| 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 | 39.6 | Very low | 44.3 | Very low | 236 Ų | 236 | 137.7 Ų | 137.7 | 100% | 1.163 | 69% | 0.693 | S | S | * | * | 0 | 110.9 | 0 | -75.2 | 173.6 | 172 | 0 | 0 | 106.8 | |||||
| 2 | N | 44.3 | Very low | 44.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 67% | 0.669 | S | S | * | * | trans | -80.2 | 134.4 | -165.8 | -75.6 | -23.2 | 0 | 0 | 0 | 111.7 | ||||
| 3 | H | 40.4 | Very low | 45.5 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | trans | -65.1 | 128.4 | -169.2 | -68.7 | -60.6 | 0 | 0 | 0 | 114.1 | C5 | H3-C5 PolarHBondContact O-N 3.11Å; H3-C5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | P | 49.1 | Very low | 46 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 5.3 | 174.3 | 28.7 | -33.2 | 0 | 0 | 0 | 114.3 | ||
| 5 | C | 41.8 | Very low | 46.8 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -14.5 | -170.6 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | H3 | H3-C5 PolarHBondContact O-N 3.11Å; H3-C5 VanDerWaalsContact O-N 3.1Å |
| 6 | I | 43.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 61% | 0.605 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | -175.5 | -57.9 | 178.1 | 0 | 0 | 0 | 111.2 | R8 | I6-R8 PolarHBondContact O-N 3.4Å |
| 7 | Y | 43.5 | Very low | 47.7 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.9 | -30.5 | -178.1 | -68.1 | -80.1 | 0 | 0 | 0 | 113.9 | V11 | Y7-V11 WeakPolarHBondContact O-CG2 3.22Å; Y7-V11 PolarHBondContact O-N 3.45Å |
| 8 | R | 42.8 | Very low | 48.2 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.4 | -36.1 | -178.1 | -120.5 | -179.1 | 179.8 | -172.6 | -1.4 | 112.2 | I6 I12 | I6-R8 PolarHBondContact O-N 3.4Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.39Å; R8-I12 PolarHBondContact O-N 3.29Å |
| 9 | L | 39.6 | Very low | 48.9 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.4 | -48.5 | 177 | -102.5 | 147.6 | 0 | 0 | 0 | 110.8 | V11 I12 T13 | L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.3Å; L9-I12 PolarHBondContact O-N 2.85Å; L9-T13 PolarHBondContact O-N 3.17Å; L9-T13 PolarHBondContact O-OG1 3.41Å |
| 10 | D | 53.7 | Low | 49.8 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.1 | -37.9 | -179.3 | -77.7 | -15.8 | 0 | 0 | 0 | 113.6 | T13 K14 | D10-T13 PolarHBondContact O-N 2.88Å; D10-K14 WeakPolarHBondContact O-CB 3.38Å; D10-K14 WeakPolarHBondContact O-CG 3.38Å; D10-K14 PolarHBondContact O-N 3.03Å |
| 11 | V | 48.5 | Very low | 50.4 | Low | 82 Ų | 82 | 132.1 Ų | 132.1 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | Y7 L9 T13 K14 I15 | Y7-V11 WeakPolarHBondContact O-CG2 3.22Å; Y7-V11 PolarHBondContact O-N 3.45Å; L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.3Å; V11-T13 VanDerWaalsContact C-N 3.34Å; V11-T13 PolarHBondContact O-N 3.39Å; V11-K14 PolarHBondContact O-N 2.87Å; V11-I15 HydrophobicContact CG1-CD1 3.83Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.48Å; V11-I15 PolarHBondContact O-N 3.41Å |
| 12 | I | 51.8 | Low | 51.6 | Low | 81 Ų | 81 | 128.8 Ų | 128.8 | 42% | 0.415 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 177.1 | -66.9 | 168.6 | 0 | 0 | 0 | 110.5 | R8 L9 K14 I15 R16 | R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.39Å; R8-I12 PolarHBondContact O-N 3.29Å; L9-I12 PolarHBondContact O-N 2.85Å; I12-K14 VanDerWaalsContact C-N 3.33Å; I12-K14 PolarHBondContact O-N 3.32Å; I12-I15 PolarHBondContact O-N 3.18Å; I12-R16 HydrophobicContact CG2-CG 4.4Å; I12-R16 WeakPolarHBondContact O-CB 3.49Å; I12-R16 WeakPolarHBondContact O-CG 3.44Å; I12-R16 PolarHBondContact O-N 3.29Å |
| 13 | T | 53.2 | Low | 52.3 | Low | 82 Ų | 82 | 124.4 Ų | 124.4 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -36.8 | 177.4 | -36.4 | 0 | 0 | 0 | 0 | 112 | L9 D10 V11 | L9-T13 PolarHBondContact O-N 3.17Å; L9-T13 PolarHBondContact O-OG1 3.41Å; D10-T13 PolarHBondContact O-N 2.88Å; V11-T13 VanDerWaalsContact C-N 3.34Å; V11-T13 PolarHBondContact O-N 3.39Å |
| 14 | K | 52.4 | Low | 53.3 | Low | 155 Ų | 155 | 118.6 Ų | 118.6 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -34.9 | 174.8 | -75 | 177.4 | -178 | 179.1 | 0 | 112.9 | D10 V11 I12 | D10-K14 WeakPolarHBondContact O-CB 3.38Å; D10-K14 WeakPolarHBondContact O-CG 3.38Å; D10-K14 PolarHBondContact O-N 3.03Å; V11-K14 PolarHBondContact O-N 2.87Å; I12-K14 VanDerWaalsContact C-N 3.33Å; I12-K14 PolarHBondContact O-N 3.32Å |
| 15 | I | 57.4 | Low | 53.7 | Low | 108 Ų | 108 | 115.9 Ų | 115.9 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.4 | -33.4 | 176.6 | -68.1 | 165.7 | 0 | 0 | 0 | 111.4 | V11 I12 Q17 | V11-I15 HydrophobicContact CG1-CD1 3.83Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.48Å; V11-I15 PolarHBondContact O-N 3.41Å; I12-I15 PolarHBondContact O-N 3.18Å; I15-Q17 VanDerWaalsContact C-N 3.3Å; I15-Q17 PolarHBondContact O-N 3.26Å |
