBondContact OD1-N 3.27Å; D91-N93 PolarHBondContact OD1-ND2 2.89Å; N93-D95 VanDerWaalsContact C-N 3.32Å |
| 94 | D | 70.2 | Confident | 71.4 | Confident | 123 Ų | 123 | 109.7 Ų | 109.7 | 66% | 0.658 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | 175.1 | -77.4 | -13.9 | 0 | 0 | 0 | 110.6 | D91 T97 | D91-D94 PolarHBondContact O-N 3.17Å; D94-T97 PolarHBondContact O-OG1 3.36Å |
| 95 | D | 69.5 | Low | 73.4 | Confident | 71 Ų | 71 | 113 Ų | 113 | 38% | 0.38 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.1 | -22.3 | -177.4 | -94 | -13 | 0 | 0 | 0 | 114.4 | L92 N93 T97 A98 Y99 | L92-D95 PolarHBondContact O-N 3.21Å; N93-D95 VanDerWaalsContact C-N 3.32Å; D95-T97 PolarHBondContact O-N 2.74Å; D95-A98 PolarHBondContact O-N 3.04Å; D95-A98 VanDerWaalsContact O-N 3.17Å; D95-Y99 WeakPolarHBondContact O-CB 3.29Å; D95-Y99 PolarHBondContact O-N 2.92Å |
| 96 | V | 75.6 | Confident | 75.1 | Confident | 81 Ų | 81 | 113.6 Ų | 113.6 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.1 | -41.6 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | L92 A98 Y99 E100 | L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 2.81Å; L92-V96 VanDerWaalsContact O-N 3.13Å; V96-A98 PolarHBondContact O-N 3.24Å; V96-Y99 PolarHBondContact O-N 3.44Å; V96-E100 VanDerWaalsContact O-CB 3.31Å; V96-E100 WeakPolarHBondContact O-CB 3.2Å; V96-E100 PolarHBondContact O-N 2.98Å |
| 97 | T | 78.4 | Confident | 76.4 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67 | -38.2 | -178.9 | 63 | 0 | 0 | 0 | 0 | 112.5 | D94 D95 A101 | D94-T97 PolarHBondContact O-OG1 3.36Å; D95-T97 PolarHBondContact O-N 2.74Å; T97-A101 WeakPolarHBondContact O-CB 3.36Å; T97-A101 PolarHBondContact O-N 3.38Å |
| 98 | A | 79.8 | Confident | 77.6 | Confident | 48 Ų | 48 | 106.7 Ų | 106.7 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.5 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D95 V96 S102 | D95-A98 PolarHBondContact O-N 3.04Å; D95-A98 VanDerWaalsContact O-N 3.17Å; V96-A98 PolarHBondContact O-N 3.24Å; A98-S102 WeakPolarHBondContact O-CB 3.08Å; A98-S102 PolarHBondContact O-N 3.4Å; A98-S102 PolarHBondContact O-OG 3.34Å |
| 99 | Y | 77.3 | Confident | 78.3 | Confident | 161 Ų | 161 | 103.7 Ų | 103.7 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -46.7 | 174.3 | -111.8 | -82.3 | 0 | 0 | 0 | 111.6 | D95 V96 A101 S102 I103 | D95-Y99 WeakPolarHBondContact O-CB 3.29Å; D95-Y99 PolarHBondContact O-N 2.92Å; V96-Y99 PolarHBondContact O-N 3.44Å; Y99-A101 PolarHBondContact O-N 2.93Å; Y99-S102 WeakPolarHBondContact O-CA 3.48Å; Y99-S102 WeakPolarHBondContact O-CB 3.33Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.08Å; Y99-I103 WeakPolarHBondContact O-CG1 3.13Å; Y99-I103 PolarHBondContact O-N 3.35Å |
| 100 | E | 85.1 | Confident | 79.1 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.2 | -170.5 | 174.8 | -163.6 | 0 | 0 | 111.3 | V96 S102 I103 N104 | V96-E100 VanDerWaalsContact O-CB 3.31Å; V96-E100 WeakPolarHBondContact O-CB 3.2Å; V96-E100 PolarHBondContact O-N 2.98Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.16Å; E100-I103 PolarHBondContact O-N 2.85Å; E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.42Å |
| 101 | A | 84.2 | Confident | 79.5 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T97 Y99 K105 | T97-A101 WeakPolarHBondContact O-CB 3.36Å; T97-A101 PolarHBondContact O-N 3.38Å; Y99-A101 PolarHBondContact O-N 2.93Å; A101-K105 PolarHBondContact O-N 3.13Å; A101-K105 VanDerWaalsContact O-N 3.09Å |
