| 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 | 38.4 | Very low | 45.1 | Very low | 245 Ų | 245 | 129.7 Ų | 129.7 | 100% | 1.207 | 81% | 0.814 | S | S | * | * | 0 | 85.3 | 0 | -63.3 | 174.7 | 125.9 | 0 | 0 | 105.9 | |||||
| 2 | A | 42.1 | Very low | 45.6 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | 65.8 | 108.3 | 74.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3 | S | 48 | Very low | 46 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -174.2 | 129.4 | 104.2 | -144.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 4 | L | 50 | Low | 46.3 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 140.6 | 167.3 | -82.4 | 81 | 0 | 0 | 0 | 109.8 | ||||
| 5 | G | 43.2 | Very low | 46.7 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -144.1 | 92 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 6 | S | 49.7 | Very low | 46.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | 41.7 | 100.7 | 84.9 | -168.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 7 | G | 46.6 | Very low | 46.9 | Very low | 54 Ų | 54 | 129 Ų | 129 | 56% | 0.557 | 80% | 0.796 | S | S | * | * | trans | -177.8 | 54.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W9 | G7-W9 PolarHBondContact O-N 3.36Å; G7-W9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | N | 44.1 | Very low | 47.5 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -62.5 | 99.4 | 171.9 | 175.9 | 30.6 | 0 | 0 | 0 | 110 | S10 | N8-S10 VanDerWaalsContact C-N 3.26Å; N8-S10 PolarHBondContact ND2-OG 2.82Å; N8-S10 PolarHBondContact O-N 3.3Å; N8-S10 PolarHBondContact OD1-N 3.46Å; N8-S10 PolarHBondContact OD1-OG 3.36Å | ||
| 9 | W | 43.5 | Very low | 47.7 | Very low | 245 Ų | 245 | 125.6 Ų | 125.6 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -93.1 | 68.2 | 164.6 | -60.3 | 89.4 | 0 | 0 | 0 | 108.2 | G7 G11 | G7-W9 PolarHBondContact O-N 3.36Å; G7-W9 VanDerWaalsContact O-N 3.11Å; W9-G11 PolarHBondContact O-N 3.1Å | ||
| 10 | S | 44.5 | Very low | 47.9 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 51% | 0.51 | 78% | 0.784 | S | S | . | * | trans | -61.2 | 104.5 | 158.8 | -58.7 | 0 | 0 | 0 | 0 | 106.6 | N8 V12 | N8-S10 VanDerWaalsContact C-N 3.26Å; N8-S10 PolarHBondContact ND2-OG 2.82Å; N8-S10 PolarHBondContact O-N 3.3Å; N8-S10 PolarHBondContact OD1-N 3.46Å; N8-S10 PolarHBondContact OD1-OG 3.36Å; S10-V12 VanDerWaalsContact C-N 3.33Å; S10-V12 PolarHBondContact O-N 3.21Å | ||
| 11 | G | 45.8 | Very low | 48.1 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -61.8 | 99.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | W9 | W9-G11 PolarHBondContact O-N 3.1Š| ||
| 12 | V | 51.9 | Low | 48.5 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 127.9 | 171.6 | -158.8 | 0 | 0 | 0 | 0 | 106.4 | S10 T14 | S10-V12 VanDerWaalsContact C-N 3.33Å; S10-V12 PolarHBondContact O-N 3.21Å; V12-T14 PolarHBondContact O-N 3.46Å; V12-T14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | P | 50 | Low | 48.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -61.7 | 123.3 | 167.2 | 25.7 | -30.5 | 0 | 0 | 0 | 107.4 | Q15 | P13-Q15 VanDerWaalsContact C-N 3.31Å; P13-Q15 PolarHBondContact O-N 3.36Å | ||
| 14 | T | 50.6 | Low | 48.7 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -53.8 | 98.7 | 167.4 | -54.5 | 0 | 0 | 0 | 0 | 107.2 | V12 S16 | V12-T14 PolarHBondContact O-N 3.46Å; V12-T14 VanDerWaalsContact O-N 3.15Å; T14-S16 VanDerWaalsContact C-N 3.26Å; T14-S16 PolarHBondContact O-N 3.03Å | ||
| 15 | Q | 52.7 | Low | 48.5 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -63.3 | 99.3 | 165 | -83.3 | -175.9 | 85.7 | 0 | 0 | 105.7 | P13 T17 | P13-Q15 VanDerWaalsContact C-N 3.31Å; P13-Q15 PolarHBondContact O-N 3.36Å; Q15-T17 PolarHBondContact O-N 2.96Å | ||
| 16 | S | 47.6 | Very low | 48.9 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -61.9 | 94.9 | 160.6 | -173.4 | 0 | 0 | 0 | 0 | 105.9 | T14 A18 | T14-S16 VanDerWaalsContact C-N 3.26Å; T14-S16 PolarHBondContact O-N 3.03Å; S16-A18 PolarHBondContact O-N 3.02Å | ||
| 17 | T | 48.1 | Very low | 49 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | trans | -67.2 | 84.5 | 166.8 | -64.8 | 0 | 0 | 0 | 0 | 106.7 | Q15 | Q15-T17 PolarHBondContact O-N 2.96Š| ||
| 18 | A | 57.6 | Low | 49.2 | Very low | 71 Ų | 71 | 129 Ų | 129 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 128.1 | 157 | 0 | 0 | 0 | 0 | 0 | 106.7 | S16 M20 | S16-A18 PolarHBondContact O-N 3.02Å; A18-M20 PolarHBondContact O-N 3.34Å | ||
| 19 | P | 52.7 | Low | 49.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -62.7 | 109.8 | 169.2 | 24.7 | -29.1 | 0 | 0 | 0 | 107.5 | ||||
| 20 | M | 51.3 | Low | 50 | Low | 159 Ų | 159 | 122.1 Ų | 122.1 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.8 | 168.7 | -76.1 | -89.3 | -159.3 | 0 | 0 | 108.5 | A18 F22 | A18-M20 PolarHBondContact O-N 3.34Å; M20-F22 PolarHBondContact O-N 2.82Å |
| 21 | P | 51.5 | Low | 50.7 | Low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.1 | 164.3 | 26.9 | -29.6 | 0 | 0 | 0 | 107.1 | ||
| 22 | F | 47.2 | Very low | 51.3 | Low | 198 Ų | 198 | 125.9 Ų | 125.9 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 132.8 | -169.6 | -69.7 | -94.4 | 0 | 0 | 0 | 113.1 | M20 W24 | M20-F22 PolarHBondContact O-N 2.82Å; F22-W24 PolarHBondContact O-N 3.07Å |
| 23 | P | 46.8 | Very low | 51.8 | Low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 120.8 | 172.4 | 32.5 | -29.3 | 0 | 0 | 0 | 107.5 | T25 | P23-T25 VanDerWaalsContact C-N 3.32Å; P23-T25 PolarHBondContact O-N 3.37Å; P23-T25 PolarHBondContact O-OG1 2.92Å |
| 24 | W | 47.8 | Very low | 52.4 | Low | 226 Ų | 226 | 128.5 Ų | 128.5 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | -50.1 | 95.8 | 167.3 | 51.1 | -76.4 | 0 | 0 | 0 | 109.2 | F22 V26 | F22-W24 PolarHBondContact O-N 3.07Å; W24-V26 HydrophobicContact CE3-CG2 3.56Å; W24-V26 HydrophobicContact CZ3-CG2 3.6Å; W24-V26 PolarHBondContact O-N 3.4Å | ||
| 25 | T | 46.5 | Very low | 53.6 | Low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | trans | -87.6 | 101.5 | 179.1 | -44.6 | 0 | 0 | 0 | 0 | 106 | P23 P27 | P23-T25 VanDerWaalsContact C-N 3.32Å; P23-T25 PolarHBondContact O-N 3.37Å; P23-T25 PolarHBondContact O-OG1 2.92Å; T25-P27 WeakPolarHBondContact O-CD 3.44Å | ||
| 26 | V | 51.3 | Low | 55.2 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 120.4 | -179.9 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | W24 | W24-V26 HydrophobicContact CE3-CG2 3.56Å; W24-V26 HydrophobicContact CZ3-CG2 3.6Å; W24-V26 PolarHBondContact O-N 3.4Å |
| 27 | P | 51.4 | Low | 57.1 | Low | 89 Ų | 89 | 123.1 Ų | 123.1 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 131.5 | 171.6 | 11.9 | 1.4 | 0 | 0 | 0 | 110.1 | T25 | T25-P27 WeakPolarHBondContact O-CD 3.44Š|