| 16 | R | 54.7 | Low | 54.5 | Low | 193 Ų | 193 | 114.5 Ų | 114.5 | 73% | 0.728 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 7 | -178.5 | -71 | -175.9 | 177.8 | -171.8 | 0.4 | 114.5 | I12 | I12-R16 HydrophobicContact CG2-CG 4.4Å; I12-R16 WeakPolarHBondContact O-CB 3.49Å; I12-R16 WeakPolarHBondContact O-CG 3.44Å; I12-R16 PolarHBondContact O-N 3.29Å |
| 17 | Q | 54 | Low | 55 | Low | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -63.8 | 134.4 | 176 | -69 | -163.7 | -11 | 0 | 0 | 110.1 | I15 M19 | I15-Q17 VanDerWaalsContact C-N 3.3Å; I15-Q17 PolarHBondContact O-N 3.26Å; Q17-M19 PolarHBondContact O-N 3.47Å |
| 18 | P | 56.6 | Low | 55.3 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 74% | 0.74 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 134.7 | 174.1 | 25.2 | -32.2 | 0 | 0 | 0 | 108.8 | K20 | P18-K20 PolarHBondContact O-N 3.38Š|
| 19 | M | 61.4 | Low | 55.7 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 36% | 0.36 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 130.3 | 176.4 | -172.5 | 173.4 | -72.3 | 0 | 0 | 109.2 | Q17 E23 A24 A27 Y38 | Q17-M19 PolarHBondContact O-N 3.47Å; M19-E23 HydrophobicContact CG-CB 3.42Å; M19-E23 VanDerWaalsContact CG-CB 3.42Å; M19-E23 HydrophobicContact SD-CB 4.26Å; M19-A24 HydrophobicContact CG-CB 4.27Å; M19-A24 HydrophobicContact SD-CB 4.09Å; M19-A27 HydrophobicContact SD-CB 4.12Å; M19-Y38 HydrophobicContact CE-CE2 3.97Å |
| 20 | K | 67.9 | Low | 56.2 | Low | 139 Ų | 139 | 108.6 Ų | 108.6 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 153.6 | 175.6 | -66.6 | 177.1 | -179.4 | 177 | 0 | 109.8 | P18 E22 E23 A24 | P18-K20 PolarHBondContact O-N 3.38Å; K20-E22 PolarHBondContact O-N 3.48Å; K20-E22 VanDerWaalsContact O-N 3.17Å; K20-E23 HydrophobicContact CB-CB 4.45Å; K20-E23 HydrophobicContact CB-CG 4.13Å; K20-E23 PolarHBondContact N-OE2 3.44Å; K20-E23 WeakPolarHBondContact O-CA 3.38Å; K20-E23 WeakPolarHBondContact O-CB 3.43Å; K20-E23 PolarHBondContact O-N 2.93Å; K20-A24 PolarHBondContact O-N 3.28Å |
| 21 | E | 61.8 | Low | 56 | Low | 180 Ų | 180 | 112.7 Ų | 112.7 | 84% | 0.841 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.2 | -35.7 | -179.9 | -71 | -171.5 | 158.3 | 0 | 0 | 113.1 | A24 A25 | E21-A24 PolarHBondContact O-N 3.13Å; E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 3.14Å |
| 22 | E | 64.6 | Low | 56.2 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.4 | -39 | 175.5 | -62.2 | 176.6 | 175.5 | 0 | 0 | 112.5 | K20 A25 S26 | K20-E22 PolarHBondContact O-N 3.48Å; K20-E22 VanDerWaalsContact O-N 3.17Å; E22-A25 PolarHBondContact O-N 3.27Å; E22-S26 PolarHBondContact O-N 2.69Å; E22-S26 PolarHBondContact O-OG 3.32Å; E22-S26 VanDerWaalsContact O-OG 3.11Å |
| 23 | E | 60.1 | Low | 56.3 | Low | 76 Ų | 76 | 114.4 Ų | 114.4 | 36% | 0.355 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.9 | -38.9 | 175.9 | -64.5 | 172.4 | 154.3 | 0 | 0 | 110.2 | M19 K20 S26 A27 | M19-E23 HydrophobicContact CG-CB 3.42Å; M19-E23 VanDerWaalsContact CG-CB 3.42Å; M19-E23 HydrophobicContact SD-CB 4.26Å; K20-E23 HydrophobicContact CB-CB 4.45Å; K20-E23 HydrophobicContact CB-CG 4.13Å; K20-E23 PolarHBondContact N-OE2 3.44Å; K20-E23 WeakPolarHBondContact O-CA 3.38Å; K20-E23 WeakPolarHBondContact O-CB 3.43Å; K20-E23 PolarHBondContact O-N 2.93Å; E23-S26 WeakPolarHBondContact CA-OG 3.49Å; E23-S26 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact O-OG 2.9Å; E23-A27 VanDerWaalsContact O-CB 3.26Å; E23-A27 WeakPolarHBondContact O-CB 3.13Å; E23-A27 PolarHBondContact O-N 2.95Å |
| 24 | A | 61.2 | Low | 56.1 | Low | 28 Ų | 28 | 119.6 Ų | 119.6 | 23% | 0.231 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -65.8 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | M19 K20 E21 A27 R28 | M19-A24 HydrophobicContact CG-CB 4.27Å; M19-A24 HydrophobicContact SD-CB 4.09Å; K20-A24 PolarHBondContact O-N 3.28Å; E21-A24 PolarHBondContact O-N 3.13Å; A24-A27 PolarHBondContact O-N 3.31Å; A24-R28 WeakPolarHBondContact O-CB 3.37Å; A24-R28 VanDerWaalsContact O-CG 3.22Å; A24-R28 WeakPolarHBondContact O-CG 3.36Å; A24-R28 PolarHBondContact O-N 3.37Å |
| 25 | A | 58 | Low | 55.9 | Low | 51 Ų | 51 | 116.3 Ų | 116.3 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E21 E22 R28 | E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 3.14Å; E22-A25 PolarHBondContact O-N 3.27Å; A25-R28 PolarHBondContact O-N 2.88Å |