| 102 | S | 85.5 | Confident | 79.4 | Confident | 67 Ų | 67 | 103.3 Ų | 103.3 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | A98 Y99 E100 K105 I106 | A98-S102 WeakPolarHBondContact O-CB 3.08Å; A98-S102 PolarHBondContact O-N 3.4Å; A98-S102 PolarHBondContact O-OG 3.34Å; Y99-S102 WeakPolarHBondContact O-CA 3.48Å; Y99-S102 WeakPolarHBondContact O-CB 3.33Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.08Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.16Å; S102-K105 PolarHBondContact O-N 3.43Å; S102-I106 WeakPolarHBondContact O-CG1 3.43Å; S102-I106 PolarHBondContact O-N 3.04Å |
| 103 | I | 83.5 | Confident | 79.5 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 174.8 | -67.2 | 167.7 | 0 | 0 | 0 | 110.2 | Y99 E100 K105 I106 D107 | Y99-I103 WeakPolarHBondContact O-CG1 3.13Å; Y99-I103 PolarHBondContact O-N 3.35Å; E100-I103 PolarHBondContact O-N 2.85Å; I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 PolarHBondContact O-N 2.99Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.22Å; I103-D107 PolarHBondContact O-N 3.45Å |
| 104 | N | 87.6 | Confident | 78.8 | Confident | 85 Ų | 85 | 101 Ų | 101 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 177.8 | -71.8 | -29.6 | 0 | 0 | 0 | 112.2 | E100 I106 D107 E108 | E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.42Å; N104-I106 PolarHBondContact O-N 3.43Å; N104-D107 PolarHBondContact O-N 3.24Å; N104-E108 PolarHBondContact O-N 3.26Å |
| 105 | K | 89.9 | Confident | 78.4 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -36.6 | 174.8 | -172.7 | -179 | -179 | -179.1 | 0 | 112.8 | A101 S102 I103 Q109 | A101-K105 PolarHBondContact O-N 3.13Å; A101-K105 VanDerWaalsContact O-N 3.09Å; S102-K105 PolarHBondContact O-N 3.43Å; I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 PolarHBondContact O-N 2.99Å; K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.31Å |
| 106 | I | 82 | Confident | 77.7 | Confident | 93 Ų | 93 | 106.9 Ų | 106.9 | 48% | 0.477 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -42.8 | 175.8 | -68.9 | 166.1 | 0 | 0 | 0 | 109.7 | S102 I103 N104 E108 Q109 I110 | S102-I106 WeakPolarHBondContact O-CG1 3.43Å; S102-I106 PolarHBondContact O-N 3.04Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.22Å; N104-I106 PolarHBondContact O-N 3.43Å; I106-E108 PolarHBondContact O-N 2.61Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.08Å |
| 107 | D | 84.8 | Confident | 76.6 | Confident | 81 Ų | 81 | 111.9 Ų | 111.9 | 43% | 0.433 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -41 | 178.6 | -80.1 | -10.6 | 0 | 0 | 0 | 112.5 | I103 N104 Q109 I110 Q111 | I103-D107 PolarHBondContact O-N 3.45Å; N104-D107 PolarHBondContact O-N 3.24Å; D107-Q109 VanDerWaalsContact C-N 3.32Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-I110 PolarHBondContact O-N 2.82Å; D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.39Å |
| 108 | E | 83.4 | Confident | 75.2 | Confident | 141 Ų | 141 | 111.5 Ų | 111.5 | 66% | 0.659 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -42.1 | 172.2 | -75.6 | -175.2 | 171.6 | 0 | 0 | 112.1 | N104 I106 Q111 S112 | N104-E108 PolarHBondContact O-N 3.26Å; I106-E108 PolarHBondContact O-N 2.61Å; E108-Q111 PolarHBondContact O-N 3.39Å; E108-S112 WeakPolarHBondContact O-CB 3.45Å; E108-S112 PolarHBondContact O-N 2.84Å |