| 28 | S | 51.2 | Low | 59.2 | Low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.4 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | Q30 R35 | S28-Q30 PolarHBondContact O-N 3.47Å; S28-R35 PolarHBondContact O-NH1 2.7Å; S28-R35 PolarHBondContact O-NH2 3.13Å |
| 29 | S | 50.4 | Low | 60.7 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.8 | -175.8 | -42.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 30 | Q | 52.5 | Low | 62.7 | Low | 121 Ų | 121 | 119.7 Ų | 119.7 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | trans | -117.9 | 128.2 | 165.1 | -167.8 | 171.8 | -66.3 | 0 | 0 | 107 | S28 Q32 | S28-Q30 PolarHBondContact O-N 3.47Å; Q30-Q32 HydrophobicContact CG-CG 4.5Å; Q30-Q32 PolarHBondContact O-N 3.17Å | ||
| 31 | P | 59 | Low | 64.7 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 62% | 0.622 | S | S | * | * | trans | -72.5 | 101.7 | -178.1 | 28.2 | -30 | 0 | 0 | 0 | 108 | ||||
| 32 | Q | 58.8 | Low | 66.8 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | trans | -132.8 | 119.9 | 162.8 | -40.7 | -89.4 | -74.6 | 0 | 0 | 105.9 | Q30 N34 R35 V36 | Q30-Q32 HydrophobicContact CG-CG 4.5Å; Q30-Q32 PolarHBondContact O-N 3.17Å; Q32-N34 PolarHBondContact O-N 3.32Å; Q32-N34 VanDerWaalsContact O-N 3.07Å; Q32-R35 HydrophobicContact CB-CB 3.98Å; Q32-R35 WeakPolarHBondContact O-CA 3.45Å; Q32-R35 VanDerWaalsContact O-CB 3.29Å; Q32-R35 WeakPolarHBondContact O-CB 3.29Å; Q32-R35 PolarHBondContact O-N 3.17Å; Q32-V36 PolarHBondContact O-N 3.06Å | ||
| 33 | H | 61.8 | Low | 69.1 | Low | 184 Ų | 184 | 112.9 Ų | 112.9 | 85% | 0.852 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.9 | -25.9 | 177 | 177.9 | -95.2 | 0 | 0 | 0 | 112.6 | ||
| 34 | N | 63.2 | Low | 71.4 | Confident | 96 Ų | 96 | 113.7 Ų | 113.7 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -43.9 | 169.1 | -112.3 | -35.2 | 0 | 0 | 0 | 112.2 | Q32 V36 K37 E38 | Q32-N34 PolarHBondContact O-N 3.32Å; Q32-N34 VanDerWaalsContact O-N 3.07Å; N34-V36 PolarHBondContact O-N 3.33Å; N34-V36 VanDerWaalsContact O-N 3.13Å; N34-K37 WeakPolarHBondContact O-CA 3.42Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 2.88Å; N34-K37 PolarHBondContact OD1-NZ 3.37Å; N34-E38 VanDerWaalsContact C-CD 3.45Å; N34-E38 WeakPolarHBondContact CB-OE2 3.34Å; N34-E38 PolarHBondContact O-N 2.92Å; N34-E38 PolarHBondContact OD1-OE1 2.88Å |
| 35 | R | 75.8 | Confident | 73.8 | Confident | 81 Ų | 81 | 108.9 Ų | 108.9 | 31% | 0.306 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -54.2 | -38.5 | -179.9 | -138.4 | 177.7 | 175.9 | -165 | -9.6 | 112 | S28 Q32 K37 E38 D39 | S28-R35 PolarHBondContact O-NH1 2.7Å; S28-R35 PolarHBondContact O-NH2 3.13Å; Q32-R35 HydrophobicContact CB-CB 3.98Å; Q32-R35 WeakPolarHBondContact O-CA 3.45Å; Q32-R35 VanDerWaalsContact O-CB 3.29Å; Q32-R35 WeakPolarHBondContact O-CB 3.29Å; Q32-R35 PolarHBondContact O-N 3.17Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 3.41Å; R35-E38 WeakPolarHBondContact CA-OE2 3.21Å; R35-E38 PolarHBondContact N-OE2 3.15Å; R35-E38 CarbonylContact O-C 3.57Å; R35-E38 PolarHBondContact O-N 2.99Å; R35-D39 WeakPolarHBondContact O-CB 3.46Å; R35-D39 PolarHBondContact O-N 2.84Å |
| 36 | V | 86.9 | Confident | 76.2 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60 | -39 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 112 | Q32 N34 L40 | Q32-V36 PolarHBondContact O-N 3.06Å; N34-V36 PolarHBondContact O-N 3.33Å; N34-V36 VanDerWaalsContact O-N 3.13Å; V36-L40 VanDerWaalsContact O-CB 3.25Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 PolarHBondContact O-N 2.83Å |
| 37 | K | 88.1 | Confident | 78.4 | Confident | 122 Ų | 122 | 108.5 Ų | 108.5 | 53% | 0.53 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.5 | -42.2 | 176.5 | -170.8 | -159.9 | 76.3 | -136.7 | 0 | 111.1 | N34 R35 L41 | N34-K37 WeakPolarHBondContact O-CA 3.42Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 2.88Å; N34-K37 PolarHBondContact OD1-NZ 3.37Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 3.41Å; K37-L41 WeakPolarHBondContact O-CB 3.25Å; K37-L41 PolarHBondContact O-N 3.23Å |
| 38 | E | 91.3 | Very high | 80.6 | Confident | 81 Ų | 81 | 108 Ų | 108 | 38% | 0.379 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -43.2 | 175.7 | -73.2 | 95.3 | -129.8 | 0 | 0 | 112.2 | N34 R35 L41 E42 | N34-E38 VanDerWaalsContact C-CD 3.45Å; N34-E38 WeakPolarHBondContact CB-OE2 3.34Å; N34-E38 PolarHBondContact O-N 2.92Å; N34-E38 PolarHBondContact OD1-OE1 2.88Å; R35-E38 WeakPolarHBondContact CA-OE2 3.21Å; R35-E38 PolarHBondContact N-OE2 3.15Å; R35-E38 CarbonylContact O-C 3.57Å; R35-E38 PolarHBondContact O-N 2.99Å; E38-L41 WeakPolarHBondContact O-CB 3.41Å; E38-L41 PolarHBondContact O-N 2.8Å; E38-E42 WeakPolarHBondContact O-CB 3.42Å; E38-E42 PolarHBondContact O-N 3.32Å |
| 39 | D | 89.9 | Confident | 82.8 | Confident | 64 Ų | 64 | 105.2 Ų | 105.2 | 34% | 0.342 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.1 | -64.6 | -13.9 | 0 | 0 | 0 | 110.5 | R35 E42 L43 | R35-D39 WeakPolarHBondContact O-CB 3.46Å; R35-D39 PolarHBondContact O-N 2.84Å; D39-E42 PolarHBondContact O-N 3.39Å; D39-L43 WeakPolarHBondContact O-CB 3.48Å; D39-L43 WeakPolarHBondContact O-CG 3.34Å; D39-L43 PolarHBondContact O-N 2.85Å |
| 40 | L | 94.3 | Very high | 85 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 173.8 | 179.3 | 62.5 | 0 | 0 | 0 | 111.4 | V36 E42 L43 M44 | V36-L40 VanDerWaalsContact O-CB 3.25Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 PolarHBondContact O-N 2.83Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-L43 PolarHBondContact O-N 2.86Å; L40-M44 HydrophobicContact CD1-CG 4.39Å; L40-M44 HydrophobicContact CG-SD 4.39Å; L40-M44 WeakPolarHBondContact O-CB 3.28Å; L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 3.19Å |
| 41 | L | 93.3 | Very high | 87.2 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.6 | -178.9 | 66.6 | 0 | 0 | 0 | 110.9 | K37 E38 M44 M45 | K37-L41 WeakPolarHBondContact O-CB 3.25Å; K37-L41 PolarHBondContact O-N 3.23Å; E38-L41 WeakPolarHBondContact O-CB 3.41Å; E38-L41 PolarHBondContact O-N 2.8Å; L41-M44 PolarHBondContact O-N 2.85Å; L41-M45 HydrophobicContact CG-SD 4.44Å; L41-M45 WeakPolarHBondContact O-CB 3.21Å; L41-M45 WeakPolarHBondContact O-CG 3.37Å; L41-M45 PolarHBondContact O-N 3.33Å |
| 42 | E | 94.8 | Very high | 89 | Confident | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 175 | -173.9 | 175.5 | 176.9 | 0 | 0 | 111.3 | E38 D39 L40 M45 L46 | E38-E42 WeakPolarHBondContact O-CB 3.42Å; E38-E42 PolarHBondContact O-N 3.32Å; D39-E42 PolarHBondContact O-N 3.39Å; L40-E42 VanDerWaalsContact C-N 3.32Å; E42-M45 PolarHBondContact O-N 2.82Å; E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 PolarHBondContact O-N 3.27Å |