| 26 | S | 56.9 | Low | 55.7 | Low | 55 Ų | 55 | 114.4 Ų | 114.4 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73 | -34.9 | 175.4 | 57 | 0 | 0 | 0 | 0 | 112.6 | E22 E23 R28 L29 F30 | E22-S26 PolarHBondContact O-N 2.69Å; E22-S26 PolarHBondContact O-OG 3.32Å; E22-S26 VanDerWaalsContact O-OG 3.11Å; E23-S26 WeakPolarHBondContact CA-OG 3.49Å; E23-S26 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact O-OG 2.9Å; S26-R28 VanDerWaalsContact C-N 3.33Å; S26-R28 PolarHBondContact O-N 2.98Å; S26-L29 WeakPolarHBondContact O-CB 3.34Å; S26-L29 PolarHBondContact O-N 3.11Å; S26-F30 WeakPolarHBondContact O-CD2 3.42Å |
| 27 | A | 54.1 | Low | 55.5 | Low | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -32.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M19 E23 A24 L29 F30 | M19-A27 HydrophobicContact SD-CB 4.12Å; E23-A27 VanDerWaalsContact O-CB 3.26Å; E23-A27 WeakPolarHBondContact O-CB 3.13Å; E23-A27 PolarHBondContact O-N 2.95Å; A24-A27 PolarHBondContact O-N 3.31Å; A27-L29 PolarHBondContact O-N 2.85Å; A27-F30 CarbonylContact O-C 3.38Å; A27-F30 WeakPolarHBondContact O-CA 3.44Å; A27-F30 WeakPolarHBondContact O-CB 3.26Å; A27-F30 PolarHBondContact O-N 3.37Å |
| 28 | R | 50.6 | Low | 55.2 | Low | 180 Ų | 180 | 107.1 Ų | 107.1 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -25.8 | 174 | -79.5 | 169.1 | -179.5 | 176.6 | 2.4 | 113.5 | A24 A25 S26 F30 K31 | A24-R28 WeakPolarHBondContact O-CB 3.37Å; A24-R28 VanDerWaalsContact O-CG 3.22Å; A24-R28 WeakPolarHBondContact O-CG 3.36Å; A24-R28 PolarHBondContact O-N 3.37Å; A25-R28 PolarHBondContact O-N 2.88Å; S26-R28 VanDerWaalsContact C-N 3.33Å; S26-R28 PolarHBondContact O-N 2.98Å; R28-F30 VanDerWaalsContact C-N 3.26Å; R28-K31 WeakPolarHBondContact O-CG 3.49Å; R28-K31 PolarHBondContact O-N 2.94Å |
| 29 | L | 50.6 | Low | 54.6 | Low | 152 Ų | 152 | 108 Ų | 108 | 80% | 0.796 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -26.9 | 171.9 | -84.2 | 144 | 0 | 0 | 0 | 111.8 | S26 A27 K31 | S26-L29 WeakPolarHBondContact O-CB 3.34Å; S26-L29 PolarHBondContact O-N 3.11Å; A27-L29 PolarHBondContact O-N 2.85Å; L29-K31 PolarHBondContact O-N 3.12Å |
| 30 | F | 50 | Low | 53.8 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 45.1 | 170.3 | -61.6 | -81.7 | 0 | 0 | 0 | 111.4 | S26 A27 R28 D32 L78 L82 | S26-F30 WeakPolarHBondContact O-CD2 3.42Å; A27-F30 CarbonylContact O-C 3.38Å; A27-F30 WeakPolarHBondContact O-CA 3.44Å; A27-F30 WeakPolarHBondContact O-CB 3.26Å; A27-F30 PolarHBondContact O-N 3.37Å; R28-F30 VanDerWaalsContact C-N 3.26Å; F30-D32 PolarHBondContact O-N 3.38Å; F30-L78 HydrophobicContact CE1-CD1 4.28Å; F30-L82 HydrophobicContact CE2-CD1 4.23Å; F30-L82 HydrophobicContact CE2-CD2 3.75Å; F30-L82 HydrophobicContact CZ-CD2 3.99Å |
| 31 | K | 51.1 | Low | 52.8 | Low | 177 Ų | 177 | 102.9 Ų | 102.9 | 77% | 0.77 | 53% | 0.534 | S | S | * | . | trans | -64 | 72 | 162.8 | -94 | -177.6 | 177.7 | -174.3 | 0 | 109 | R28 L29 P33 | R28-K31 WeakPolarHBondContact O-CG 3.49Å; R28-K31 PolarHBondContact O-N 2.94Å; L29-K31 PolarHBondContact O-N 3.12Å; K31-P33 WeakPolarHBondContact O-CD 3.43Å | ||
| 32 | D | 51.2 | Low | 52 | Low | 77 Ų | 77 | 99.7 Ų | 99.7 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | trans | -65.3 | 120.9 | 165.4 | -163.6 | -27.2 | 0 | 0 | 0 | 106.1 | F30 W34 L35 | F30-D32 PolarHBondContact O-N 3.38Å; D32-W34 PolarHBondContact O-N 3.19Å; D32-W34 PolarHBondContact OD1-N 3.08Å; D32-L35 HydrophobicContact CB-CB 4.24Å; D32-L35 HydrophobicContact CB-CD1 3.41Å; D32-L35 VanDerWaalsContact CB-CD1 3.41Å; D32-L35 HydrophobicContact CB-CG 4.39Å; D32-L35 PolarHBondContact O-N 3.09Å | ||
| 33 | P | 53.5 | Low | 50.8 | Low | 121 Ų | 121 | 100 Ų | 100 | 79% | 0.786 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -16.9 | 178.6 | -25.1 | 33.9 | 0 | 0 | 0 | 113.8 | K31 | K31-P33 WeakPolarHBondContact O-CD 3.43Š|
| 34 | W | 49.6 | Very low | 50 | Low | 192 Ų | 192 | 99.3 Ų | 99.3 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.5 | -178.3 | -54.6 | 103.9 | 0 | 0 | 0 | 114.1 | D32 | D32-W34 PolarHBondContact O-N 3.19Å; D32-W34 PolarHBondContact OD1-N 3.08Å |
| 35 | L | 49 | Very low | 49.1 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -83.6 | 125.5 | 175.3 | -100.7 | 114.5 | 0 | 0 | 0 | 109.8 | D32 W62 | D32-L35 HydrophobicContact CB-CB 4.24Å; D32-L35 HydrophobicContact CB-CD1 3.41Å; D32-L35 VanDerWaalsContact CB-CD1 3.41Å; D32-L35 HydrophobicContact CB-CG 4.39Å; D32-L35 PolarHBondContact O-N 3.09Å; L35-W62 HydrophobicContact CD2-CH2 3.43Å; L35-W62 VanDerWaalsContact CD2-CH2 3.43Å; L35-W62 HydrophobicContact CD2-CZ2 4.31Å; L35-W62 HydrophobicContact CD2-CZ3 4.16Å; L35-W62 HydrophobicContact CG-CH2 3.63Å; L35-W62 HydrophobicContact CG-CZ3 3.9Å |