| 109 | Q | 84 | Confident | 73.3 | Confident | 109 Ų | 109 | 117.9 Ų | 117.9 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 176.8 | -72.7 | 176.6 | 18.8 | 0 | 0 | 111.5 | K105 I106 D107 S112 I113 | K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.31Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; D107-Q109 VanDerWaalsContact C-N 3.32Å; D107-Q109 PolarHBondContact O-N 3.05Å; Q109-S112 PolarHBondContact O-N 2.8Å; Q109-S112 PolarHBondContact O-OG 3.32Å; Q109-I113 WeakPolarHBondContact O-CG1 3.3Å; Q109-I113 PolarHBondContact O-N 2.77Å |
| 110 | I | 79.7 | Confident | 71.7 | Confident | 100 Ų | 100 | 115.2 Ų | 115.2 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.2 | -42.6 | 179.1 | -67.5 | 168.7 | 0 | 0 | 0 | 110.7 | I106 D107 S112 I113 | I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.08Å; D107-I110 PolarHBondContact O-N 2.82Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.08Å; I110-I113 WeakPolarHBondContact O-CB 3.41Å; I110-I113 PolarHBondContact O-N 2.72Å |
| 111 | Q | 76 | Confident | 69.3 | Low | 169 Ų | 169 | 114.6 Ų | 114.6 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -31.7 | 175.6 | -72.4 | -175.9 | 23.8 | 0 | 0 | 112.8 | D107 E108 I113 | D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.39Å; E108-Q111 PolarHBondContact O-N 3.39Å; Q111-I113 PolarHBondContact O-N 2.9Å |
| 112 | S | 70.3 | Confident | 67.1 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.6 | -14.5 | 177.3 | 78.8 | 0 | 0 | 0 | 0 | 114.1 | E108 Q109 I110 D114 | E108-S112 WeakPolarHBondContact O-CB 3.45Å; E108-S112 PolarHBondContact O-N 2.84Å; Q109-S112 PolarHBondContact O-N 2.8Å; Q109-S112 PolarHBondContact O-OG 3.32Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.08Å; S112-D114 PolarHBondContact O-N 2.78Å |
| 113 | I | 69.1 | Low | 64.7 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 91.7 | 174.4 | -59.5 | 168.4 | 0 | 0 | 0 | 108.1 | Q109 I110 Q111 V115 | Q109-I113 WeakPolarHBondContact O-CG1 3.3Å; Q109-I113 PolarHBondContact O-N 2.77Å; I110-I113 WeakPolarHBondContact O-CB 3.41Å; I110-I113 PolarHBondContact O-N 2.72Å; Q111-I113 PolarHBondContact O-N 2.9Å; I113-V115 PolarHBondContact O-N 3.48Å | ||
| 114 | D | 59.3 | Low | 62.5 | Low | 93 Ų | 93 | 130.4 Ų | 130.4 | 50% | 0.497 | 66% | 0.659 | S | S | . | * | trans | -64 | 99.1 | 167.8 | -176.5 | 5.5 | 0 | 0 | 0 | 109.2 | S112 R116 K117 | S112-D114 PolarHBondContact O-N 2.78Å; D114-R116 PolarHBondContact O-N 2.99Å; D114-R116 VanDerWaalsContact OD1-CB 3.32Å; D114-R116 WeakPolarHBondContact OD1-CB 3.39Å; D114-R116 WeakPolarHBondContact OD1-CG 3.47Å; D114-R116 PolarHBondContact OD1-N 3.37Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å; D114-K117 PolarHBondContact O-N 3.43Å | ||
| 115 | V | 61.9 | Low | 60.3 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -17.5 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | I113 K117 S118 | I113-V115 PolarHBondContact O-N 3.48Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.49Å; V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 PolarHBondContact O-OG 2.84Å; V115-S118 VanDerWaalsContact O-OG 3.06Å |
| 116 | R | 54.8 | Low | 57.5 | Low | 205 Ų | 205 | 132 Ų | 132 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18.3 | 175.6 | -63 | -174.8 | -179.2 | -165.3 | 2.7 | 114 | D114 | D114-R116 PolarHBondContact O-N 2.99Å; D114-R116 VanDerWaalsContact OD1-CB 3.32Å; D114-R116 WeakPolarHBondContact OD1-CB 3.39Å; D114-R116 WeakPolarHBondContact OD1-CG 3.47Å; D114-R116 PolarHBondContact OD1-N 3.37Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å |