| 43 | L | 96.3 | Very high | 90.9 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 175.4 | -73.9 | 170 | 0 | 0 | 0 | 112.4 | D39 L40 L46 Q47 | D39-L43 WeakPolarHBondContact O-CB 3.48Å; D39-L43 WeakPolarHBondContact O-CG 3.34Å; D39-L43 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 2.86Å; L43-L46 PolarHBondContact O-N 3.43Å; L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 PolarHBondContact O-N 2.98Å |
| 44 | M | 96.1 | Very high | 92.5 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 175 | -75.1 | -177.8 | 73.7 | 0 | 0 | 111.3 | L40 L41 N48 | L40-M44 HydrophobicContact CD1-CG 4.39Å; L40-M44 HydrophobicContact CG-SD 4.39Å; L40-M44 WeakPolarHBondContact O-CB 3.28Å; L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 3.19Å; L41-M44 PolarHBondContact O-N 2.85Å; M44-N48 WeakPolarHBondContact O-CB 3.45Å; M44-N48 PolarHBondContact O-N 2.92Å |
| 45 | M | 96.9 | Very high | 94.1 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 175.1 | -76 | -177.9 | 59.1 | 0 | 0 | 111.6 | L41 E42 N48 A49 | L41-M45 HydrophobicContact CG-SD 4.44Å; L41-M45 WeakPolarHBondContact O-CB 3.21Å; L41-M45 WeakPolarHBondContact O-CG 3.37Å; L41-M45 PolarHBondContact O-N 3.33Å; E42-M45 PolarHBondContact O-N 2.82Å; M45-N48 PolarHBondContact O-N 3.48Å; M45-A49 WeakPolarHBondContact O-CB 3.37Å; M45-A49 PolarHBondContact O-N 3.32Å |
| 46 | L | 97.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 177.7 | -175.4 | 62.6 | 0 | 0 | 0 | 111.3 | E42 L43 N48 A49 Q50 | E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 PolarHBondContact O-N 3.27Å; L43-L46 PolarHBondContact O-N 3.43Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 2.82Å; L46-A49 PolarHBondContact O-N 3.36Å; L46-Q50 HydrophobicContact CD1-CG 4.48Å; L46-Q50 HydrophobicContact CG-CG 4.49Å; L46-Q50 WeakPolarHBondContact O-CB 3.22Å; L46-Q50 VanDerWaalsContact O-CG 3.22Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.34Å |
| 47 | Q | 97.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -45 | 173.6 | -178.5 | -157.4 | 77 | 0 | 0 | 110.8 | L43 A49 Q50 M51 | L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 PolarHBondContact O-N 2.98Å; Q47-A49 PolarHBondContact O-N 3.32Å; Q47-Q50 PolarHBondContact O-N 2.9Å; Q47-M51 WeakPolarHBondContact O-CB 3.34Å; Q47-M51 PolarHBondContact O-N 3.5Å |
| 48 | N | 96.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 178.5 | -174 | -65.9 | 0 | 0 | 0 | 111 | M44 M45 L46 M51 H52 | M44-N48 WeakPolarHBondContact O-CB 3.45Å; M44-N48 PolarHBondContact O-N 2.92Å; M45-N48 PolarHBondContact O-N 3.48Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 2.82Å; N48-M51 PolarHBondContact O-N 2.87Å; N48-H52 PolarHBondContact O-N 3.45Å; N48-H52 PolarHBondContact O-ND1 2.98Å; N48-H52 PolarHBondContact OD1-CE1 3.43Å; N48-H52 PolarHBondContact OD1-ND1 2.84Å |
| 49 | A | 97 | Very high | 96 | Very high | 44 Ų | 44 | 98.8 Ų | 98.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | M45 L46 Q47 M51 H52 Q53 | M45-A49 WeakPolarHBondContact O-CB 3.37Å; M45-A49 PolarHBondContact O-N 3.32Å; L46-A49 PolarHBondContact O-N 3.36Å; Q47-A49 PolarHBondContact O-N 3.32Å; A49-M51 PolarHBondContact O-N 2.73Å; A49-H52 PolarHBondContact O-N 3.42Å; A49-Q53 WeakPolarHBondContact O-CB 3.2Å; A49-Q53 VanDerWaalsContact O-CG 3.27Å; A49-Q53 WeakPolarHBondContact O-CG 3.38Å; A49-Q53 PolarHBondContact O-N 2.83Å |
| 50 | Q | 97.9 | Very high | 96.1 | Very high | 108 Ų | 108 | 99.8 Ų | 99.8 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.5 | -75.8 | 173.3 | -17.7 | 0 | 0 | 112.1 | L46 Q47 Q53 L54 | L46-Q50 HydrophobicContact CD1-CG 4.48Å; L46-Q50 HydrophobicContact CG-CG 4.49Å; L46-Q50 WeakPolarHBondContact O-CB 3.22Å; L46-Q50 VanDerWaalsContact O-CG 3.22Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.34Å; Q47-Q50 PolarHBondContact O-N 2.9Å; Q50-Q53 PolarHBondContact O-N 3.19Å; Q50-L54 PolarHBondContact O-N 3.2Å |
| 51 | M | 98 | Very high | 95.9 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.5 | 176.6 | 179.9 | 46.2 | 0 | 0 | 111.4 | Q47 N48 A49 Q53 L54 L55 | Q47-M51 WeakPolarHBondContact O-CB 3.34Å; Q47-M51 PolarHBondContact O-N 3.5Å; N48-M51 PolarHBondContact O-N 2.87Å; A49-M51 PolarHBondContact O-N 2.73Å; M51-Q53 VanDerWaalsContact C-N 3.29Å; M51-Q53 PolarHBondContact O-N 3.49Å; M51-L54 PolarHBondContact O-N 2.91Å; M51-L55 HydrophobicContact CG-CD1 4.07Å; M51-L55 HydrophobicContact CG-CG 4.48Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 2.75Å |
| 52 | H | 97.4 | Very high | 95.7 | Very high | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 176 | -74 | 100.3 | 0 | 0 | 0 | 111.8 | N48 A49 L56 | N48-H52 PolarHBondContact O-N 3.45Å; N48-H52 PolarHBondContact O-ND1 2.98Å; N48-H52 PolarHBondContact OD1-CE1 3.43Å; N48-H52 PolarHBondContact OD1-ND1 2.84Å; A49-H52 PolarHBondContact O-N 3.42Å; H52-L56 VanDerWaalsContact O-CB 3.31Å; H52-L56 WeakPolarHBondContact O-CB 3.46Å; H52-L56 VanDerWaalsContact O-CG 3.24Å; H52-L56 WeakPolarHBondContact O-CG 3.42Å; H52-L56 PolarHBondContact O-N 2.88Å |
| 53 | Q | 97.6 | Very high | 95.3 | Very high | 138 Ų | 138 | 95.9 Ų | 95.9 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 174.4 | -75.5 | 174.6 | -18.5 | 0 | 0 | 112.2 | A49 Q50 M51 G57 | A49-Q53 WeakPolarHBondContact O-CB 3.2Å; A49-Q53 VanDerWaalsContact O-CG 3.27Å; A49-Q53 WeakPolarHBondContact O-CG 3.38Å; A49-Q53 PolarHBondContact O-N 2.83Å; Q50-Q53 PolarHBondContact O-N 3.19Å; M51-Q53 VanDerWaalsContact C-N 3.29Å; M51-Q53 PolarHBondContact O-N 3.49Å; Q53-G57 WeakPolarHBondContact O-CA 3.45Å; Q53-G57 PolarHBondContact O-N 2.94Å |
| 54 | L | 97 | Very high | 94.9 | Very high | 112 Ų | 112 | 97.5 Ų | 97.5 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -51.4 | 176.9 | -178.8 | 66.4 | 0 | 0 | 0 | 111.2 | Q50 M51 L56 G57 Q58 | Q50-L54 PolarHBondContact O-N 3.2Å; M51-L54 PolarHBondContact O-N 2.91Å; L54-L56 PolarHBondContact O-N 3.41Å; L54-G57 CarbonylContact O-C 3.59Å; L54-G57 PolarHBondContact O-N 3.35Å; L54-Q58 WeakPolarHBondContact O-CG 3.45Å; L54-Q58 PolarHBondContact O-N 2.87Å |
| 55 | L | 96.2 | Very high | 94.1 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | -178.6 | -69.9 | 172.3 | 0 | 0 | 0 | 111.8 | M51 G57 Q58 L59 | M51-L55 HydrophobicContact CG-CD1 4.07Å; M51-L55 HydrophobicContact CG-CG 4.48Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 2.75Å; L55-G57 VanDerWaalsContact C-N 3.31Å; L55-G57 PolarHBondContact O-N 3.05Å; L55-Q58 PolarHBondContact O-N 3.1Å; L55-L59 WeakPolarHBondContact O-CG 3.1Å; L55-L59 PolarHBondContact O-N 2.98Å |