| 36 | P | 52.4 | Low | 48.6 | Very low | 67 Ų | 67 | 104.6 Ų | 104.6 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 148.9 | 169.5 | 1.9 | 3.5 | 0 | 0 | 0 | 109.4 | Y38 A40 | P36-Y38 PolarHBondContact O-N 3.26Å; P36-A40 HydrophobicContact CB-CB 4.48Å |
| 37 | A | 51.4 | Low | 47.9 | Very low | 59 Ų | 59 | 106.2 Ų | 106.2 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -47.6 | 135.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | E39 A40 S41 | A37-E39 PolarHBondContact O-N 2.78Å; A37-E39 VanDerWaalsContact O-N 3.11Å; A37-A40 HydrophobicContact CB-CB 4.43Å; A37-A40 WeakPolarHBondContact O-CA 3.45Å; A37-A40 WeakPolarHBondContact O-CB 3.36Å; A37-A40 PolarHBondContact O-N 3.19Å; A37-S41 PolarHBondContact O-N 3.03Å; A37-S41 PolarHBondContact O-OG 3.25Å |
| 38 | Y | 46.1 | Very low | 47.4 | Very low | 116 Ų | 116 | 105.7 Ų | 105.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -52.5 | -37.7 | -176.1 | 175.3 | -106.2 | 0 | 0 | 0 | 111.2 | M19 P36 A40 S41 I42 | M19-Y38 HydrophobicContact CE-CE2 3.97Å; P36-Y38 PolarHBondContact O-N 3.26Å; Y38-A40 PolarHBondContact O-N 2.88Å; Y38-S41 PolarHBondContact O-N 3.06Å; Y38-S41 VanDerWaalsContact O-N 3.14Å; Y38-I42 HydrophobicContact CD1-CD1 3.8Å; Y38-I42 HydrophobicContact CE1-CD1 3.3Å; Y38-I42 HydrophobicContact CE1-CG1 4.41Å; Y38-I42 HydrophobicContact CE2-CD1 4.14Å; Y38-I42 HydrophobicContact CE2-CG1 4.48Å; Y38-I42 HydrophobicContact CG-CD1 4.41Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.5Å; Y38-I42 PolarHBondContact O-N 3.44Å |
| 39 | E | 44.2 | Very low | 46.9 | Very low | 133 Ų | 133 | 102.5 Ų | 102.5 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 174.9 | -59.5 | 95.7 | -176.3 | 0 | 0 | 112.6 | A37 S41 I42 | A37-E39 PolarHBondContact O-N 2.78Å; A37-E39 VanDerWaalsContact O-N 3.11Å; E39-S41 PolarHBondContact O-N 3.32Å; E39-I42 PolarHBondContact O-N 3.29Å |
| 40 | A | 45.2 | Very low | 46.3 | Very low | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.4 | -20.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P36 A37 Y38 | P36-A40 HydrophobicContact CB-CB 4.48Å; A37-A40 HydrophobicContact CB-CB 4.43Å; A37-A40 WeakPolarHBondContact O-CA 3.45Å; A37-A40 WeakPolarHBondContact O-CB 3.36Å; A37-A40 PolarHBondContact O-N 3.19Å; Y38-A40 PolarHBondContact O-N 2.88Å |
| 41 | S | 46.7 | Very low | 45.7 | Very low | 48 Ų | 48 | 99.6 Ų | 99.6 | 34% | 0.336 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -85.9 | -24.2 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 113 | A37 Y38 E39 | A37-S41 PolarHBondContact O-N 3.03Å; A37-S41 PolarHBondContact O-OG 3.25Å; Y38-S41 PolarHBondContact O-N 3.06Å; Y38-S41 VanDerWaalsContact O-N 3.14Å; E39-S41 PolarHBondContact O-N 3.32Å |
| 42 | I | 45.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 95.3 Ų | 95.3 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.1 | -35.7 | 177.3 | -64.5 | 164.4 | 0 | 0 | 0 | 110.9 | Y38 E39 | Y38-I42 HydrophobicContact CD1-CD1 3.8Å; Y38-I42 HydrophobicContact CE1-CD1 3.3Å; Y38-I42 HydrophobicContact CE1-CG1 4.41Å; Y38-I42 HydrophobicContact CE2-CD1 4.14Å; Y38-I42 HydrophobicContact CE2-CG1 4.48Å; Y38-I42 HydrophobicContact CG-CD1 4.41Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.5Å; Y38-I42 PolarHBondContact O-N 3.44Å; E39-I42 PolarHBondContact O-N 3.29Å |
| 43 | E | 39.6 | Very low | 44.5 | Very low | 172 Ų | 172 | 99.9 Ų | 99.9 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -85.2 | -12.5 | -178.3 | -68.6 | -173.7 | 164.6 | 0 | 0 | 113.9 | F45 | E43-F45 PolarHBondContact O-N 3.01Å; E43-F45 VanDerWaalsContact O-N 3.13Å |
| 44 | A | 43.7 | Very low | 44 | Very low | 62 Ų | 62 | 98.3 Ų | 98.3 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -65.7 | 116.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N46 | A44-N46 PolarHBondContact O-N 3.27Š|
| 45 | F | 42.6 | Very low | 43.3 | Very low | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.614 | 56% | 0.557 | S | S | * | * | trans | -52.2 | 126.4 | 169.6 | -170.7 | -96.3 | 0 | 0 | 0 | 110.1 | E43 P47 L50 | E43-F45 PolarHBondContact O-N 3.01Å; E43-F45 VanDerWaalsContact O-N 3.13Å; F45-P47 WeakPolarHBondContact O-CD 3.31Å; F45-L50 HydrophobicContact CE1-CD1 3.39Å; F45-L50 HydrophobicContact CE1-CG 3.71Å; F45-L50 HydrophobicContact CZ-CD1 3.29Å; F45-L50 HydrophobicContact CZ-CD2 3.89Å; F45-L50 HydrophobicContact CZ-CG 3.4Å; F45-L50 VanDerWaalsContact CZ-CG 3.4Å | ||