| 117 | K | 51.1 | Low | 55.5 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -89.6 | -14.2 | 175.7 | -76.4 | -169.3 | 179.9 | 176.7 | 0 | 114.4 | D114 V115 K119 | D114-K117 PolarHBondContact O-N 3.43Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.49Å; K117-K119 PolarHBondContact O-N 3.34Å |
| 118 | S | 49.9 | Very low | 53.3 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | -83.2 | 47.3 | 169.6 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | V115 S120 | V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 PolarHBondContact O-OG 2.84Å; V115-S118 VanDerWaalsContact O-OG 3.06Å; S118-S120 PolarHBondContact O-N 2.98Å | ||
| 119 | K | 41 | Very low | 51.9 | Low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.787 | 72% | 0.719 | S | S | * | * | trans | -77.7 | 122.4 | 164.6 | -84.3 | -176.9 | 178.1 | 178.8 | 0 | 108.9 | K117 | K117-K119 PolarHBondContact O-N 3.34Š| ||
| 120 | S | 41.8 | Very low | 50.2 | Low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | 69.2 | 96.5 | 143.7 | 166.3 | 0 | 0 | 0 | 0 | 116.6 | S118 | S118-S120 PolarHBondContact O-N 2.98Š| ||
| 121 | C | 35.7 | Very low | 48.5 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | -173.4 | 65.2 | 127.9 | -102.7 | 0 | 0 | 0 | 0 | 110.6 | T123 | C121-T123 PolarHBondContact O-N 3.34Š| |||
| 122 | F | 37.7 | Very low | 47.1 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 97% | 0.965 | 74% | 0.735 | S | S | * | * | trans | -89.5 | 75.7 | 150.9 | -81 | -76 | 0 | 0 | 0 | 107.6 | K124 | F122-K124 PolarHBondContact O-N 3.42Š| ||
| 123 | T | 36 | Very low | 46.3 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -64.3 | 118.9 | 159.6 | 41 | 0 | 0 | 0 | 0 | 107.9 | C121 G125 | C121-T123 PolarHBondContact O-N 3.34Å; T123-G125 PolarHBondContact O-N 3.3Å | ||
| 124 | K | 36.6 | Very low | 45.6 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -30.4 | 113.1 | 164.7 | -136.5 | 173.6 | -176.6 | 178.4 | 0 | 111.7 | F122 | F122-K124 PolarHBondContact O-N 3.42Š|
| 125 | G | 40.7 | Very low | 45.6 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 96.5 | 85.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T123 | T123-G125 PolarHBondContact O-N 3.3Š| ||
| 126 | Q | 32 | Very low | 45.7 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -153.6 | 123.4 | 143.5 | -125.8 | 169.4 | 3 | 0 | 0 | 109.9 | I128 | Q126-I128 PolarHBondContact O-N 2.93Š| ||
| 127 | N | 39.3 | Very low | 45.9 | Very low | 171 Ų | 171 | 138 Ų | 138 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | trans | -62.6 | 113.3 | -178 | -62.6 | -34.7 | 0 | 0 | 0 | 110.7 | ||||
| 128 | I | 40.1 | Very low | 46.4 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | -135.1 | 115.4 | 169.3 | -50.8 | 170.6 | 0 | 0 | 0 | 109.4 | Q126 | Q126-I128 PolarHBondContact O-N 2.93Š| ||
| 129 | S | 52.4 | Low | 47 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 79.8 | -0.4 | 149.9 | 67.4 | 0 | 0 | 0 | 0 | 124.7 | L131 | S129-L131 VanDerWaalsContact C-N 3.27Å; S129-L131 PolarHBondContact O-N 2.79Å |
| 130 | T | 48.6 | Very low | 47.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -10.9 | 166.9 | 34.5 | 0 | 0 | 0 | 0 | 114.4 | T133 | T130-T133 PolarHBondContact O-OG1 3.38Š|
| 131 | L | 45.4 | Very low | 48.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.9 | -25.8 | -178.5 | -138.9 | 96.1 | 0 | 0 | 0 | 113.8 | S129 T133 F134 D135 | S129-L131 VanDerWaalsContact C-N 3.27Å; S129-L131 PolarHBondContact O-N 2.79Å; L131-T133 PolarHBondContact O-N 3.08Å; L131-F134 PolarHBondContact O-N 3.37Å; L131-D135 PolarHBondContact O-N 3.39Å |