| 56 | L | 96.3 | Very high | 92.7 | Very high | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | 176.9 | -67.3 | 173.2 | 0 | 0 | 0 | 111.4 | H52 L54 Q58 L59 V60 | H52-L56 VanDerWaalsContact O-CB 3.31Å; H52-L56 WeakPolarHBondContact O-CB 3.46Å; H52-L56 VanDerWaalsContact O-CG 3.24Å; H52-L56 WeakPolarHBondContact O-CG 3.42Å; H52-L56 PolarHBondContact O-N 2.88Å; L54-L56 PolarHBondContact O-N 3.41Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-L59 HydrophobicContact CD2-CD1 4.36Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-V60 VanDerWaalsContact O-CG2 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.27Å; L56-V60 PolarHBondContact O-N 3.3Å |
| 57 | G | 95.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 94.7 Ų | 94.7 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q53 L54 L55 V60 A61 | Q53-G57 WeakPolarHBondContact O-CA 3.45Å; Q53-G57 PolarHBondContact O-N 2.94Å; L54-G57 CarbonylContact O-C 3.59Å; L54-G57 PolarHBondContact O-N 3.35Å; L55-G57 VanDerWaalsContact C-N 3.31Å; L55-G57 PolarHBondContact O-N 3.05Å; G57-V60 PolarHBondContact O-N 2.92Å; G57-A61 VanDerWaalsContact O-CB 3.29Å; G57-A61 WeakPolarHBondContact O-CB 3.44Å; G57-A61 PolarHBondContact O-N 2.77Å |
| 58 | Q | 94.6 | Very high | 89.4 | Confident | 102 Ų | 102 | 94.6 Ų | 94.6 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 174.5 | -71.7 | -178.3 | -77.9 | 0 | 0 | 111.5 | L54 L55 L56 V60 A61 D62 | L54-Q58 WeakPolarHBondContact O-CG 3.45Å; L54-Q58 PolarHBondContact O-N 2.87Å; L55-Q58 PolarHBondContact O-N 3.1Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 3.42Å; Q58-A61 PolarHBondContact O-N 3Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; Q58-D62 WeakPolarHBondContact O-CB 3.35Å; Q58-D62 VanDerWaalsContact O-CG 3.32Å; Q58-D62 PolarHBondContact O-N 2.72Å |
| 59 | L | 94.2 | Very high | 87.6 | Confident | 114 Ų | 114 | 99.6 Ų | 99.6 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.2 | -41.4 | 176.6 | -69.7 | 172.2 | 0 | 0 | 0 | 112.3 | L55 L56 A63 | L55-L59 WeakPolarHBondContact O-CG 3.1Å; L55-L59 PolarHBondContact O-N 2.98Å; L56-L59 HydrophobicContact CD2-CD1 4.36Å; L56-L59 PolarHBondContact O-N 3.1Å; L59-A63 WeakPolarHBondContact O-CB 3.4Å; L59-A63 PolarHBondContact O-N 3.22Å |
| 60 | V | 93.2 | Very high | 85.4 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -43 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L56 G57 Q58 A63 L64 | L56-V60 VanDerWaalsContact O-CG2 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.27Å; L56-V60 PolarHBondContact O-N 3.3Å; G57-V60 PolarHBondContact O-N 2.92Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 3.42Å; V60-A63 PolarHBondContact O-N 2.93Å; V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 HydrophobicContact CG1-CG 4.35Å; V60-L64 WeakPolarHBondContact O-CB 3.47Å; V60-L64 VanDerWaalsContact O-CG 3.26Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.71Å |
| 61 | A | 90.1 | Very high | 83.2 | Confident | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G57 Q58 A63 L64 N65 | G57-A61 VanDerWaalsContact O-CB 3.29Å; G57-A61 WeakPolarHBondContact O-CB 3.44Å; G57-A61 PolarHBondContact O-N 2.77Å; Q58-A61 PolarHBondContact O-N 3Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; A61-A63 VanDerWaalsContact C-N 3.35Å; A61-A63 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 3.17Å; A61-N65 PolarHBondContact O-N 2.92Å |
| 62 | D | 88.5 | Confident | 81.4 | Confident | 108 Ų | 108 | 110.1 Ų | 110.1 | 58% | 0.578 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -37.2 | 176.8 | -72.1 | -10.4 | 0 | 0 | 0 | 111.8 | Q58 N65 P66 | Q58-D62 WeakPolarHBondContact O-CB 3.35Å; Q58-D62 VanDerWaalsContact O-CG 3.32Å; Q58-D62 PolarHBondContact O-N 2.72Å; D62-N65 CarbonylContact O-C 3.2Å; D62-P66 WeakPolarHBondContact O-CA 3.29Å; D62-P66 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 86.3 | Confident | 79.1 | Confident | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.2 | -34.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L59 V60 A61 | L59-A63 WeakPolarHBondContact O-CB 3.4Å; L59-A63 PolarHBondContact O-N 3.22Å; V60-A63 PolarHBondContact O-N 2.93Å; A61-A63 VanDerWaalsContact C-N 3.35Å; A61-A63 PolarHBondContact O-N 2.91Å |
| 64 | L | 88.5 | Confident | 76.9 | Confident | 143 Ų | 143 | 110.1 Ų | 110.1 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.5 | -24.8 | 179.2 | -67.1 | 175.9 | 0 | 0 | 0 | 112.8 | V60 A61 | V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 HydrophobicContact CG1-CG 4.35Å; V60-L64 WeakPolarHBondContact O-CB 3.47Å; V60-L64 VanDerWaalsContact O-CG 3.26Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.71Å; A61-L64 PolarHBondContact O-N 3.17Å |
| 65 | N | 78.7 | Confident | 74.6 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -137.2 | 80.8 | 176.3 | -164.5 | -37.3 | 0 | 0 | 0 | 108.9 | A61 D62 G67 | A61-N65 PolarHBondContact O-N 2.92Å; D62-N65 CarbonylContact O-C 3.2Å; N65-G67 PolarHBondContact O-N 2.86Å |
| 66 | P | 68.1 | Low | 72 | Confident | 108 Ų | 108 | 114.2 Ų | 114.2 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -64.6 | 94.8 | 169.3 | 27.2 | -32.4 | 0 | 0 | 0 | 107 | D62 | D62-P66 WeakPolarHBondContact O-CA 3.29Å; D62-P66 VanDerWaalsContact O-N 3.14Å | ||
| 67 | G | 65.9 | Low | 69.7 | Low | 44 Ų | 44 | 115.4 Ų | 115.4 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | trans | -57 | 156.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N65 E69 | N65-G67 PolarHBondContact O-N 2.86Å; G67-E69 PolarHBondContact O-N 2.86Å | ||
| 68 | P | 60.3 | Low | 67 | Low | 127 Ų | 127 | 119.4 Ų | 119.4 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | -52.4 | 115.7 | -177.1 | 19.6 | -29.7 | 0 | 0 | 0 | 109.5 | W70 | P68-W70 PolarHBondContact O-N 3.14Å; P68-W70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | E | 58.3 | Low | 64.5 | Low | 185 Ų | 185 | 119.2 Ų | 119.2 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 120.5 | -179.7 | -166.8 | 147.5 | 179.1 | 0 | 0 | 108.5 | G67 | G67-E69 PolarHBondContact O-N 2.86Š|
| 70 | W | 51.4 | Low | 61.6 | Low | 236 Ų | 236 | 120.9 Ų | 120.9 | 89% | 0.894 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.7 | -179 | -75 | 61.1 | 0 | 0 | 0 | 108.1 | P68 S72 | P68-W70 PolarHBondContact O-N 3.14Å; P68-W70 VanDerWaalsContact O-N 3.15Å; W70-S72 PolarHBondContact O-N 3.44Å |
| 71 | P | 50.4 | Low | 59.1 | Low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.2 | -178.4 | 22.2 | -30.4 | 0 | 0 | 0 | 108.8 | ||
| 72 | S | 60.7 | Low | 56.9 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.2 | 171 | 34.1 | 0 | 0 | 0 | 0 | 109.6 | W70 | W70-S72 PolarHBondContact O-N 3.44Š|
| 73 | P | 49.3 | Very low | 54.4 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58 | 132.5 | -179.6 | -19.3 | 29.5 | 0 | 0 | 0 | 109.9 | V75 | P73-V75 PolarHBondContact O-N 2.82Å; P73-V75 VanDerWaalsContact O-N 3.1Å |
| 74 | P | 51.4 | Low | 52 | Low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 118.9 | 178.4 | 25.5 | -31.6 | 0 | 0 | 0 | 108.8 | H76 | P74-H76 PolarHBondContact O-N 3.35Š|