| 46 | N | 46.1 | Very low | 42.6 | Very low | 51 Ų | 51 | 96 Ų | 96 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | trans | -86.9 | 105.9 | 174.4 | -179.2 | 2.3 | 0 | 0 | 0 | 109.2 | A44 G48 L49 | A44-N46 PolarHBondContact O-N 3.27Å; N46-G48 PolarHBondContact O-N 3.45Å; N46-G48 PolarHBondContact OD1-N 3.47Å; N46-G48 VanDerWaalsContact OD1-N 3.08Å; N46-L49 HydrophobicContact CB-CD1 3.96Å; N46-L49 WeakPolarHBondContact O-CB 3.43Å; N46-L49 PolarHBondContact O-N 3.46Å; N46-L49 VanDerWaalsContact O-N 3.12Å | ||
| 47 | P | 43 | Very low | 41.7 | Very low | 89 Ų | 89 | 100.5 Ų | 100.5 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -64.8 | -20.8 | -178.8 | 26.3 | -34 | 0 | 0 | 0 | 113.4 | F45 L49 L50 | F45-P47 WeakPolarHBondContact O-CD 3.31Å; P47-L49 PolarHBondContact O-N 2.92Å; P47-L50 PolarHBondContact O-N 3.27Å |
| 48 | G | 43.6 | Very low | 40.9 | Very low | 31 Ų | 31 | 100.2 Ų | 100.2 | 32% | 0.32 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -72.2 | -13 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N46 S51 | N46-G48 PolarHBondContact O-N 3.45Å; N46-G48 PolarHBondContact OD1-N 3.47Å; N46-G48 VanDerWaalsContact OD1-N 3.08Å; G48-S51 PolarHBondContact O-OG 3.42Å |
| 49 | L | 40.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -82.3 | -12.2 | 175.7 | -98 | 155.2 | 0 | 0 | 0 | 113.2 | N46 P47 | N46-L49 HydrophobicContact CB-CD1 3.96Å; N46-L49 WeakPolarHBondContact O-CB 3.43Å; N46-L49 PolarHBondContact O-N 3.46Å; N46-L49 VanDerWaalsContact O-N 3.12Å; P47-L49 PolarHBondContact O-N 2.92Å |
| 50 | L | 38.7 | Very low | 40.1 | Very low | 131 Ų | 131 | 95.1 Ų | 95.1 | 69% | 0.686 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -24.7 | 177.4 | -70.3 | -176.8 | 0 | 0 | 0 | 114.1 | F45 P47 G52 | F45-L50 HydrophobicContact CE1-CD1 3.39Å; F45-L50 HydrophobicContact CE1-CG 3.71Å; F45-L50 HydrophobicContact CZ-CD1 3.29Å; F45-L50 HydrophobicContact CZ-CD2 3.89Å; F45-L50 HydrophobicContact CZ-CG 3.4Å; F45-L50 VanDerWaalsContact CZ-CG 3.4Å; P47-L50 PolarHBondContact O-N 3.27Å; L50-G52 PolarHBondContact O-N 3.22Å |
| 51 | S | 37.5 | Very low | 39.9 | Very low | 58 Ų | 58 | 95.9 Ų | 95.9 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -79.9 | 110 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 107.2 | G48 E53 | G48-S51 PolarHBondContact O-OG 3.42Å; S51-E53 PolarHBondContact O-N 3.48Å |
| 52 | G | 38.2 | Very low | 39.5 | Very low | 86 Ų | 86 | 99 Ų | 99 | 89% | 0.887 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -61.2 | 22.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L50 | L50-G52 PolarHBondContact O-N 3.22Š|
| 53 | E | 38.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 100.5 Ų | 100.5 | 81% | 0.808 | 57% | 0.574 | S | S | * | * | trans | -98.8 | 43.1 | 171.4 | -64.6 | -175.5 | 132.8 | 0 | 0 | 110.4 | S51 Q55 | S51-E53 PolarHBondContact O-N 3.48Å; E53-Q55 PolarHBondContact O-N 3.36Å | ||
| 54 | D | 41.6 | Very low | 39.2 | Very low | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | trans | -92.7 | 58.3 | 173.4 | -153.8 | 17.4 | 0 | 0 | 0 | 109.7 | G56 | D54-G56 PolarHBondContact O-N 3.39Š| ||
| 55 | Q | 36.7 | Very low | 39.1 | Very low | 195 Ų | 195 | 102.3 Ų | 102.3 | 91% | 0.911 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -84.9 | 70 | 165 | -70.9 | -161.8 | 26.2 | 0 | 0 | 109.5 | E53 | E53-Q55 PolarHBondContact O-N 3.36Š|
| 56 | G | 33.8 | Very low | 38.9 | Very low | 36 Ų | 36 | 98.8 Ų | 98.8 | 37% | 0.371 | 56% | 0.562 | S | S | . | * | S | Bend | trans | 79.5 | 136 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | D54 | D54-G56 PolarHBondContact O-N 3.39Š|
| 57 | L | 33.8 | Very low | 38.7 | Very low | 160 Ų | 160 | 102.2 Ų | 102.2 | 84% | 0.838 | 59% | 0.587 | S | S | * | * | trans | 74.2 | 73.6 | -179.2 | -46.9 | 169.8 | 0 | 0 | 0 | 112.8 | V59 | L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 WeakPolarHBondContact O-CG2 3.39Å; L57-V59 PolarHBondContact O-N 3.4Å | ||
| 58 | G | 33.1 | Very low | 38.7 | Very low | 54 Ų | 54 | 107.8 Ų | 107.8 | 56% | 0.557 | 60% | 0.596 | S | S | * | * | trans | -51.4 | 96.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S60 | G58-S60 VanDerWaalsContact C-N 3.3Å; G58-S60 PolarHBondContact O-N 2.88Å | ||
| 59 | V | 37.7 | Very low | 38.6 | Very low | 87 Ų | 87 | 108.9 Ų | 108.9 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | trans | -74.3 | 94.1 | -176.2 | -143.1 | 0 | 0 | 0 | 0 | 106.7 | L57 K63 | L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 WeakPolarHBondContact O-CG2 3.39Å; L57-V59 PolarHBondContact O-N 3.4Å; V59-K63 HydrophobicContact CG1-CD 3.6Å; V59-K63 HydrophobicContact CG1-CG 4.02Å | ||