| 132 | K | 45.4 | Very low | 50.1 | Low | 171 Ų | 171 | 128.3 Ų | 128.3 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.9 | -30.3 | -172.7 | -78.5 | -169.7 | 175.3 | -174.5 | 0 | 114.1 | F136 | K132-F136 PolarHBondContact O-N 3.13Å |
| 133 | T | 53.3 | Low | 50.8 | Low | 96 Ų | 96 | 122.1 Ų | 122.1 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.2 | -35.7 | 178.2 | 32.3 | 0 | 0 | 0 | 0 | 112.3 | T130 L131 F136 L137 | T130-T133 PolarHBondContact O-OG1 3.38Å; L131-T133 PolarHBondContact O-N 3.08Å; T133-F136 PolarHBondContact O-N 2.92Å; T133-L137 PolarHBondContact O-N 3.46Å |
| 134 | F | 54.6 | Low | 51.6 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67 | -40.5 | 176.3 | -83.4 | -81.4 | 0 | 0 | 0 | 111.9 | L131 F136 L137 T138 | L131-F134 PolarHBondContact O-N 3.37Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.28Å; F134-L137 PolarHBondContact O-N 3.47Å; F134-T138 WeakPolarHBondContact O-CB 3.38Å; F134-T138 PolarHBondContact O-N 3.28Å; F134-T138 PolarHBondContact O-OG1 3.43Å |
| 135 | D | 59.1 | Low | 52.6 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 55% | 0.551 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.3 | -36.8 | 178.4 | -73.1 | -21.3 | 0 | 0 | 0 | 112.4 | L131 G139 | L131-D135 PolarHBondContact O-N 3.39Å; D135-G139 PolarHBondContact O-N 3.28Å |
| 136 | F | 63.8 | Low | 53 | Low | 150 Ų | 150 | 125.2 Ų | 125.2 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.5 | -45.8 | 179.3 | -166.3 | -99.2 | 0 | 0 | 0 | 112.6 | K132 T133 F134 T138 G139 L140 | K132-F136 PolarHBondContact O-N 3.13Å; T133-F136 PolarHBondContact O-N 2.92Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.28Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.9Å; F136-G139 PolarHBondContact O-N 3.15Å; F136-L140 HydrophobicContact CD1-CD1 3.75Å; F136-L140 HydrophobicContact CD1-CG 4.44Å; F136-L140 HydrophobicContact CE1-CD1 3.53Å; F136-L140 HydrophobicContact CE1-CG 4.21Å; F136-L140 HydrophobicContact CZ-CD1 4.44Å; F136-L140 PolarHBondContact O-N 2.93Å |
| 137 | L | 59.3 | Low | 53.4 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 176.9 | -110.3 | 142 | 0 | 0 | 0 | 111.7 | T133 F134 G139 L140 I141 | T133-L137 PolarHBondContact O-N 3.46Å; F134-L137 PolarHBondContact O-N 3.47Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.2Å; L137-L140 PolarHBondContact O-N 2.88Å; L137-I141 HydrophobicContact CD2-CD1 4.42Å; L137-I141 WeakPolarHBondContact O-CD1 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.3Å; L137-I141 PolarHBondContact O-N 3.08Å; L137-I141 VanDerWaalsContact O-N 3.08Å |
| 138 | T | 61.8 | Low | 53.7 | Low | 71 Ų | 71 | 125.1 Ų | 125.1 | 44% | 0.436 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.7 | -30.3 | 177.2 | -39.8 | 0 | 0 | 0 | 0 | 111.6 | F134 F136 N142 | F134-T138 WeakPolarHBondContact O-CB 3.38Å; F134-T138 PolarHBondContact O-N 3.28Å; F134-T138 PolarHBondContact O-OG1 3.43Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.9Å; T138-N142 WeakPolarHBondContact O-CB 3.3Å; T138-N142 PolarHBondContact O-N 3.04Å; T138-N142 PolarHBondContact O-ND2 2.85Å |
| 139 | G | 63.3 | Low | 53.7 | Low | 38 Ų | 38 | 124.1 Ų | 124.1 | 39% | 0.392 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.8 | -50.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | D135 F136 L137 I141 N142 D143 | D135-G139 PolarHBondContact O-N 3.28Å; F136-G139 PolarHBondContact O-N 3.15Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.2Å; G139-I141 PolarHBondContact O-N 3.08Å; G139-N142 PolarHBondContact O-N 3.41Å; G139-D143 WeakPolarHBondContact O-CB 3.24Å; G139-D143 PolarHBondContact O-N 3.47Å |