| 75 | V | 48.5 | Very low | 49.6 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -65.2 | 106.4 | 165.2 | 177.5 | 0 | 0 | 0 | 0 | 106.2 | P73 T77 | P73-V75 PolarHBondContact O-N 2.82Å; P73-V75 VanDerWaalsContact O-N 3.1Å; V75-T77 PolarHBondContact O-N 3.02Å | ||
| 76 | H | 41.2 | Very low | 48 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -65.2 | 99.4 | 176.2 | -138.3 | -80.5 | 0 | 0 | 0 | 108.1 | P74 D78 | P74-H76 PolarHBondContact O-N 3.35Å; H76-D78 VanDerWaalsContact C-N 3.33Å; H76-D78 IonicContact CE1-OD2 3.57Å; H76-D78 IonicContact ND1-OD2 3.6Å; H76-D78 PolarHBondContact O-N 3.35Å | ||
| 77 | T | 48.9 | Very low | 46.7 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -74.3 | 92.6 | 159.2 | 43.2 | 0 | 0 | 0 | 0 | 107.1 | V75 | V75-T77 PolarHBondContact O-N 3.02Š| ||
| 78 | D | 38.5 | Very low | 45.7 | Very low | 124 Ų | 124 | 150 Ų | 150 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -104.5 | 116.1 | 164.3 | -142.3 | -66.9 | 0 | 0 | 0 | 108.7 | H76 | H76-D78 VanDerWaalsContact C-N 3.33Å; H76-D78 IonicContact CE1-OD2 3.57Å; H76-D78 IonicContact ND1-OD2 3.6Å; H76-D78 PolarHBondContact O-N 3.35Å | ||
| 79 | S | 42 | Very low | 44.7 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -73.2 | 115.7 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 80 | H | 32.4 | Very low | 43.9 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | -134.7 | 83.8 | 160.7 | -162.1 | -84.6 | 0 | 0 | 0 | 110.2 | E82 | H80-E82 PolarHBondContact CE1-O 3.31Š| ||
| 81 | E | 41.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -71.5 | 142.7 | 158.9 | -29.1 | -170.5 | 160.6 | 0 | 0 | 107.1 | ||||
| 82 | E | 43.5 | Very low | 43.6 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 78.9 | 95.7 | 164.4 | -57.8 | -174.7 | 103.2 | 0 | 0 | 119.8 | H80 | H80-E82 PolarHBondContact CE1-O 3.31Š| ||
| 83 | Q | 36.2 | Very low | 43.5 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -166.1 | 100.8 | 130.8 | -100.8 | 161.5 | 99.6 | 0 | 0 | 104.9 | ||||
| 84 | M | 35.8 | Very low | 44.1 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | 31.8 | 123.3 | 89.9 | -85.6 | -174.4 | 177.1 | 0 | 0 | 111.1 | |||||
| 85 | E | 37.9 | Very low | 45 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -166.2 | 152.3 | 25.7 | -101.2 | 155.8 | 155.6 | 0 | 0 | 106.3 | ||||
| 86 | E | 44.8 | Very low | 46.2 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | 28.9 | 99.3 | 143.7 | -159.3 | 171.4 | -164.4 | 0 | 0 | 119.2 | ||||
| 87 | E | 40.7 | Very low | 48.1 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -132.6 | 85 | 146.2 | -161.4 | 174.4 | 144.3 | 0 | 0 | 108 | E89 | E87-E89 HydrophobicContact CG-CB 4.32Å; E87-E89 PolarHBondContact O-N 3.48Å; E87-E89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | M | 46.1 | Very low | 49.4 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | trans | -75.2 | 81.6 | 157.8 | -84.4 | -166.4 | -170.5 | 0 | 0 | 107.9 | ||||
| 89 | E | 39.6 | Very low | 51.4 | Low | 129 Ų | 129 | 150.3 Ų | 150.3 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | trans | -135 | 111.7 | 161.6 | -104.7 | -174.9 | 146.4 | 0 | 0 | 110.3 | E87 | E87-E89 HydrophobicContact CG-CB 4.32Å; E87-E89 PolarHBondContact O-N 3.48Å; E87-E89 VanDerWaalsContact O-N 3.16Å | ||
| 90 | M | 40.2 | Very low | 53 | Low | 147 Ų | 147 | 152.8 Ų | 152.8 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 52.7 | 89.9 | 152.7 | -46 | -173.2 | -138.1 | 0 | 0 | 114.9 | E92 | M90-E92 PolarHBondContact O-N 2.96Š| ||
| 91 | Q | 45.9 | Very low | 55 | Low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -65.2 | 75.3 | 158.5 | -163.7 | 175.7 | 81 | 0 | 0 | 108 | Q93 | Q91-Q93 PolarHBondContact O-N 3.15Å; Q91-Q93 PolarHBondContact O-NE2 2.97Å | ||
| 92 | E | 50.8 | Low | 56.6 | Low | 173 Ų | 173 | 155.8 Ų | 155.8 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -52.5 | 124.4 | 155.2 | -70.5 | -165.4 | 127.9 | 0 | 0 | 104.9 | M90 E94 | M90-E92 PolarHBondContact O-N 2.96Å; E92-E94 PolarHBondContact O-N 3.01Å | ||
| 93 | Q | 57.7 | Low | 57.9 | Low | 155 Ų | 155 | 155 Ų | 155 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -64.5 | 86.5 | 171.1 | -89.2 | 73.1 | 86.3 | 0 | 0 | 106.9 | Q91 | Q91-Q93 PolarHBondContact O-N 3.15Å; Q91-Q93 PolarHBondContact O-NE2 2.97Å | ||
| 94 | E | 61.7 | Low | 59.3 | Low | 161 Ų | 161 | 152.7 Ų | 152.7 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -49.7 | 133.9 | 162.9 | -169.5 | 179.2 | 157.9 | 0 | 0 | 106.8 | E92 L96 | E92-E94 PolarHBondContact O-N 3.01Å; E94-L96 PolarHBondContact O-N 3.1Å | ||
| 95 | P | 70.4 | Confident | 60.2 | Low | 102 Ų | 102 | 150.1 Ų | 150.1 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -51.9 | 116.9 | 173.8 | -21.8 | 30.8 | 0 | 0 | 0 | 107.5 | V97 | P95-V97 WeakPolarHBondContact O-CG2 3.4Å; P95-V97 PolarHBondContact O-N 3.05Å | ||
| 96 | L | 74.9 | Confident | 61 | Low | 125 Ų | 125 | 147.2 Ų | 147.2 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | trans | -65.6 | 92.2 | 179.5 | -175.3 | 57.3 | 0 | 0 | 0 | 107.9 | E94 Y98 | E94-L96 PolarHBondContact O-N 3.1Å; L96-Y98 HydrophobicContact CB-CE2 4.22Å; L96-Y98 HydrophobicContact CD2-CE1 3.98Å; L96-Y98 HydrophobicContact CD2-CE2 3.65Å; L96-Y98 WeakPolarHBondContact CD2-OH 3.43Å; L96-Y98 HydrophobicContact CG-CD2 4.17Å; L96-Y98 HydrophobicContact CG-CE1 4.2Å; L96-Y98 HydrophobicContact CG-CE2 3.67Å; L96-Y98 WeakPolarHBondContact O-CD2 3.24Å; L96-Y98 PolarHBondContact O-N 3.11Å; L96-Y98 VanDerWaalsContact O-N 3.1Å | ||
| 97 | V | 79.2 | Confident | 61.7 | Low | 88 Ų | 88 | 145.1 Ų | 145.1 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | trans | -78.3 | 98.7 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 107 | P95 H99 | P95-V97 WeakPolarHBondContact O-CG2 3.4Å; P95-V97 PolarHBondContact O-N 3.05Å; V97-H99 VanDerWaalsContact CG1-CE1 3.45Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.31Å; V97-H99 PolarHBondContact O-CD2 3.02Å; V97-H99 PolarHBondContact O-N 3.13Å | ||
| 98 | Y | 77.8 | Confident | 62.4 | Low | 168 Ų | 168 | 141.5 Ų | 141.5 | 66% | 0.659 | 72% | 0.718 | S | S | * | * | trans | -70.5 | 96.6 | 171.5 | -68.7 | -83.8 | 0 | 0 | 0 | 109.3 | L96 H100 | L96-Y98 HydrophobicContact CB-CE2 4.22Å; L96-Y98 HydrophobicContact CD2-CE1 3.98Å; L96-Y98 HydrophobicContact CD2-CE2 3.65Å; L96-Y98 WeakPolarHBondContact CD2-OH 3.43Å; L96-Y98 HydrophobicContact CG-CD2 4.17Å; L96-Y98 HydrophobicContact CG-CE1 4.2Å; L96-Y98 HydrophobicContact CG-CE2 3.67Å; L96-Y98 WeakPolarHBondContact O-CD2 3.24Å; L96-Y98 PolarHBondContact O-N 3.11Å; L96-Y98 VanDerWaalsContact O-N 3.1Å; Y98-H100 PolarHBondContact O-N 2.97Å; Y98-H100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | H | 78.9 | Confident | 62.8 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 63% | 0.625 | 71% | 0.712 | S | S | * | * | trans | -75.5 | 96.3 | 167.3 | -61.7 | -72.5 | 0 | 0 | 0 | 108.7 | V97 H101 | V97-H99 VanDerWaalsContact CG1-CE1 3.45Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.31Å; V97-H99 PolarHBondContact O-CD2 3.02Å; V97-H99 PolarHBondContact O-N 3.13Å; H99-H101 VanDerWaalsContact CB-CE1 3.47Å; H99-H101 WeakPolarHBondContact CB-CE1 3.09Å; H99-H101 PolarHBondContact O-N 2.77Å; H99-H101 PolarHBondContact O-ND1 3.4Å | ||