| 60 | S | 37.3 | Very low | 38.7 | Very low | 54 Ų | 54 | 112.2 Ų | 112.2 | 38% | 0.378 | 61% | 0.613 | S | S | . | * | trans | -49.1 | 138.8 | 176.9 | -131.2 | 0 | 0 | 0 | 0 | 110.3 | G58 W62 K63 | G58-S60 VanDerWaalsContact C-N 3.3Å; G58-S60 PolarHBondContact O-N 2.88Å; S60-W62 VanDerWaalsContact CB-CD1 3.47Å; S60-W62 PolarHBondContact O-N 2.71Å; S60-W62 VanDerWaalsContact OG-CD1 3.29Å; S60-K63 PolarHBondContact O-N 2.77Å | ||
| 61 | P | 40.4 | Very low | 39.1 | Very low | 72 Ų | 72 | 110.6 Ų | 110.6 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -55.6 | -12 | -175.4 | -7.5 | 7.1 | 0 | 0 | 0 | 114.6 | K63 Y64 | P61-K63 PolarHBondContact O-N 2.75Å; P61-Y64 PolarHBondContact O-N 3.16Å; P61-Y64 VanDerWaalsContact O-N 3.09Å |
| 62 | W | 37.7 | Very low | 39.4 | Very low | 113 Ų | 113 | 111 Ų | 111 | 43% | 0.428 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -50.2 | -18 | 170.3 | -61.8 | 86.8 | 0 | 0 | 0 | 115.8 | L35 S60 Y64 | L35-W62 HydrophobicContact CD2-CH2 3.43Å; L35-W62 VanDerWaalsContact CD2-CH2 3.43Å; L35-W62 HydrophobicContact CD2-CZ2 4.31Å; L35-W62 HydrophobicContact CD2-CZ3 4.16Å; L35-W62 HydrophobicContact CG-CH2 3.63Å; L35-W62 HydrophobicContact CG-CZ3 3.9Å; S60-W62 VanDerWaalsContact CB-CD1 3.47Å; S60-W62 PolarHBondContact O-N 2.71Å; S60-W62 VanDerWaalsContact OG-CD1 3.29Å; W62-Y64 PolarHBondContact O-N 2.8Å |
| 63 | K | 39.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 109.4 Ų | 109.4 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -64.1 | -18.6 | 172.1 | -95.3 | -160.7 | -176.4 | -179.9 | 0 | 113.9 | V59 S60 P61 | V59-K63 HydrophobicContact CG1-CD 3.6Å; V59-K63 HydrophobicContact CG1-CG 4.02Å; S60-K63 PolarHBondContact O-N 2.77Å; P61-K63 PolarHBondContact O-N 2.75Å |
| 64 | Y | 39.6 | Very low | 39.8 | Very low | 214 Ų | 214 | 103.1 Ų | 103.1 | 84% | 0.839 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -112.2 | -5.2 | -174.4 | -65.9 | -78.8 | 0 | 0 | 0 | 114.9 | P61 W62 | P61-Y64 PolarHBondContact O-N 3.16Å; P61-Y64 VanDerWaalsContact O-N 3.09Å; W62-Y64 PolarHBondContact O-N 2.8Å |
| 65 | A | 41.7 | Very low | 40 | Very low | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -98.3 | 2.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 66 | N | 38.9 | Very low | 40.5 | Very low | 66 Ų | 66 | 96 Ų | 96 | 35% | 0.353 | 54% | 0.543 | S | S | . | . | trans | -127.8 | 101.8 | -176.4 | -166.9 | -7.8 | 0 | 0 | 0 | 113 | R68 G69 R70 | N66-R68 PolarHBondContact O-N 2.76Å; N66-R68 WeakPolarHBondContact OD1-CA 3.33Å; N66-R68 WeakPolarHBondContact OD1-CB 3.49Å; N66-R68 PolarHBondContact OD1-N 2.95Å; N66-G69 PolarHBondContact O-N 3.48Å; N66-R70 WeakPolarHBondContact ND2-CB 3.33Å; N66-R70 PolarHBondContact ND2-N 2.82Å; N66-R70 PolarHBondContact ND2-O 2.94Å | ||
| 67 | P | 41.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 100.6 Ų | 100.6 | 80% | 0.799 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -5.9 | 174.1 | 25.7 | -31.9 | 0 | 0 | 0 | 113.7 | ||
| 68 | R | 43.1 | Very low | 41.9 | Very low | 206 Ų | 206 | 96.6 Ų | 96.6 | 78% | 0.777 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7.6 | 176 | -78.3 | -176.4 | 156 | 178.4 | -4.8 | 114.7 | N66 R70 | N66-R68 PolarHBondContact O-N 2.76Å; N66-R68 WeakPolarHBondContact OD1-CA 3.33Å; N66-R68 WeakPolarHBondContact OD1-CB 3.49Å; N66-R68 PolarHBondContact OD1-N 2.95Å; R68-R70 PolarHBondContact O-N 3.43Å |
| 69 | G | 41.5 | Very low | 42.6 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | trans | 56.3 | 24.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N66 T71 | N66-G69 PolarHBondContact O-N 3.48Å; G69-T71 PolarHBondContact O-N 3.32Å | ||
| 70 | R | 43.1 | Very low | 43.1 | Very low | 184 Ų | 184 | 98.8 Ų | 98.8 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | trans | -74.9 | 85.4 | 165.3 | -58.9 | -171.1 | -177.3 | -178.5 | 0.2 | 105.7 | N66 R68 A74 | N66-R70 WeakPolarHBondContact ND2-CB 3.33Å; N66-R70 PolarHBondContact ND2-N 2.82Å; N66-R70 PolarHBondContact ND2-O 2.94Å; R68-R70 PolarHBondContact O-N 3.43Å; R70-A74 HydrophobicContact CB-CB 4.08Å | ||
| 71 | T | 46 | Very low | 43.7 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | trans | -50.6 | 160.1 | 179.1 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | G69 A73 A74 | G69-T71 PolarHBondContact O-N 3.32Å; T71-A73 CarbonylContact O-C 3.6Å; T71-A73 PolarHBondContact O-N 3.17Å; T71-A74 PolarHBondContact O-N 2.99Å | ||
