| 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 | R | 36.4 | Very low | 39.2 | Very low | 301 Ų | 301 | 166.1 Ų | 166.1 | 100% | 1.136 | 81% | 0.811 | S | S | * | * | 0 | 126.5 | 0 | 179.9 | -177.8 | -90.7 | -169.9 | -5.3 | 106.5 | |||||
| 2 | C | 35.5 | Very low | 40 | Very low | 116 Ų | 116 | 165.3 Ų | 165.3 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -59.2 | 157.6 | 172.7 | -42.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | E | 33.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 165.5 Ų | 165.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | -137.9 | -165.1 | 21.3 | -76.2 | -179.8 | 52.6 | 0 | 0 | 109.5 | ||||
| 4 | Q | 38.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 170.7 Ų | 170.7 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | cis | -153.1 | -177.8 | 11.1 | -151 | 160.2 | 68 | 0 | 0 | 112 | ||||
| 5 | H | 31.1 | Very low | 41 | Very low | 174 Ų | 174 | 175.3 Ų | 175.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -119.2 | 177.2 | 175.9 | -93.7 | -100.7 | 0 | 0 | 0 | 109.3 | ||||
| 6 | P | 51.7 | Low | 40.6 | Very low | 92 Ų | 92 | 168.9 Ų | 168.9 | 60% | 0.597 | 82% | 0.819 | S | S | * | * | cis | -143.2 | -168.6 | -44.8 | 42 | -24.7 | 0 | 0 | 0 | 113.7 | ||||
| 7 | K | 39.3 | Very low | 40.7 | Very low | 190 Ų | 190 | 173.1 Ų | 173.1 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | 67.9 | 107.5 | 156.1 | -65.9 | 171.3 | -177.3 | 175.3 | 0 | 119.3 | ||||
| 8 | R | 38.7 | Very low | 40.7 | Very low | 244 Ų | 244 | 173.7 Ų | 173.7 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | -151.4 | 119 | 109.2 | -137.5 | -178.5 | -74.7 | -134.8 | 0.7 | 112.7 | |||||
| 9 | L | 40.8 | Very low | 40.8 | Very low | 164 Ų | 164 | 170 Ų | 170 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -52.2 | 152.6 | 152 | -93.8 | 71.9 | 0 | 0 | 0 | 110.8 | ||||
| 10 | G | 41.4 | Very low | 40.4 | Very low | 62 Ų | 62 | 165.2 Ų | 165.2 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | trans | 133.2 | 130 | 149.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 11 | L | 43.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 164.8 Ų | 164.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 73 | 152 | 175.7 | -61.8 | 90.7 | 0 | 0 | 0 | 116.8 | ||||
| 12 | Q | 49 | Very low | 40.3 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | trans | 75.7 | 50.8 | 169.8 | -44.2 | -54.6 | 61 | 0 | 0 | 119.3 | ||||
| 13 | L | 38.8 | Very low | 40.4 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -141.3 | 84.3 | 139.6 | -157.1 | 62 | 0 | 0 | 0 | 114 | R15 | L13-R15 PolarHBondContact O-N 3Š| ||
| 14 | W | 49.5 | Very low | 40.4 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -55.6 | 98.9 | 162 | -91.2 | 72.7 | 0 | 0 | 0 | 112.1 | ||||
| 15 | R | 46.4 | Very low | 40.4 | Very low | 239 Ų | 239 | 152.7 Ų | 152.7 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -165.3 | 57.7 | 150.7 | -152.7 | 165.2 | -69.4 | -166.8 | -1 | 113.6 | L13 | L13-R15 PolarHBondContact O-N 3Š| ||
| 16 | G | 33.9 | Very low | 40.7 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -111.4 | 97.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E18 | G16-E18 PolarHBondContact O-N 3.49Å; G16-E18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | R | 42.1 | Very low | 39.9 | Very low | 239 Ų | 239 | 152.5 Ų | 152.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -34.7 | 109.1 | 169.5 | 172.8 | -175.2 | -75.1 | -174.9 | -6.8 | 113.7 | P19 | R17-P19 WeakPolarHBondContact O-CD 3.42Š| ||
| 18 | E | 41.9 | Very low | 40.1 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 125.3 | 162.6 | -82.6 | -88.4 | 81.7 | 0 | 0 | 110.2 | G16 | G16-E18 PolarHBondContact O-N 3.49Å; G16-E18 VanDerWaalsContact O-N 3.17Å | ||
| 19 | P | 41.1 | Very low | 40.7 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -102.4 | 137.1 | 170.1 | 35.5 | -26.5 | 0 | 0 | 0 | 111.7 | R17 | R17-P19 WeakPolarHBondContact O-CD 3.42Š| ||
| 20 | G | 34.1 | Very low | 41.4 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | 78.2 | 93.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115 | G22 | G20-G22 PolarHBondContact O-N 2.82Š| ||