| 100 | H | 77.2 | Confident | 63.4 | Low | 150 Ų | 150 | 137.4 Ų | 137.4 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | -63.7 | 86.7 | 170.4 | -63.3 | -68.4 | 0 | 0 | 0 | 109.5 | Y98 Y102 | Y98-H100 PolarHBondContact O-N 2.97Å; Y98-H100 VanDerWaalsContact O-N 3.1Å; H100-Y102 VanDerWaalsContact C-N 3.35Å; H100-Y102 PolarHBondContact O-N 3.16Å | ||
| 101 | H | 74.3 | Confident | 64.3 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 73% | 0.731 | 70% | 0.7 | S | S | * | * | trans | -72.3 | 97.8 | 168.6 | -73.2 | 65.6 | 0 | 0 | 0 | 106.4 | H99 L103 | H99-H101 VanDerWaalsContact CB-CE1 3.47Å; H99-H101 WeakPolarHBondContact CB-CE1 3.09Å; H99-H101 PolarHBondContact O-N 2.77Å; H99-H101 PolarHBondContact O-ND1 3.4Å; H101-L103 PolarHBondContact O-N 2.82Å; H101-L103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | Y | 74.3 | Confident | 64.5 | Low | 211 Ų | 211 | 131 Ų | 131 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.6 | 164.5 | -67.9 | -81.4 | 0 | 0 | 0 | 106.6 | H100 | H100-Y102 VanDerWaalsContact C-N 3.35Å; H100-Y102 PolarHBondContact O-N 3.16Å |
| 103 | L | 71.4 | Confident | 64.4 | Low | 152 Ų | 152 | 129 Ų | 129 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.5 | 169.7 | -80.1 | 83.5 | 0 | 0 | 0 | 106.8 | H101 C105 | H101-L103 PolarHBondContact O-N 2.82Å; H101-L103 VanDerWaalsContact O-N 3.13Å; L103-C105 PolarHBondContact O-N 3.15Å; L103-C105 VanDerWaalsContact O-N 3.11Å |
| 104 | P | 66.4 | Low | 64 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.4 | 166.7 | -19.6 | 29.8 | 0 | 0 | 0 | 107 | P106 | P104-P106 WeakPolarHBondContact O-CD 3.26Š|
| 105 | C | 54.8 | Low | 63.9 | Low | 110 Ų | 110 | 126.9 Ų | 126.9 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 118.7 | 179 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | L103 V107 | L103-C105 PolarHBondContact O-N 3.15Å; L103-C105 VanDerWaalsContact O-N 3.11Å; C105-V107 PolarHBondContact O-N 3.01Å |
| 106 | P | 53.4 | Low | 62.1 | Low | 99 Ų | 99 | 132.7 Ų | 132.7 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | -63.1 | 107.3 | 178.1 | 24.4 | -30.5 | 0 | 0 | 0 | 106.1 | P104 T108 | P104-P106 WeakPolarHBondContact O-CD 3.26Å; P106-T108 PolarHBondContact O-N 2.87Å; P106-T108 PolarHBondContact O-OG1 2.87Å | ||
| 107 | V | 60.2 | Low | 61.1 | Low | 138 Ų | 138 | 131 Ų | 131 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -63.3 | 88.2 | 164.9 | -178.2 | 0 | 0 | 0 | 0 | 104.5 | C105 P109 | C105-V107 PolarHBondContact O-N 3.01Å; V107-P109 WeakPolarHBondContact O-CD 3.48Å | ||
| 108 | T | 56.1 | Low | 59.2 | Low | 91 Ų | 91 | 131 Ų | 131 | 56% | 0.558 | 72% | 0.718 | S | S | * | * | trans | -68.7 | 123 | 177 | -50.8 | 0 | 0 | 0 | 0 | 104.4 | P106 L110 | P106-T108 PolarHBondContact O-N 2.87Å; P106-T108 PolarHBondContact O-OG1 2.87Å; T108-L110 PolarHBondContact O-N 3.32Å | ||
| 109 | P | 53.1 | Low | 58.1 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -62.2 | 108.3 | 170.9 | 25 | -29.2 | 0 | 0 | 0 | 105.5 | V107 G111 | V107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-G111 PolarHBondContact O-N 2.78Å | ||
| 110 | L | 52.4 | Low | 56.8 | Low | 106 Ų | 106 | 130 Ų | 130 | 56% | 0.555 | 73% | 0.726 | S | S | * | * | trans | -69.9 | 73.8 | -173.9 | -162.1 | 73.6 | 0 | 0 | 0 | 108.6 | T108 M113 L115 | T108-L110 PolarHBondContact O-N 3.32Å; L110-M113 HydrophobicContact CD1-CB 3.58Å; L110-M113 HydrophobicContact CD1-CG 3.73Å; L110-M113 HydrophobicContact CD1-SD 3.29Å; L110-M113 WeakPolarHBondContact CD1-SD 3.32Å; L110-M113 HydrophobicContact CG-CB 4.01Å; L110-L115 HydrophobicContact CD2-CD1 4.24Å | ||
| 111 | G | 60 | Low | 55.7 | Low | 50 Ų | 50 | 130.1 Ų | 130.1 | 52% | 0.515 | 73% | 0.731 | S | S | . | * | trans | -52.8 | 148.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P109 M113 | P109-G111 PolarHBondContact O-N 2.78Å; G111-M113 VanDerWaalsContact C-N 3.25Å; G111-M113 PolarHBondContact O-N 3.28Å | ||
| 112 | P | 49.6 | Very low | 54.5 | Low | 138 Ų | 138 | 128.1 Ų | 128.1 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -56.4 | 84.4 | -150.5 | 25 | -35.2 | 0 | 0 | 0 | 112.3 | S114 | P112-S114 PolarHBondContact O-N 3.5Š|
| 113 | M | 48.5 | Very low | 53.7 | Low | 131 Ų | 131 | 124.3 Ų | 124.3 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | trans | -77.2 | 114.2 | 169.7 | -92.9 | -173.1 | 166.3 | 0 | 0 | 104.5 | L110 G111 L115 | L110-M113 HydrophobicContact CD1-CB 3.58Å; L110-M113 HydrophobicContact CD1-CG 3.73Å; L110-M113 HydrophobicContact CD1-SD 3.29Å; L110-M113 WeakPolarHBondContact CD1-SD 3.32Å; L110-M113 HydrophobicContact CG-CB 4.01Å; G111-M113 VanDerWaalsContact C-N 3.25Å; G111-M113 PolarHBondContact O-N 3.28Å; M113-L115 PolarHBondContact O-N 3.06Å | ||
| 114 | S | 50.1 | Low | 53.3 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -57.6 | 90 | 170.4 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | P112 W116 | P112-S114 PolarHBondContact O-N 3.5Å; S114-W116 VanDerWaalsContact C-N 3.33Å; S114-W116 PolarHBondContact O-N 2.95Å | ||
| 115 | L | 58 | Low | 52.9 | Low | 154 Ų | 154 | 122 Ų | 122 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | trans | -68.1 | 92.7 | 163.3 | -77.8 | 160.5 | 0 | 0 | 0 | 107.1 | L110 M113 | L110-L115 HydrophobicContact CD2-CD1 4.24Å; M113-L115 PolarHBondContact O-N 3.06Å | ||
| 116 | W | 33.8 | Very low | 53 | Low | 224 Ų | 224 | 125.4 Ų | 125.4 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -130.5 | 136.5 | 163.3 | -168.1 | -87.6 | 0 | 0 | 0 | 110.7 | S114 A118 | S114-W116 VanDerWaalsContact C-N 3.33Å; S114-W116 PolarHBondContact O-N 2.95Å; W116-A118 PolarHBondContact O-N 3.3Å | ||
| 117 | P | 53.2 | Low | 53.5 | Low | 89 Ų | 89 | 128.4 Ų | 128.4 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | trans | -73.2 | 122.3 | -178 | 30.3 | -36.3 | 0 | 0 | 0 | 110.8 | S119 | P117-S119 PolarHBondContact O-N 2.84Š| ||
| 118 | A | 40.7 | Very low | 53.3 | Low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | trans | -88.4 | 81.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | W116 | W116-A118 PolarHBondContact O-N 3.3Š| ||
| 119 | S | 53.7 | Low | 53 | Low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -60.9 | 134.8 | 152.7 | -60.6 | 0 | 0 | 0 | 0 | 107.8 | P117 | P117-S119 PolarHBondContact O-N 2.84Š| ||