| 72 | V | 44.9 | Very low | 44.2 | Very low | 67 Ų | 67 | 107.9 Ų | 107.9 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -36.2 | -30 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 113.5 | A74 A75 V76 | V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 2.99Å; V72-A75 PolarHBondContact O-N 3.24Å; V72-A75 VanDerWaalsContact O-N 3.16Å; V72-V76 HydrophobicContact CG1-CG2 4.14Å; V72-V76 WeakPolarHBondContact O-CG2 3.36Å; V72-V76 PolarHBondContact O-N 3.46Å |
| 73 | A | 41.2 | Very low | 44.7 | Very low | 51 Ų | 51 | 107.3 Ų | 107.3 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -49.9 | -40.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | T71 V76 Q77 | T71-A73 CarbonylContact O-C 3.6Å; T71-A73 PolarHBondContact O-N 3.17Å; A73-V76 PolarHBondContact O-N 2.88Å; A73-Q77 WeakPolarHBondContact O-CB 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.28Å; A73-Q77 PolarHBondContact O-N 3.3Å |
| 74 | A | 43.4 | Very low | 44.8 | Very low | 41 Ų | 41 | 102.8 Ų | 102.8 | 34% | 0.339 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.3 | -36.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R70 T71 V72 L78 | R70-A74 HydrophobicContact CB-CB 4.08Å; T71-A74 PolarHBondContact O-N 2.99Å; V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 2.99Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 2.93Å |
| 75 | A | 45.9 | Very low | 44.8 | Very low | 62 Ų | 62 | 101.8 Ų | 101.8 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V72 L78 R79 | V72-A75 PolarHBondContact O-N 3.24Å; V72-A75 VanDerWaalsContact O-N 3.16Å; A75-L78 PolarHBondContact O-N 3.13Å; A75-R79 WeakPolarHBondContact O-CB 3.45Å; A75-R79 PolarHBondContact O-N 2.92Å |
| 76 | V | 47.1 | Very low | 44.8 | Very low | 73 Ų | 73 | 102.6 Ų | 102.6 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 173.4 | 173.3 | 0 | 0 | 0 | 0 | 111 | V72 A73 L78 R79 A80 | V72-V76 HydrophobicContact CG1-CG2 4.14Å; V72-V76 WeakPolarHBondContact O-CG2 3.36Å; V72-V76 PolarHBondContact O-N 3.46Å; A73-V76 PolarHBondContact O-N 2.88Å; V76-L78 VanDerWaalsContact C-N 3.35Å; V76-L78 PolarHBondContact O-N 2.85Å; V76-R79 PolarHBondContact O-N 3.21Å; V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.48Å |
| 77 | Q | 48.4 | Very low | 45 | Very low | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.3 | -37.3 | 174.8 | -80.4 | 179.5 | -5.8 | 0 | 0 | 112.7 | A73 A80 R81 | A73-Q77 WeakPolarHBondContact O-CB 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.28Å; A73-Q77 PolarHBondContact O-N 3.3Å; Q77-A80 PolarHBondContact O-N 3.44Å; Q77-R81 WeakPolarHBondContact O-CB 3.38Å; Q77-R81 PolarHBondContact O-N 2.96Å |
| 78 | L | 49.5 | Very low | 45 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -43.1 | 174.9 | -166.5 | 76.4 | 0 | 0 | 0 | 110.6 | F30 A74 A75 V76 A80 R81 L82 | F30-L78 HydrophobicContact CE1-CD1 4.28Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 2.93Å; A75-L78 PolarHBondContact O-N 3.13Å; V76-L78 VanDerWaalsContact C-N 3.35Å; V76-L78 PolarHBondContact O-N 2.85Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.43Å; L78-R81 PolarHBondContact O-N 2.93Å; L78-L82 HydrophobicContact CD2-CD1 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.04Å; L78-L82 WeakPolarHBondContact O-CB 3.37Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 2.86Å |
| 79 | R | 46 | Very low | 44.7 | Very low | 150 Ų | 150 | 97.4 Ų | 97.4 | 57% | 0.566 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 176 | -165 | 174.1 | -173.1 | -171.7 | 2.3 | 112.1 | A75 V76 L82 H83 | A75-R79 WeakPolarHBondContact O-CB 3.45Å; A75-R79 PolarHBondContact O-N 2.92Å; V76-R79 PolarHBondContact O-N 3.21Å; R79-L82 PolarHBondContact O-N 3.29Å; R79-H83 WeakPolarHBondContact O-CB 3.33Å; R79-H83 PolarHBondContact O-CD2 3.1Å; R79-H83 PolarHBondContact O-N 3.39Å |
| 80 | A | 48.6 | Very low | 44.6 | Very low | 37 Ų | 37 | 97.2 Ų | 97.2 | 31% | 0.306 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -35.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | V76 Q77 L78 H88 | V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.48Å; Q77-A80 PolarHBondContact O-N 3.44Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.43Å; A80-H88 WeakPolarHBondContact CB-CD2 3.2Å; A80-H88 WeakPolarHBondContact CB-NE2 3.34Å |
| 81 | R | 50.7 | Low | 44.4 | Very low | 222 Ų | 222 | 93.6 Ų | 93.6 | 84% | 0.838 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.7 | -36.2 | 174.5 | -89.6 | -178 | 166.3 | -177.6 | -3.2 | 113 | Q77 L78 | Q77-R81 WeakPolarHBondContact O-CB 3.38Å; Q77-R81 PolarHBondContact O-N 2.96Å; L78-R81 PolarHBondContact O-N 2.93Å |