| 140 | L | 60 | Low | 53.2 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -60 | -41.9 | 178.8 | -80 | 165.8 | 0 | 0 | 0 | 113.3 | F136 L137 N142 D143 | F136-L140 HydrophobicContact CD1-CD1 3.75Å; F136-L140 HydrophobicContact CD1-CG 4.44Å; F136-L140 HydrophobicContact CE1-CD1 3.53Å; F136-L140 HydrophobicContact CE1-CG 4.21Å; F136-L140 HydrophobicContact CZ-CD1 4.44Å; F136-L140 PolarHBondContact O-N 2.93Å; L137-L140 PolarHBondContact O-N 2.88Å; L140-N142 VanDerWaalsContact C-N 3.31Å; L140-N142 PolarHBondContact O-N 3.05Å; L140-D143 PolarHBondContact O-N 3.44Å |
| 141 | I | 63.1 | Low | 52.6 | Low | 133 Ų | 133 | 124.3 Ų | 124.3 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.4 | -32.8 | -179.4 | -66 | 164.5 | 0 | 0 | 0 | 111.5 | L137 G139 | L137-I141 HydrophobicContact CD2-CD1 4.42Å; L137-I141 WeakPolarHBondContact O-CD1 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.3Å; L137-I141 PolarHBondContact O-N 3.08Å; L137-I141 VanDerWaalsContact O-N 3.08Å; G139-I141 PolarHBondContact O-N 3.08Å |
| 142 | N | 60.4 | Low | 52.2 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.7 | -4.6 | -178.9 | -70.5 | -48.5 | 0 | 0 | 0 | 113.7 | T138 G139 L140 R144 | T138-N142 WeakPolarHBondContact O-CB 3.3Å; T138-N142 PolarHBondContact O-N 3.04Å; T138-N142 PolarHBondContact O-ND2 2.85Å; G139-N142 PolarHBondContact O-N 3.41Å; L140-N142 VanDerWaalsContact C-N 3.31Å; L140-N142 PolarHBondContact O-N 3.05Å; N142-R144 VanDerWaalsContact C-N 3.3Å; N142-R144 PolarHBondContact O-N 3.5Å |
| 143 | D | 52.8 | Low | 52 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 48% | 0.481 | 65% | 0.654 | S | S | . | * | trans | -74 | 84.9 | -179 | -151.9 | -15.2 | 0 | 0 | 0 | 110.5 | G139 L140 S145 | G139-D143 WeakPolarHBondContact O-CB 3.24Å; G139-D143 PolarHBondContact O-N 3.47Å; L140-D143 PolarHBondContact O-N 3.44Å; D143-S145 PolarHBondContact O-N 2.84Å; D143-S145 VanDerWaalsContact O-N 3.08Å; D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.38Å; D143-S145 PolarHBondContact OD1-OG 3.44Å; D143-S145 PolarHBondContact OD2-OG 2.74Å | ||
| 144 | R | 51.1 | Low | 51.5 | Low | 235 Ų | 235 | 123 Ų | 123 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 6.7 | 171.9 | -76.4 | -176.9 | 173.3 | -177.6 | -2 | 113.1 | N142 L146 | N142-R144 VanDerWaalsContact C-N 3.3Å; N142-R144 PolarHBondContact O-N 3.5Å; R144-L146 PolarHBondContact O-N 2.87Å |
| 145 | S | 57.7 | Low | 50.6 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -19.6 | 172.6 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | D143 K147 | D143-S145 PolarHBondContact O-N 2.84Å; D143-S145 VanDerWaalsContact O-N 3.08Å; D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.38Å; D143-S145 PolarHBondContact OD1-OG 3.44Å; D143-S145 PolarHBondContact OD2-OG 2.74Å; S145-K147 PolarHBondContact O-N 3.42Å |
| 146 | L | 49.3 | Very low | 49.9 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -70.9 | 69.5 | 160.9 | -60.3 | -179.9 | 0 | 0 | 0 | 108.9 | R144 L148 | R144-L146 PolarHBondContact O-N 2.87Å; L146-L148 PolarHBondContact O-N 2.71Å | ||
| 147 | K | 41.2 | Very low | 49.1 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | trans | -51.7 | 101.7 | 154.7 | -93.2 | 176.8 | 173.7 | 175.7 | 0 | 105.3 | S145 T149 | S145-K147 PolarHBondContact O-N 3.42Å; K147-T149 PolarHBondContact O-N 2.91Å | ||