| 21 | N | 34.1 | Very low | 42 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -47.7 | 122.4 | 165.9 | -175.9 | 30.5 | 0 | 0 | 0 | 110.3 | Q23 | N21-Q23 PolarHBondContact O-N 3.06Š| ||
| 22 | G | 40.8 | Very low | 42.9 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | trans | -70.2 | 90.6 | -169 | 0 | 0 | 0 | 0 | 0 | 113 | G20 Q24 | G20-G22 PolarHBondContact O-N 2.82Å; G22-Q24 PolarHBondContact O-N 3.44Å | ||
| 23 | Q | 38.1 | Very low | 43.5 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -75.8 | 48.8 | 158 | -154.3 | 86.8 | 35.9 | 0 | 0 | 110 | N21 A25 | N21-Q23 PolarHBondContact O-N 3.06Å; Q23-A25 VanDerWaalsContact C-N 3.27Å; Q23-A25 PolarHBondContact O-N 2.92Å | ||
| 24 | Q | 33.2 | Very low | 44.5 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -68.5 | 98.3 | 164.1 | -171 | 155.6 | 29.5 | 0 | 0 | 105.6 | G22 A26 | G22-Q24 PolarHBondContact O-N 3.44Å; Q24-A26 PolarHBondContact O-N 3.48Å | ||
| 25 | A | 38.6 | Very low | 45.4 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | trans | -60.2 | 91.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q23 F27 | Q23-A25 VanDerWaalsContact C-N 3.27Å; Q23-A25 PolarHBondContact O-N 2.92Å; A25-F27 HydrophobicContact CB-CD2 4.3Å; A25-F27 HydrophobicContact CB-CE2 4.1Å; A25-F27 WeakPolarHBondContact O-CD2 3.27Å; A25-F27 PolarHBondContact O-N 2.79Å | ||
| 26 | A | 36.9 | Very low | 46.6 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -69.1 | 75.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q24 P28 | Q24-A26 PolarHBondContact O-N 3.48Å; A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.31Å | ||
| 27 | F | 34.7 | Very low | 48.4 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 76% | 0.763 | 70% | 0.696 | S | S | * | * | trans | -44.9 | 113.7 | 147.1 | -69.3 | -83.1 | 0 | 0 | 0 | 104.9 | A25 T29 | A25-F27 HydrophobicContact CB-CD2 4.3Å; A25-F27 HydrophobicContact CB-CE2 4.1Å; A25-F27 WeakPolarHBondContact O-CD2 3.27Å; A25-F27 PolarHBondContact O-N 2.79Å; F27-T29 PolarHBondContact O-N 2.82Å | ||
| 28 | P | 44.9 | Very low | 49.7 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | trans | -61 | 116.9 | 178.5 | 24.6 | -31.3 | 0 | 0 | 0 | 105.2 | A26 V30 | A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-V30 HydrophobicContact CB-CG2 4.17Å; P28-V30 HydrophobicContact CG-CG2 4.06Å; P28-V30 VanDerWaalsContact O-CG2 3.29Å; P28-V30 WeakPolarHBondContact O-CG2 3.3Å; P28-V30 PolarHBondContact O-N 3.13Å | ||
| 29 | T | 51.2 | Low | 51.1 | Low | 135 Ų | 135 | 110 Ų | 110 | 83% | 0.828 | 65% | 0.65 | S | S | * | * | trans | -65 | 89.1 | 166.7 | -26.7 | 0 | 0 | 0 | 0 | 104.6 | F27 T31 | F27-T29 PolarHBondContact O-N 2.82Å; T29-T31 PolarHBondContact O-N 3.4Å | ||
| 30 | V | 55.7 | Low | 52.7 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 46% | 0.461 | 64% | 0.643 | S | S | . | * | trans | -71.1 | 82.8 | -177.1 | -169.9 | 0 | 0 | 0 | 0 | 106.1 | P28 N32 L35 | P28-V30 HydrophobicContact CB-CG2 4.17Å; P28-V30 HydrophobicContact CG-CG2 4.06Å; P28-V30 VanDerWaalsContact O-CG2 3.29Å; P28-V30 WeakPolarHBondContact O-CG2 3.3Å; P28-V30 PolarHBondContact O-N 3.13Å; V30-N32 PolarHBondContact O-N 3.29Å; V30-N32 VanDerWaalsContact O-N 3.14Å; V30-L35 HydrophobicContact CG1-CB 3.72Å; V30-L35 HydrophobicContact CG1-CD1 4.24Å | ||
| 31 | T | 54.2 | Low | 54.7 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | trans | -47.3 | 122.2 | 169.7 | 35.8 | 0 | 0 | 0 | 0 | 106.8 | T29 M33 K34 | T29-T31 PolarHBondContact O-N 3.4Å; T31-M33 PolarHBondContact O-N 3.02Å; T31-K34 PolarHBondContact O-N 3.24Å; T31-K34 WeakPolarHBondContact OG1-CD 3.12Å | ||
| 32 | N | 61.5 | Low | 56.3 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50 | -29.6 | -166.2 | -72.7 | -71.2 | 0 | 0 | 0 | 113.4 | V30 L36 | V30-N32 PolarHBondContact O-N 3.29Å; V30-N32 VanDerWaalsContact O-N 3.14Å; N32-L36 WeakPolarHBondContact O-CG 3.45Å; N32-L36 PolarHBondContact O-N 3.47Å |
| 33 | M | 62.4 | Low | 57.7 | Low | 163 Ų | 163 | 110.3 Ų | 110.3 | 80% | 0.803 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.7 | -36.8 | 174.8 | -138.6 | 174.4 | -171.1 | 0 | 0 | 114.6 | T31 A37 | T31-M33 PolarHBondContact O-N 3.02Å; M33-A37 WeakPolarHBondContact O-CB 3.17Å; M33-A37 PolarHBondContact O-N 3.1Å |