| 120 | F | 51.3 | Low | 52.5 | Low | 195 Ų | 195 | 132.8 Ų | 132.8 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | 78.2 | 73.4 | 173.6 | -40.7 | -74.6 | 0 | 0 | 0 | 116.4 | ||||
| 121 | L | 53.6 | Low | 52.6 | Low | 153 Ų | 153 | 136.4 Ų | 136.4 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.8 | 145.9 | -65.2 | 177.5 | 0 | 0 | 0 | 108.2 | ||
| 122 | P | 49.5 | Very low | 52 | Low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.4 | 165.2 | 24.7 | -29.3 | 0 | 0 | 0 | 109.1 | ||
| 123 | V | 58.4 | Low | 51.8 | Low | 131 Ų | 131 | 137.7 Ų | 137.7 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 126.1 | 166.3 | 165.8 | 0 | 0 | 0 | 0 | 108 | ||
| 124 | P | 62.8 | Low | 51.7 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.4 | 176.3 | 21.7 | -29.8 | 0 | 0 | 0 | 108.7 | H126 | P124-H126 PolarHBondContact O-N 3.23Å; P124-H126 VanDerWaalsContact O-N 3.09Å |
| 125 | P | 58.2 | Low | 51.9 | Low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.2 | 175.4 | 26.1 | -31.6 | 0 | 0 | 0 | 107.9 | ||
| 126 | H | 57.1 | Low | 51.8 | Low | 182 Ų | 182 | 138 Ų | 138 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 24.9 | 108 | 157 | -54.7 | -78.9 | 0 | 0 | 0 | 116.2 | P124 | P124-H126 PolarHBondContact O-N 3.23Å; P124-H126 VanDerWaalsContact O-N 3.09Å | ||
| 127 | Q | 63.2 | Low | 52.7 | Low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -55.3 | 144.1 | 167.6 | -57.3 | -166.6 | 17.1 | 0 | 0 | 110.7 | ||||
| 128 | P | 56.9 | Low | 52.5 | Low | 97 Ų | 97 | 138.3 Ų | 138.3 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | trans | -61.3 | 152 | 175.2 | 25.1 | -32.5 | 0 | 0 | 0 | 111 | W130 | P128-W130 PolarHBondContact O-N 3.01Š| ||
| 129 | P | 49.4 | Very low | 53.2 | Low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -65.5 | 111.1 | 177.9 | 9.5 | -1.5 | 0 | 0 | 0 | 108.5 | Q131 | P129-Q131 VanDerWaalsContact C-N 3.3Å; P129-Q131 PolarHBondContact O-N 2.72Å | ||
| 130 | W | 41.4 | Very low | 53.2 | Low | 225 Ų | 225 | 143.8 Ų | 143.8 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | trans | -63.5 | 95.3 | 168.3 | -73.9 | 89.4 | 0 | 0 | 0 | 108.3 | P128 G132 | P128-W130 PolarHBondContact O-N 3.01Å; W130-G132 PolarHBondContact O-N 3.17Å; W130-G132 VanDerWaalsContact O-N 3.14Å | ||
| 131 | Q | 54.4 | Low | 53.1 | Low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -73.3 | 93.7 | 164.7 | -73.1 | -80.4 | 13.7 | 0 | 0 | 107.5 | P129 | P129-Q131 VanDerWaalsContact C-N 3.3Å; P129-Q131 PolarHBondContact O-N 2.72Å | ||
| 132 | G | 47.7 | Very low | 52.6 | Low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | -156 | 83.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | W130 P134 | W130-G132 PolarHBondContact O-N 3.17Å; W130-G132 VanDerWaalsContact O-N 3.14Å; G132-P134 WeakPolarHBondContact O-CD 3.46Å | ||
| 133 | E | 46.3 | Very low | 52.7 | Low | 156 Ų | 156 | 137.9 Ų | 137.9 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | trans | -60.5 | 120.7 | 169.8 | -73.8 | 177 | 111.5 | 0 | 0 | 109.9 | ||||
| 134 | P | 45.9 | Very low | 51.9 | Low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -82.7 | 99.8 | 137.6 | 31.6 | -21.1 | 0 | 0 | 0 | 105.4 | G132 I136 | G132-P134 WeakPolarHBondContact O-CD 3.46Å; P134-I136 HydrophobicContact CB-CG1 4.37Å; P134-I136 PolarHBondContact O-N 3.02Å | ||
| 135 | R | 53.9 | Low | 51.3 | Low | 188 Ų | 188 | 146 Ų | 146 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -67.3 | 80.7 | 174 | -172.2 | -176.3 | -160.8 | 137 | 3.2 | 109.2 | Q137 | R135-Q137 HydrophobicContact CG-CG 4.39Å; R135-Q137 PolarHBondContact O-N 2.66Å; R135-Q137 VanDerWaalsContact O-N 3.17Å | ||
| 136 | I | 56.8 | Low | 51 | Low | 117 Ų | 117 | 148.4 Ų | 148.4 | 60% | 0.6 | 76% | 0.761 | S | S | * | * | trans | -81.9 | 95.4 | 170 | -48.3 | 177.8 | 0 | 0 | 0 | 106.8 | P134 H138 | P134-I136 HydrophobicContact CB-CG1 4.37Å; P134-I136 PolarHBondContact O-N 3.02Å; I136-H138 VanDerWaalsContact CG2-CE1 3.46Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.4Å; I136-H138 WeakPolarHBondContact CG2-NE2 3.4Å; I136-H138 PolarHBondContact O-CD2 3.05Å; I136-H138 PolarHBondContact O-N 3.14Å | ||
| 137 | Q | 52 | Low | 50.6 | Low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -64.1 | 93.7 | 169.2 | -82.8 | -98.2 | 110.3 | 0 | 0 | 109.4 | R135 Q139 | R135-Q137 HydrophobicContact CG-CG 4.39Å; R135-Q137 PolarHBondContact O-N 2.66Å; R135-Q137 VanDerWaalsContact O-N 3.17Å; Q137-Q139 PolarHBondContact O-N 3.24Å | ||
| 138 | H | 49.3 | Very low | 50.3 | Low | 158 Ų | 158 | 147 Ų | 147 | 73% | 0.731 | 76% | 0.762 | S | S | * | * | trans | -87.2 | 101.7 | 167.4 | -67.8 | -74.8 | 0 | 0 | 0 | 109.3 | I136 | I136-H138 VanDerWaalsContact CG2-CE1 3.46Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.4Å; I136-H138 WeakPolarHBondContact CG2-NE2 3.4Å; I136-H138 PolarHBondContact O-CD2 3.05Å; I136-H138 PolarHBondContact O-N 3.14Å | ||
| 139 | Q | 55.9 | Low | 50.3 | Low | 179 Ų | 179 | 152.9 Ų | 152.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63 | 133.4 | 164.8 | -161.1 | 175.4 | 19.8 | 0 | 0 | 108.7 | Q137 P141 | Q137-Q139 PolarHBondContact O-N 3.24Å; Q139-P141 WeakPolarHBondContact O-CD 3.17Å |
| 140 | P | 54.2 | Low | 51 | Low | 111 Ų | 111 | 155.2 Ų | 155.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 123.9 | 176.9 | 27.2 | -29.6 | 0 | 0 | 0 | 109.9 | A142 | P140-A142 PolarHBondContact O-N 3.02Š|
| 141 | P | 47.8 | Very low | 52.7 | Low | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 127.2 | 164.7 | 27.4 | -29 | 0 | 0 | 0 | 108.8 | Q139 | Q139-P141 WeakPolarHBondContact O-CD 3.17Š|
| 142 | A | 42.8 | Very low | 53.7 | Low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P140 R144 | P140-A142 PolarHBondContact O-N 3.02Å; A142-R144 PolarHBondContact O-N 2.94Å |
| 143 | S | 52.5 | Low | 55.2 | Low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 16.7 | 101.4 | 138.6 | 161 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 144 | R | 42.3 | Very low | 56.8 | Low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -131.1 | 117.3 | 152.8 | -161.1 | 175.5 | -177 | -146.7 | -2.5 | 109.7 | A142 | A142-R144 PolarHBondContact O-N 2.94Š| ||
| 145 | Q | 48.9 | Very low | 58.4 | Low | 162 Ų | 162 | 147.8 Ų | 147.8 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -52.3 | 145.1 | 172.8 | -78.2 | 171.1 | -69.6 | 0 | 0 | 112.3 | ||||
| 146 | E | 51.9 | Low | 59.7 | Low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 61.5 | 109.2 | 132.8 | -163.1 | 175.3 | -178.8 | 0 | 0 | 117.9 | ||||
| 147 | E | 48.9 | Very low | 60 | Low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | -165.1 | 156.2 | 127.6 | -153.5 | 149.2 | 173.8 | 0 | 0 | 112 | |||||