| 82 | L | 50.9 | Low | 43.9 | Very low | 95 Ų | 95 | 94.6 Ų | 94.6 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.9 | -38.2 | 179.4 | -73.1 | 168.4 | 0 | 0 | 0 | 112.2 | F30 L78 R79 G84 | F30-L82 HydrophobicContact CE2-CD1 4.23Å; F30-L82 HydrophobicContact CE2-CD2 3.75Å; F30-L82 HydrophobicContact CZ-CD2 3.99Å; L78-L82 HydrophobicContact CD2-CD1 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.04Å; L78-L82 WeakPolarHBondContact O-CB 3.37Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 2.86Å; R79-L82 PolarHBondContact O-N 3.29Å; L82-G84 PolarHBondContact O-N 3.34Å |
| 83 | H | 48.4 | Very low | 43.7 | Very low | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.468 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 58.3 | 175.6 | -68.2 | -89.6 | 0 | 0 | 0 | 110.9 | R79 H85 | R79-H83 WeakPolarHBondContact O-CB 3.33Å; R79-H83 PolarHBondContact O-CD2 3.1Å; R79-H83 PolarHBondContact O-N 3.39Å; H83-H85 PolarHBondContact O-N 3.24Å; H83-H85 VanDerWaalsContact O-N 3.13Å |
| 84 | G | 39.8 | Very low | 43.8 | Very low | 49 Ų | 49 | 99.2 Ų | 99.2 | 51% | 0.505 | 56% | 0.56 | S | S | . | * | trans | -40.8 | 126.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | L82 | L82-G84 PolarHBondContact O-N 3.34Š| ||
| 85 | H | 41.4 | Very low | 43.7 | Very low | 194 Ų | 194 | 103.4 Ų | 103.4 | 90% | 0.898 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 84.1 | 103.2 | -178.4 | -49.7 | -81.2 | 0 | 0 | 0 | 116.6 | H83 | H83-H85 PolarHBondContact O-N 3.24Å; H83-H85 VanDerWaalsContact O-N 3.13Å |
| 86 | G | 41.1 | Very low | 43.6 | Very low | 73 Ų | 73 | 107.4 Ų | 107.4 | 75% | 0.753 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 138.7 | -23.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 87 | V | 43.7 | Very low | 43.4 | Very low | 116 Ų | 116 | 112 Ų | 112 | 70% | 0.703 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -107.3 | -13.7 | -165.8 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 88 | H | 39.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 114 Ų | 114 | 41% | 0.407 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -12.7 | -177.9 | -105.7 | -74.9 | 0 | 0 | 0 | 115.7 | A80 G90 | A80-H88 WeakPolarHBondContact CB-CD2 3.2Å; A80-H88 WeakPolarHBondContact CB-NE2 3.34Å; H88-G90 VanDerWaalsContact C-N 3.31Å; H88-G90 PolarHBondContact O-N 3.42Å |
| 89 | A | 38.4 | Very low | 43.1 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -19.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S93 | A89-S93 PolarHBondContact O-OG 3.46Š|
| 90 | G | 38.3 | Very low | 42.8 | Very low | 51 Ų | 51 | 119.2 Ų | 119.2 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -22.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H88 | H88-G90 VanDerWaalsContact C-N 3.31Å; H88-G90 PolarHBondContact O-N 3.42Å |
| 91 | L | 39.4 | Very low | 42.5 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -13.3 | -175.2 | -84.9 | 160.2 | 0 | 0 | 0 | 113.5 | ||
| 92 | Q | 36.1 | Very low | 42.1 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -82.4 | -31.2 | 175.2 | -121.7 | 162.4 | -35.4 | 0 | 0 | 111.7 | E94 L95 E96 | Q92-E94 PolarHBondContact O-N 3.37Å; Q92-L95 PolarHBondContact O-N 3.49Å; Q92-E96 PolarHBondContact O-N 3.48Å |
| 93 | S | 39.4 | Very low | 41.6 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 54% | 0.538 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.9 | -27.4 | 178.6 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | A89 | A89-S93 PolarHBondContact O-OG 3.46Å |
| 94 | E | 43.4 | Very low | 41.2 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82.5 | -12.2 | 177 | -67.4 | -169 | 137.4 | 0 | 0 | 113.4 | Q92 | Q92-E94 PolarHBondContact O-N 3.37Å |
| 95 | L | 42.4 | Very low | 41.3 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -97.8 | -13.4 | 177.9 | -75.7 | 169 | 0 | 0 | 0 | 113.5 | Q92 | Q92-L95 PolarHBondContact O-N 3.49Å |
| 96 | E | 42.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -89.8 | -17.5 | 174.4 | -77.4 | 177.3 | 163.6 | 0 | 0 | 112.7 | Q92 | Q92-E96 PolarHBondContact O-N 3.48Å |
| 97 | E | 43.9 | Very low | 41.3 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -14.1 | 178.8 | -157.2 | 173.5 | 178.7 | 0 | 0 | 113.6 | ||
| 98 | E | 44.6 | Very low | 41.1 | Very low | 175 Ų | 175 | 124.3 Ų | 124.3 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 5 | 173.4 | -75.3 | -163.3 | 153.9 | 0 | 0 | 113.7 | ||
| 99 | A | 45.8 | Very low | 41.3 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | trans | -113.7 | 5.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 100 | E | 40.9 | Very low | 41.5 | Very low | 251 Ų | 251 | 131.5 Ų | 131.5 | 100% | 1.173 | 70% | 0.696 | S | S | * | * | trans | -109.5 | 0 | 169.9 | -80.8 | -172.5 | 155.8 | 0 | 0 | 112 |
Retrieved 100 of 100 residues in 285.7 ms
(Link to these results)