| 34 | K | 59.9 | Low | 59.2 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.5 | -31.7 | -179.9 | -63.3 | -175.9 | 74.4 | 155.2 | 0 | 112.3 | T31 A38 | T31-K34 PolarHBondContact O-N 3.24Å; T31-K34 WeakPolarHBondContact OG1-CD 3.12Å; K34-A38 WeakPolarHBondContact O-CB 3.15Å; K34-A38 PolarHBondContact O-N 2.73Å |
| 35 | L | 68.4 | Low | 60.7 | Low | 98 Ų | 98 | 100.9 Ų | 100.9 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -50.8 | 171.2 | -168.9 | 68.2 | 0 | 0 | 0 | 110.1 | V30 A37 A38 T39 | V30-L35 HydrophobicContact CG1-CB 3.72Å; V30-L35 HydrophobicContact CG1-CD1 4.24Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.05Å; L35-A38 PolarHBondContact O-N 3.47Å; L35-A38 VanDerWaalsContact O-N 3.11Å; L35-T39 PolarHBondContact O-N 2.61Å; L35-T39 PolarHBondContact O-OG1 2.9Å; L35-T39 VanDerWaalsContact O-OG1 3.06Å |
| 36 | L | 70.4 | Confident | 61.6 | Low | 115 Ų | 115 | 100.9 Ų | 100.9 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.8 | -43.1 | 177.6 | -68.1 | 171.4 | 0 | 0 | 0 | 111.8 | N32 A38 T39 V40 | N32-L36 WeakPolarHBondContact O-CG 3.45Å; N32-L36 PolarHBondContact O-N 3.47Å; L36-A38 PolarHBondContact O-N 2.8Å; L36-T39 PolarHBondContact O-N 2.76Å; L36-V40 WeakPolarHBondContact O-CB 3.47Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.13Å; L36-V40 PolarHBondContact O-N 3.38Å |
| 37 | A | 71.8 | Confident | 62.6 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M33 L35 L41 | M33-A37 WeakPolarHBondContact O-CB 3.17Å; M33-A37 PolarHBondContact O-N 3.1Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.05Å; A37-L41 VanDerWaalsContact O-CB 3.31Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 2.93Å |
| 38 | A | 71 | Confident | 63.7 | Low | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.2 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | K34 L35 L36 L41 L42 | K34-A38 WeakPolarHBondContact O-CB 3.15Å; K34-A38 PolarHBondContact O-N 2.73Å; L35-A38 PolarHBondContact O-N 3.47Å; L35-A38 VanDerWaalsContact O-N 3.11Å; L36-A38 PolarHBondContact O-N 2.8Å; A38-L41 PolarHBondContact O-N 3.46Å; A38-L42 WeakPolarHBondContact O-CB 3.28Å; A38-L42 WeakPolarHBondContact O-CG 3.13Å; A38-L42 PolarHBondContact O-N 3.28Å |
| 39 | T | 69.9 | Low | 64.1 | Low | 68 Ų | 68 | 95.6 Ų | 95.6 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.2 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | L35 L36 L42 L43 | L35-T39 PolarHBondContact O-N 2.61Å; L35-T39 PolarHBondContact O-OG1 2.9Å; L35-T39 VanDerWaalsContact O-OG1 3.06Å; L36-T39 PolarHBondContact O-N 2.76Å; T39-L42 PolarHBondContact O-N 3.16Å; T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 WeakPolarHBondContact O-CB 3.31Å; T39-L43 WeakPolarHBondContact O-CG 3.38Å; T39-L43 PolarHBondContact O-N 2.89Å |
| 40 | V | 75.2 | Confident | 64.2 | Low | 87 Ų | 87 | 92 Ų | 92 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.1 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L36 L43 T44 | L36-V40 WeakPolarHBondContact O-CB 3.47Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.13Å; L36-V40 PolarHBondContact O-N 3.38Å; V40-L43 PolarHBondContact O-N 2.74Å; V40-T44 HydrophobicContact CG1-CG2 4.39Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 2.82Å; V40-T44 PolarHBondContact O-OG1 2.99Å |
| 41 | L | 75 | Confident | 63.9 | Low | 108 Ų | 108 | 91.5 Ų | 91.5 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176.3 | -157.6 | 81.1 | 0 | 0 | 0 | 111.6 | A37 A38 T44 I45 | A37-L41 VanDerWaalsContact O-CB 3.31Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 2.93Å; A38-L41 PolarHBondContact O-N 3.46Å; L41-T44 WeakPolarHBondContact CA-OG1 3.4Å; L41-T44 PolarHBondContact O-N 3.44Å; L41-T44 PolarHBondContact O-OG1 2.88Å; L41-I45 HydrophobicContact CD2-CD1 4.34Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 WeakPolarHBondContact O-CB 3.42Å; L41-I45 WeakPolarHBondContact O-CD1 3.48Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.49Å |
| 42 | L | 68.9 | Low | 63.5 | Low | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.1 | -78.5 | 161.6 | 0 | 0 | 0 | 111.7 | A38 T39 T44 I45 C46 | A38-L42 WeakPolarHBondContact O-CB 3.28Å; A38-L42 WeakPolarHBondContact O-CG 3.13Å; A38-L42 PolarHBondContact O-N 3.28Å; T39-L42 PolarHBondContact O-N 3.16Å; L42-T44 PolarHBondContact O-N 3.02Å; L42-I45 PolarHBondContact O-N 3.5Å; L42-C46 WeakPolarHBondContact O-CB 3.31Å; L42-C46 PolarHBondContact O-N 2.8Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.34Å |