| 148 | V | 57 | Low | 60.4 | Low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 139.8 | -163.2 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 149 | R | 57.3 | Low | 61.2 | Low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 1.8 | 122.8 | 158.6 | -57.3 | -78.9 | -110.8 | -163 | -4.9 | 117.9 | ||||
| 150 | D | 63.3 | Low | 61.3 | Low | 167 Ų | 167 | 134.2 Ų | 134.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -129.2 | 69 | 158.9 | -95.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 151 | V | 77.8 | Confident | 61.6 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -116.7 | 125.1 | 160.7 | 179.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 152 | P | 76.1 | Confident | 62.2 | Low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.9 | 179.8 | 25.6 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 153 | P | 78.8 | Confident | 63 | Low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 152 | 175.1 | 28.6 | -34.4 | 0 | 0 | 0 | 110.7 | ||
| 154 | P | 79.2 | Confident | 63.3 | Low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 152.2 | 174.6 | 27.8 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 155 | P | 79.4 | Confident | 64.1 | Low | 103 Ų | 103 | 124.3 Ų | 124.3 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 154.7 | -179 | 27.5 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 156 | P | 81.1 | Confident | 64.6 | Low | 87 Ų | 87 | 124.1 Ų | 124.1 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150.3 | 179.5 | 28.4 | -34.2 | 0 | 0 | 0 | 111.8 | S158 A159 | P156-S158 PolarHBondContact O-N 2.75Å; P156-A159 WeakPolarHBondContact O-CB 3.45Å; P156-A159 PolarHBondContact O-N 3.04Å |
| 157 | P | 64.3 | Low | 64.9 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -63.3 | -12.7 | -178.3 | 24.4 | -33.3 | 0 | 0 | 0 | 114.4 | A159 | P157-A159 PolarHBondContact O-N 3.33Š|
| 158 | S | 60.4 | Low | 65.6 | Low | 112 Ų | 112 | 118.6 Ų | 118.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -69.9 | -13.6 | 172 | -47.1 | 0 | 0 | 0 | 0 | 113.9 | P156 | P156-S158 PolarHBondContact O-N 2.75Š|
| 159 | A | 64.7 | Low | 65.9 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -86.8 | -17.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P156 P157 | P156-A159 WeakPolarHBondContact O-CB 3.45Å; P156-A159 PolarHBondContact O-N 3.04Å; P157-A159 PolarHBondContact O-N 3.33Å |
| 160 | T | 58.8 | Low | 66.2 | Low | 124 Ų | 124 | 112.8 Ų | 112.8 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -117.6 | 45.2 | 174.7 | -40.3 | 0 | 0 | 0 | 0 | 110.1 | T162 | T160-T162 PolarHBondContact O-N 3.42Š|
| 161 | G | 60.7 | Low | 66.2 | Low | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | trans | -91 | 77.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V163 | G161-V163 VanDerWaalsContact C-N 3.31Å; G161-V163 PolarHBondContact O-N 2.85Å; G161-V163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | T | 60.8 | Low | 65.3 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -77.4 | 94.7 | 159.9 | 53.8 | 0 | 0 | 0 | 0 | 107 | T160 G164 | T160-T162 PolarHBondContact O-N 3.42Å; T162-G164 PolarHBondContact O-N 3.09Å | ||
| 163 | V | 58.8 | Low | 64.2 | Low | 141 Ų | 141 | 116.4 Ų | 116.4 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -47.4 | 126.1 | 168.1 | 162.8 | 0 | 0 | 0 | 0 | 109.5 | G161 | G161-V163 VanDerWaalsContact C-N 3.31Å; G161-V163 PolarHBondContact O-N 2.85Å; G161-V163 VanDerWaalsContact O-N 3.1Å | ||
| 164 | G | 57.9 | Low | 62.9 | Low | 62 Ų | 62 | 121.9 Ų | 121.9 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | -73.2 | 154.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T162 | T162-G164 PolarHBondContact O-N 3.09Š| ||
| 165 | A | 60.9 | Low | 62.2 | Low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 33.2 | 89 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 166 | D | 59.5 | Low | 61.4 | Low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -169.7 | 24.9 | 145.8 | -113.7 | -37.1 | 0 | 0 | 0 | 115.7 | ||||
| 167 | V | 57.1 | Low | 60.4 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -118.5 | 97.7 | 172.3 | -174.6 | 0 | 0 | 0 | 0 | 109 | P169 | V167-P169 WeakPolarHBondContact O-CD 3.29Š| ||
| 168 | P | 63.8 | Low | 60.4 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.6 | 168.1 | 26.4 | -29.8 | 0 | 0 | 0 | 108.4 | A170 | P168-A170 PolarHBondContact O-N 2.87Š|
| 169 | P | 64.1 | Low | 59.9 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 127.9 | 169.3 | 25.3 | -30.2 | 0 | 0 | 0 | 108.6 | V167 S171 | V167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-S171 PolarHBondContact O-N 3.11Å |
| 170 | A | 62.8 | Low | 59.6 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P168 D172 | P168-A170 PolarHBondContact O-N 2.87Å; A170-D172 PolarHBondContact O-N 2.61Å |
| 171 | S | 62.9 | Low | 59.6 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 111 | 165.1 | 41.7 | 0 | 0 | 0 | 0 | 109.8 | P169 | P169-S171 PolarHBondContact O-N 3.11Š| ||
| 172 | D | 59.9 | Low | 59.5 | Low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -160.3 | 77.4 | 152.8 | -76.6 | -43.4 | 0 | 0 | 0 | 106.2 | A170 | A170-D172 PolarHBondContact O-N 2.61Š| ||
| 173 | Y | 51.4 | Low | 59.5 | Low | 215 Ų | 215 | 136.9 Ų | 136.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | 46.1 | 95.7 | 110.4 | -125.2 | -97.1 | 0 | 0 | 0 | 112.1 | D175 | Y173-D175 PolarHBondContact O-N 2.73Š| |||
| 174 | Y | 53.2 | Low | 59.5 | Low | 232 Ų | 232 | 136.7 Ų | 136.7 | 91% | 0.91 | 80% | 0.803 | S | S | * | * | trans | -59 | 91.6 | 154.1 | -96.6 | -93.8 | 0 | 0 | 0 | 107 | A176 | Y174-A176 PolarHBondContact O-N 3.36Š| ||
| 175 | D | 63.3 | Low | 59.6 | Low | 124 Ų | 124 | 141.4 Ų | 141.4 | 66% | 0.663 | 81% | 0.813 | S | S | * | * | trans | -84.1 | 73.5 | 162.9 | -166.6 | 15.6 | 0 | 0 | 0 | 107.4 | Y173 | Y173-D175 PolarHBondContact O-N 2.73Š| ||
| 176 | A | 62.4 | Low | 59.5 | Low | 74 Ų | 74 | 144.4 Ų | 144.4 | 61% | 0.612 | 81% | 0.814 | S | S | * | * | trans | -119.5 | 87.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | Y174 | Y174-A176 PolarHBondContact O-N 3.36Š| ||
| 177 | E | 61.7 | Low | 59.5 | Low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 145.3 | 70.3 | 157.3 | -74.1 | -86 | 125.3 | 0 | 0 | 109.8 | ||
| 178 | S | 62.7 | Low | 59.7 | Low | 90 Ų | 90 | 144.1 Ų | 144.1 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | trans | -170.1 | 94.8 | 158.1 | -86.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 179 | L | 50.9 | Low | 59.4 | Low | 167 Ų | 167 | 146.8 Ų | 146.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | 161.1 | 169.4 | 90.6 | -76.6 | 167.4 | 0 | 0 | 0 | 106.6 | |||||
| 180 | P | 57 | Low | 58.9 | Low | 195 Ų | 195 | 149 Ų | 149 | 100% | 1.266 | 82% | 0.821 | S | S | * | * | cis | -117.4 | 0 | -34 | 37 | -24.3 | 0 | 0 | 0 | 113.4 |
Retrieved 180 of 180 residues in 161.5 ms
(Link to these results)