| 148 | L | 45.4 | Very low | 48.2 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 90% | 0.901 | 69% | 0.694 | S | S | * | * | trans | -56.6 | 84.3 | 154.9 | -74.4 | 158.5 | 0 | 0 | 0 | 105.3 | L146 S150 | L146-L148 PolarHBondContact O-N 2.71Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.47Å | ||
| 149 | T | 40.8 | Very low | 47.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | trans | -57.6 | 106.1 | 161.1 | 43 | 0 | 0 | 0 | 0 | 103.8 | K147 C151 | K147-T149 PolarHBondContact O-N 2.91Å; T149-C151 VanDerWaalsContact C-N 3.26Å; T149-C151 PolarHBondContact O-N 3.34Å | ||
| 150 | S | 41.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -54.1 | 90.6 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | L148 L152 | L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.47Å; S150-L152 PolarHBondContact O-N 2.69Å | ||
| 151 | C | 36.2 | Very low | 46.1 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -70.5 | 81.4 | 149.7 | -74.3 | 0 | 0 | 0 | 0 | 104.8 | T149 | T149-C151 VanDerWaalsContact C-N 3.26Å; T149-C151 PolarHBondContact O-N 3.34Å | ||
| 152 | L | 36.9 | Very low | 45.2 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | -49.4 | 130.8 | 161.3 | -77.6 | 160.1 | 0 | 0 | 0 | 106.6 | S150 V154 | S150-L152 PolarHBondContact O-N 2.69Å; L152-V154 PolarHBondContact O-N 3.22Å; L152-V154 VanDerWaalsContact O-N 3.15Å | ||
| 153 | P | 40.7 | Very low | 44.4 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -58 | 123.3 | 170.8 | 24.4 | -30.7 | 0 | 0 | 0 | 107.5 | D155 | P153-D155 PolarHBondContact O-N 3.31Š| ||
| 154 | V | 42.1 | Very low | 44 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 113.8 | 167.1 | 172.6 | 0 | 0 | 0 | 0 | 106 | L152 I156 | L152-V154 PolarHBondContact O-N 3.22Å; L152-V154 VanDerWaalsContact O-N 3.15Å; V154-I156 HydrophobicContact CG1-CG1 4.45Å; V154-I156 PolarHBondContact O-N 3.32Å; V154-I156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | D | 37.6 | Very low | 43.6 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 107.2 | 168.8 | -68.6 | -47.7 | 0 | 0 | 0 | 108.1 | P153 D157 | P153-D155 PolarHBondContact O-N 3.31Å; D155-D157 PolarHBondContact O-N 3.31Å | ||
| 156 | I | 44 | Very low | 42.7 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -90.3 | 96.5 | 167.9 | -61.4 | 173.8 | 0 | 0 | 0 | 106 | V154 | V154-I156 HydrophobicContact CG1-CG1 4.45Å; V154-I156 PolarHBondContact O-N 3.32Å; V154-I156 VanDerWaalsContact O-N 3.08Å | ||
| 157 | D | 45.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -59.1 | 150.1 | 175.7 | -86.2 | -39.2 | 0 | 0 | 0 | 112.8 | D155 | D155-D157 PolarHBondContact O-N 3.31Š| ||
| 158 | H | 41.4 | Very low | 42.3 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -59.8 | 142.5 | -166 | -71.2 | -80 | 0 | 0 | 0 | 116.6 | ||||
| 159 | S | 42.3 | Very low | 42.1 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -5.8 | 116.6 | 150.1 | -50 | 0 | 0 | 0 | 0 | 116.2 | E161 | S159-E161 PolarHBondContact O-N 3.1Š| ||
| 160 | S | 50.6 | Low | 42.2 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 115.8 | 159 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 161 | E | 47.9 | Very low | 42.3 | Very low | 268 Ų | 268 | 146.5 Ų | 146.5 | 100% | 1.252 | 82% | 0.822 | S | S | * | * | trans | -82.1 | 0 | 143 | -96.6 | -178.4 | 155.1 | 0 | 0 | 109.3 | S159 | S159-E161 PolarHBondContact O-N 3.1Š|
Retrieved 161 of 161 residues in 167.8 ms
(Link to these results)