| 43 | L | 70.7 | Confident | 63 | Low | 106 Ų | 106 | 89.6 Ų | 89.6 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 175.7 | -82.3 | 164 | 0 | 0 | 0 | 112.3 | T39 V40 S47 | T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 WeakPolarHBondContact O-CB 3.31Å; T39-L43 WeakPolarHBondContact O-CG 3.38Å; T39-L43 PolarHBondContact O-N 2.89Å; V40-L43 PolarHBondContact O-N 2.74Å; L43-S47 WeakPolarHBondContact O-CB 3.42Å; L43-S47 PolarHBondContact O-N 3.43Å; L43-S47 PolarHBondContact O-OG 2.73Å |
| 44 | T | 68 | Low | 62.3 | Low | 78 Ų | 78 | 92.8 Ų | 92.8 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70 | -39.4 | 176.1 | 55 | 0 | 0 | 0 | 0 | 111.4 | V40 L41 L42 L48 | V40-T44 HydrophobicContact CG1-CG2 4.39Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 2.82Å; V40-T44 PolarHBondContact O-OG1 2.99Å; L41-T44 WeakPolarHBondContact CA-OG1 3.4Å; L41-T44 PolarHBondContact O-N 3.44Å; L41-T44 PolarHBondContact O-OG1 2.88Å; L42-T44 PolarHBondContact O-N 3.02Å; T44-L48 WeakPolarHBondContact O-CB 3.15Å; T44-L48 PolarHBondContact O-N 2.98Å |
| 45 | I | 66.2 | Low | 61.9 | Low | 80 Ų | 80 | 96.5 Ų | 96.5 | 41% | 0.41 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -51.3 | 174 | -68.2 | 162.6 | 0 | 0 | 0 | 110.4 | L41 L42 S47 L48 E49 | L41-I45 HydrophobicContact CD2-CD1 4.34Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 WeakPolarHBondContact O-CB 3.42Å; L41-I45 WeakPolarHBondContact O-CD1 3.48Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.49Å; L42-I45 PolarHBondContact O-N 3.5Å; I45-S47 PolarHBondContact O-N 2.96Å; I45-L48 CarbonylContact O-C 3.49Å; I45-L48 WeakPolarHBondContact O-CA 3.31Å; I45-L48 WeakPolarHBondContact O-CB 3.05Å; I45-L48 PolarHBondContact O-N 2.65Å; I45-L48 VanDerWaalsContact O-N 3.1Å; I45-E49 WeakPolarHBondContact O-CG 3.5Å; I45-E49 PolarHBondContact O-N 2.77Å |
| 46 | C | 57.3 | Low | 60.5 | Low | 66 Ų | 66 | 95 Ų | 95 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -30.7 | -178.9 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | L42 L48 E49 G50 | L42-C46 WeakPolarHBondContact O-CB 3.31Å; L42-C46 PolarHBondContact O-N 2.8Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.34Å; C46-L48 VanDerWaalsContact C-N 3.35Å; C46-E49 WeakPolarHBondContact CA-OE2 3.27Å; C46-E49 PolarHBondContact O-N 3.14Å; C46-E49 PolarHBondContact SG-OE2 3.41Å; C46-E49 VanDerWaalsContact SG-OE2 3.39Å; C46-G50 PolarHBondContact O-N 2.86Å |
| 47 | S | 57.8 | Low | 59.1 | Low | 82 Ų | 82 | 94.3 Ų | 94.3 | 57% | 0.573 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.6 | -35.2 | 170.6 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L43 I45 G50 A51 | L43-S47 WeakPolarHBondContact O-CB 3.42Å; L43-S47 PolarHBondContact O-N 3.43Å; L43-S47 PolarHBondContact O-OG 2.73Å; I45-S47 PolarHBondContact O-N 2.96Å; S47-G50 PolarHBondContact O-N 3.28Å; S47-A51 PolarHBondContact O-N 3.29Å |
| 48 | L | 57.6 | Low | 57.7 | Low | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -43.4 | 172.1 | -166.4 | 68.4 | 0 | 0 | 0 | 109.8 | T44 I45 C46 G50 A51 L52 | T44-L48 WeakPolarHBondContact O-CB 3.15Å; T44-L48 PolarHBondContact O-N 2.98Å; I45-L48 CarbonylContact O-C 3.49Å; I45-L48 WeakPolarHBondContact O-CA 3.31Å; I45-L48 WeakPolarHBondContact O-CB 3.05Å; I45-L48 PolarHBondContact O-N 2.65Å; I45-L48 VanDerWaalsContact O-N 3.1Å; C46-L48 VanDerWaalsContact C-N 3.35Å; L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 3.02Å; L48-A51 CarbonylContact O-C 3.51Å; L48-A51 PolarHBondContact O-N 2.8Å; L48-L52 WeakPolarHBondContact O-CA 3.36Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 PolarHBondContact O-N 2.91Å |
| 49 | E | 52.6 | Low | 56.4 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 29% | 0.29 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.2 | -43.5 | 171.5 | -71.4 | 175.3 | 116.5 | 0 | 0 | 111.5 | I45 C46 A51 L52 V53 | I45-E49 WeakPolarHBondContact O-CG 3.5Å; I45-E49 PolarHBondContact O-N 2.77Å; C46-E49 WeakPolarHBondContact CA-OE2 3.27Å; C46-E49 PolarHBondContact O-N 3.14Å; C46-E49 PolarHBondContact SG-OE2 3.41Å; C46-E49 VanDerWaalsContact SG-OE2 3.39Å; E49-A51 VanDerWaalsContact C-N 3.25Å; E49-A51 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 3.08Å; E49-V53 VanDerWaalsContact O-CB 3.27Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 WeakPolarHBondContact O-CG2 3.37Å; E49-V53 PolarHBondContact O-N 3.21Å |
| 50 | G | 53.1 | Low | 55.5 | Low | 60 Ų | 60 | 104.4 Ų | 104.4 | 62% | 0.619 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -30.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C46 S47 L48 | C46-G50 PolarHBondContact O-N 2.86Å; S47-G50 PolarHBondContact O-N 3.28Å; L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 3.02Å |
| 51 | A | 51 | Low | 54.5 | Low | 65 Ų | 65 | 103.6 Ų | 103.6 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -88.7 | -30.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | S47 L48 E49 | S47-A51 PolarHBondContact O-N 3.29Å; L48-A51 CarbonylContact O-C 3.51Å; L48-A51 PolarHBondContact O-N 2.8Å; E49-A51 VanDerWaalsContact C-N 3.25Å; E49-A51 PolarHBondContact O-N 3.47Å |
| 52 | L | 46 | Very low | 53.5 | Low | 67 Ų | 67 | 101 Ų | 101 | 35% | 0.351 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -83.5 | -34.2 | -174.7 | -167.2 | 72.5 | 0 | 0 | 0 | 111.5 | L48 E49 R54 R55 Q56 | L48-L52 WeakPolarHBondContact O-CA 3.36Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 PolarHBondContact O-N 2.91Å; E49-L52 PolarHBondContact O-N 3.08Å; L52-R54 PolarHBondContact O-N 3.15Å; L52-R54 VanDerWaalsContact O-N 3.11Å; L52-R55 CarbonylContact O-C 3.38Å; L52-R55 WeakPolarHBondContact O-CA 3.41Å; L52-R55 PolarHBondContact O-N 3.49Å; L52-Q56 HydrophobicContact CG-CB 4.11Å; L52-Q56 WeakPolarHBondContact O-CB 3.27Å; L52-Q56 PolarHBondContact O-N 3.35Å |
| 53 | V | 50.3 | Low | 52.8 | Low | 105 Ų | 105 | 103 Ų | 103 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -31.7 | 170 | 161.6 | 0 | 0 | 0 | 0 | 111.4 | E49 R55 | E49-V53 VanDerWaalsContact O-CB 3.27Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 WeakPolarHBondContact O-CG2 3.37Å; E49-V53 PolarHBondContact O-N 3.21Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 2.87Å |
| 54 | R | 48.1 | Very low | 52.3 | Low | 230 Ų | 230 | 101.6 Ų | 101.6 | 87% | 0.868 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -0.5 | 175.8 | -154.9 | 174.5 | 172.6 | -168.4 | -4.2 | 114.3 | L52 | L52-R54 PolarHBondContact O-N 3.15Å; L52-R54 VanDerWaalsContact O-N 3.11Å |
| 55 | R | 51.1 | Low | 52 | Low | 228 Ų | 228 | 103.9 Ų | 103.9 | 86% | 0.86 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -4.4 | 174.2 | -75.3 | -152.8 | 177.8 | -153.6 | 1.8 | 115.2 | L52 V53 | L52-R55 CarbonylContact O-C 3.38Å; L52-R55 WeakPolarHBondContact O-CA 3.41Å; L52-R55 PolarHBondContact O-N 3.49Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 2.87Å |
| 56 | Q | 38.5 | Very low | 51.7 | Low | 67 Ų | 67 | 102.8 Ų | 102.8 | 31% | 0.313 | 57% | 0.568 | S | S | . | * | trans | -118 | 14.4 | -174.9 | -156.3 | 176 | 36.5 | 0 | 0 | 112.8 | L52 E58 E59 V62 | L52-Q56 HydrophobicContact CG-CB 4.11Å; L52-Q56 WeakPolarHBondContact O-CB 3.27Å; L52-Q56 PolarHBondContact O-N 3.35Å; Q56-E58 PolarHBondContact O-N 3.44Å; Q56-E59 HydrophobicContact CG-CB 4.49Å; Q56-E59 PolarHBondContact O-N 2.78Å; Q56-V62 HydrophobicContact CG-CG2 4.26Å | ||
| 57 | A | 41.6 | Very low | 52 | Low | 100 Ų | 100 | 102.7 Ų | 102.7 | 83% | 0.826 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 20.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 58 | E | 41.8 | Very low | 52.6 | Low | 181 Ų | 181 | 104.5 Ų | 104.5 | 85% | 0.846 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 2.5 | -173 | -157.5 | 159.4 | 105.5 | 0 | 0 | 113.1 | Q56 | Q56-E58 PolarHBondContact O-N 3.44Š|
| 59 | E | 43.4 | Very low | 52.9 | Low | 106 Ų | 106 | 107 Ų | 107 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | trans | -139.5 | 105.5 | 178 | -116 | -63.4 | 126 | 0 | 0 | 112.4 | Q56 S61 | Q56-E59 HydrophobicContact CG-CB 4.49Å; Q56-E59 PolarHBondContact O-N 2.78Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.79Å; E59-S61 VanDerWaalsContact OE2-CB 3.27Å; E59-S61 WeakPolarHBondContact OE2-CB 3.29Å; E59-S61 PolarHBondContact OE2-OG 3.39Å | ||
| 60 | P | 51.7 | Low | 53.7 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 2.5 | -171.1 | 33 | -36.7 | 0 | 0 | 0 | 114.6 | ||
| 61 | S | 54.2 | Low | 54.4 | Low | 70 Ų | 70 | 113.5 Ų | 113.5 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.2 | -27.8 | -173.6 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | E59 | E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.79Å; E59-S61 VanDerWaalsContact OE2-CB 3.27Å; E59-S61 WeakPolarHBondContact OE2-CB 3.29Å; E59-S61 PolarHBondContact OE2-OG 3.39Å |
| 62 | V | 54.1 | Low | 55.3 | Low | 53 Ų | 53 | 113.8 Ų | 113.8 | 32% | 0.321 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -83.9 | -30.8 | -172.2 | -68 | 0 | 0 | 0 | 0 | 114.5 | Q56 S64 L65 V66 | Q56-V62 HydrophobicContact CG-CG2 4.26Å; V62-S64 PolarHBondContact O-N 2.92Å; V62-L65 PolarHBondContact O-N 2.73Å; V62-L65 VanDerWaalsContact O-N 3.13Å; V62-V66 WeakPolarHBondContact O-CG2 3.38Å; V62-V66 PolarHBondContact O-N 2.78Å |
| 63 | E | 54.6 | Low | 56.3 | Low | 145 Ų | 145 | 114.2 Ų | 114.2 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.2 | -34.3 | 178.5 | -82.1 | -169.7 | 98.5 | 0 | 0 | 112 | S67 | E63-S67 WeakPolarHBondContact O-CB 3.15Å; E63-S67 PolarHBondContact O-N 2.91Å; E63-S67 PolarHBondContact O-OG 3.18Å |
| 64 | S | 59.6 | Low | 57.3 | Low | 78 Ų | 78 | 113 Ų | 113 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | V62 S67 Q68 | V62-S64 PolarHBondContact O-N 2.92Å; S64-S67 PolarHBondContact O-N 2.93Å; S64-Q68 VanDerWaalsContact O-CB 3.31Å; S64-Q68 WeakPolarHBondContact O-CB 3.4Å; S64-Q68 PolarHBondContact O-N 3.17Å |
| 65 | L | 60.8 | Low | 58.5 | Low | 126 Ų | 126 | 107 Ų | 107 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -42.7 | 179.9 | -132.8 | 76.4 | 0 | 0 | 0 | 111.7 | V62 Q68 Y69 | V62-L65 PolarHBondContact O-N 2.73Å; V62-L65 VanDerWaalsContact O-N 3.13Å; L65-Q68 PolarHBondContact O-N 3.07Å; L65-Y69 WeakPolarHBondContact O-CB 3.27Å; L65-Y69 PolarHBondContact O-N 3.13Å |
| 66 | V | 60 | Low | 59.1 | Low | 56 Ų | 56 | 103.8 Ų | 103.8 | 34% | 0.339 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -43.6 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V62 Q68 Y69 F70 | V62-V66 WeakPolarHBondContact O-CG2 3.38Å; V62-V66 PolarHBondContact O-N 2.78Å; V66-Q68 PolarHBondContact O-N 3.26Å; V66-Y69 PolarHBondContact O-N 2.71Å; V66-F70 HydrophobicContact CG1-CD2 3.91Å; V66-F70 HydrophobicContact CG1-CE2 4.36Å; V66-F70 WeakPolarHBondContact O-CB 3.27Å; V66-F70 PolarHBondContact O-N 3.07Å |
| 67 | S | 63.8 | Low | 60.6 | Low | 64 Ų | 64 | 102.3 Ų | 102.3 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.6 | -42.9 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | E63 S64 F70 Q71 | E63-S67 WeakPolarHBondContact O-CB 3.15Å; E63-S67 PolarHBondContact O-N 2.91Å; E63-S67 PolarHBondContact O-OG 3.18Å; S64-S67 PolarHBondContact O-N 2.93Å; S67-F70 PolarHBondContact O-N 2.79Å; S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.21Å; S67-Q71 VanDerWaalsContact O-CG 3.3Å; S67-Q71 WeakPolarHBondContact O-CG 3.44Å; S67-Q71 PolarHBondContact O-N 3.29Å |
| 68 | Q | 70.4 | Confident | 61.8 | Low | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.2 | -38.1 | 176.7 | -173 | 176.5 | -7.2 | 0 | 0 | 111.7 | S64 L65 V66 T72 | S64-Q68 VanDerWaalsContact O-CB 3.31Å; S64-Q68 WeakPolarHBondContact O-CB 3.4Å; S64-Q68 PolarHBondContact O-N 3.17Å; L65-Q68 PolarHBondContact O-N 3.07Å; V66-Q68 PolarHBondContact O-N 3.26Å; Q68-T72 WeakPolarHBondContact O-CB 3.48Å; Q68-T72 PolarHBondContact O-N 3.29Å; Q68-T72 PolarHBondContact O-OG1 2.95Å |
| 69 | Y | 64.9 | Low | 63 | Low | 163 Ų | 163 | 97.4 Ų | 97.4 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -45.9 | 174.5 | -160.1 | -92.5 | 0 | 0 | 0 | 111.5 | L65 V66 T72 V73 | L65-Y69 WeakPolarHBondContact O-CB 3.27Å; L65-Y69 PolarHBondContact O-N 3.13Å; V66-Y69 PolarHBondContact O-N 2.71Å; Y69-T72 PolarHBondContact O-N 2.83Å; Y69-V73 HydrophobicContact CD1-CG2 3.9Å; Y69-V73 HydrophobicContact CE1-CG2 3.74Å; Y69-V73 WeakPolarHBondContact O-CB 3.41Å; Y69-V73 VanDerWaalsContact O-CG2 3.31Å; Y69-V73 WeakPolarHBondContact O-CG2 3.2Å; Y69-V73 PolarHBondContact O-N 3.16Å |
| 70 | F | 67.9 | Low | 63.9 | Low | 124 Ų | 124 | 97.1 Ų | 97.1 | 54% | 0.544 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.2 | -107 | -89.2 | 0 | 0 | 0 | 112.2 | V66 S67 V73 T74 | V66-F70 HydrophobicContact CG1-CD2 3.91Å; V66-F70 HydrophobicContact CG1-CE2 4.36Å; V66-F70 WeakPolarHBondContact O-CB 3.27Å; V66-F70 PolarHBondContact O-N 3.07Å; S67-F70 PolarHBondContact O-N 2.79Å; F70-V73 PolarHBondContact O-N 3.41Å; F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 2.84Å; F70-T74 PolarHBondContact O-OG1 3.24Å |
| 71 | Q | 68.6 | Low | 64.3 | Low | 135 Ų | 135 | 98.1 Ų | 98.1 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -48.9 | 173.7 | -80 | -179.3 | -12.7 | 0 | 0 | 110.9 | S67 V73 T74 D75 | S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.21Å; S67-Q71 VanDerWaalsContact O-CG 3.3Å; S67-Q71 WeakPolarHBondContact O-CG 3.44Å; S67-Q71 PolarHBondContact O-N 3.29Å; Q71-V73 PolarHBondContact O-N 3.42Å; Q71-T74 PolarHBondContact O-N 2.56Å; Q71-T74 VanDerWaalsContact O-N 3.14Å; Q71-D75 PolarHBondContact O-N 3.39Å |
| 72 | T | 68.9 | Low | 64.6 | Low | 72 Ų | 72 | 101.1 Ų | 101.1 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | Q68 Y69 T74 Y76 | Q68-T72 WeakPolarHBondContact O-CB 3.48Å; Q68-T72 PolarHBondContact O-N 3.29Å; Q68-T72 PolarHBondContact O-OG1 2.95Å; Y69-T72 PolarHBondContact O-N 2.83Å; T72-T74 VanDerWaalsContact C-N 3.35Å; T72-Y76 HydrophobicContact CG2-CD2 4.18Å; T72-Y76 HydrophobicContact CG2-CE2 4.42Å; T72-Y76 WeakPolarHBondContact O-CB 3.37Å; T72-Y76 WeakPolarHBondContact O-CD2 3.39Å; T72-Y76 PolarHBondContact O-N 2.66Å |
| 73 | V | 68.1 | Low | 64.8 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | Y69 F70 Q71 G77 | Y69-V73 HydrophobicContact CD1-CG2 3.9Å; Y69-V73 HydrophobicContact CE1-CG2 3.74Å; Y69-V73 WeakPolarHBondContact O-CB 3.41Å; Y69-V73 VanDerWaalsContact O-CG2 3.31Å; Y69-V73 WeakPolarHBondContact O-CG2 3.2Å; Y69-V73 PolarHBondContact O-N 3.16Å; F70-V73 PolarHBondContact O-N 3.41Å; Q71-V73 PolarHBondContact O-N 3.42Å; V73-G77 PolarHBondContact O-N 3.49Å |
| 74 | T | 70.9 | Confident | 64.8 | Low | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74 | -38.1 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | F70 Q71 T72 G77 K78 | F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 2.84Å; F70-T74 PolarHBondContact O-OG1 3.24Å; Q71-T74 PolarHBondContact O-N 2.56Å; Q71-T74 VanDerWaalsContact O-N 3.14Å; T72-T74 VanDerWaalsContact C-N 3.35Å; T74-G77 CarbonylContact O-C 3.58Å; T74-G77 PolarHBondContact O-N 2.78Å; T74-K78 PolarHBondContact O-N 2.64Å |
| 75 | D | 74.4 | Confident | 64.4 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -42.7 | 173.4 | -100.8 | -37.9 | 0 | 0 | 0 | 111.5 | Q71 G77 K78 D79 | Q71-D75 PolarHBondContact O-N 3.39Å; D75-G77 VanDerWaalsContact C-N 3.27Å; D75-G77 PolarHBondContact O-N 3.34Å; D75-K78 PolarHBondContact O-N 2.93Å; D75-K78 VanDerWaalsContact O-N 3.13Å; D75-D79 PolarHBondContact O-N 3.23Å |
| 76 | Y | 63 | Low | 64.2 | Low | 160 Ų | 160 | 102.2 Ų | 102.2 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -41.2 | 168.5 | -97.1 | -78.5 | 0 | 0 | 0 | 111.7 | T72 K78 D79 L80 | T72-Y76 HydrophobicContact CG2-CD2 4.18Å; T72-Y76 HydrophobicContact CG2-CE2 4.42Å; T72-Y76 WeakPolarHBondContact O-CB 3.37Å; T72-Y76 WeakPolarHBondContact O-CD2 3.39Å; T72-Y76 PolarHBondContact O-N 2.66Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 2.75Å; Y76-D79 PolarHBondContact O-N 2.7Å; Y76-L80 WeakPolarHBondContact O-CB 3.41Å; Y76-L80 VanDerWaalsContact O-CD1 3.31Å; Y76-L80 WeakPolarHBondContact O-CD1 3.48Å; Y76-L80 PolarHBondContact O-N 2.82Å |
| 77 | G | 69.5 | Low | 64 | Low | 37 Ų | 37 | 104.1 Ų | 104.1 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V73 T74 D75 M81 | V73-G77 PolarHBondContact O-N 3.49Å; T74-G77 CarbonylContact O-C 3.58Å; T74-G77 PolarHBondContact O-N 2.78Å; D75-G77 VanDerWaalsContact C-N 3.27Å; D75-G77 PolarHBondContact O-N 3.34Å; G77-M81 WeakPolarHBondContact O-CB 3.31Å; G77-M81 PolarHBondContact O-N 3.06Å |
| 78 | K | 67.3 | Low | 63.5 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.1 | -46.6 | 173.8 | -92.1 | 179.3 | 72.2 | -163.1 | 0 | 112.4 | T74 D75 Y76 L80 M81 E82 | T74-K78 PolarHBondContact O-N 2.64Å; D75-K78 PolarHBondContact O-N 2.93Å; D75-K78 VanDerWaalsContact O-N 3.13Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 2.75Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.14Å; K78-M81 HydrophobicContact CG-CE 4.25Å; K78-M81 CarbonylContact O-C 3.59Å; K78-M81 PolarHBondContact O-N 2.7Å; K78-M81 VanDerWaalsContact O-N 3.1Å; K78-E82 PolarHBondContact O-N 3.07Å |
| 79 | D | 66.9 | Low | 62.9 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.4 | 177.9 | 76.6 | 0 | 0 | 0 | 111.4 | D75 Y76 K83 | D75-D79 PolarHBondContact O-N 3.23Å; Y76-D79 PolarHBondContact O-N 2.7Å; D79-K83 WeakPolarHBondContact O-CG 3.26Å; D79-K83 PolarHBondContact O-N 2.8Å; D79-K83 IonicContact OD1-NZ 2.76Å; D79-K83 PolarHBondContact OD1-NZ 3.11Å; D79-K83 IonicContact OD2-NZ 2.61Å; D79-K83 PolarHBondContact OD2-NZ 2.7Å |
| 80 | L | 62.8 | Low | 62.5 | Low | 100 Ų | 100 | 105 Ų | 105 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 169.4 | -95.8 | 76.6 | 0 | 0 | 0 | 111.7 | Y76 K78 E82 K83 V84 | Y76-L80 WeakPolarHBondContact O-CB 3.41Å; Y76-L80 VanDerWaalsContact O-CD1 3.31Å; Y76-L80 WeakPolarHBondContact O-CD1 3.48Å; Y76-L80 PolarHBondContact O-N 2.82Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.14Å; L80-E82 VanDerWaalsContact C-N 3.35Å; L80-E82 PolarHBondContact O-N 3.19Å; L80-K83 CarbonylContact O-C 3.51Å; L80-K83 PolarHBondContact O-N 3.38Å; L80-V84 WeakPolarHBondContact O-CB 3.1Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 2.92Å |
| 81 | M | 59.6 | Low | 62.2 | Low | 121 Ų | 121 | 102 Ų | 102 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -32.6 | 180 | -177.6 | 170.6 | 57.7 | 0 | 0 | 112.8 | G77 K78 K85 | G77-M81 WeakPolarHBondContact O-CB 3.31Å; G77-M81 PolarHBondContact O-N 3.06Å; K78-M81 HydrophobicContact CG-CE 4.25Å; K78-M81 CarbonylContact O-C 3.59Å; K78-M81 PolarHBondContact O-N 2.7Å; K78-M81 VanDerWaalsContact O-N 3.1Å; M81-K85 WeakPolarHBondContact O-CB 3.42Å; M81-K85 PolarHBondContact O-N 3.47Å |
| 82 | E | 61.1 | Low | 61.6 | Low | 134 Ų | 134 | 100.9 Ų | 100.9 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.8 | -37.3 | 171.4 | -79.8 | -169.9 | 74.6 | 0 | 0 | 112.3 | K78 L80 K85 | K78-E82 PolarHBondContact O-N 3.07Å; L80-E82 VanDerWaalsContact C-N 3.35Å; L80-E82 PolarHBondContact O-N 3.19Å; E82-K85 VanDerWaalsContact O-CB 3.27Å; E82-K85 WeakPolarHBondContact O-CB 3.42Å; E82-K85 PolarHBondContact O-N 2.74Å |
| 83 | K | 58.2 | Low | 61.2 | Low | 140 Ų | 140 | 100 Ų | 100 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.5 | -33.4 | 172.7 | -75 | 166.7 | 173 | 126.9 | 0 | 113.5 | D79 L80 K85 | D79-K83 WeakPolarHBondContact O-CG 3.26Å; D79-K83 PolarHBondContact O-N 2.8Å; D79-K83 IonicContact OD1-NZ 2.76Å; D79-K83 PolarHBondContact OD1-NZ 3.11Å; D79-K83 IonicContact OD2-NZ 2.61Å; D79-K83 PolarHBondContact OD2-NZ 2.7Å; L80-K83 CarbonylContact O-C 3.51Å; L80-K83 PolarHBondContact O-N 3.38Å; K83-K85 VanDerWaalsContact C-N 3.27Å |
| 84 | V | 53.9 | Low | 60.9 | Low | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -81 | -8.4 | 177.5 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | L80 S86 L89 | L80-V84 WeakPolarHBondContact O-CB 3.1Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 2.92Å; V84-S86 PolarHBondContact O-N 3.18Å; V84-L89 HydrophobicContact CG1-CD2 3.59Å; V84-L89 HydrophobicContact CG2-CD2 4.38Å |
| 85 | K | 52 | Low | 60.6 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 0.3 | 170.3 | -127.9 | 175.6 | -171.2 | 173.9 | 0 | 114 | M81 E82 K83 P87 | M81-K85 WeakPolarHBondContact O-CB 3.42Å; M81-K85 PolarHBondContact O-N 3.47Å; E82-K85 VanDerWaalsContact O-CB 3.27Å; E82-K85 WeakPolarHBondContact O-CB 3.42Å; E82-K85 PolarHBondContact O-N 2.74Å; K83-K85 VanDerWaalsContact C-N 3.27Å; K85-P87 WeakPolarHBondContact O-CD 3.04Å |
| 86 | S | 55.4 | Low | 59.9 | Low | 44 Ų | 44 | 104 Ų | 104 | 31% | 0.308 | 53% | 0.534 | S | S | . | . | trans | -60.7 | 119.9 | 165 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | V84 E88 L89 | V84-S86 PolarHBondContact O-N 3.18Å; S86-E88 PolarHBondContact O-N 3.05Å; S86-E88 PolarHBondContact OG-OE2 3.23Å; S86-E88 VanDerWaalsContact OG-OE2 3.06Å; S86-L89 PolarHBondContact O-N 3.39Å; S86-L89 VanDerWaalsContact O-N 3.16Å | ||
| 87 | P | 56.3 | Low | 59.9 | Low | 97 Ų | 97 | 103 Ų | 103 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -14.8 | -178.9 | 24.9 | -33.6 | 0 | 0 | 0 | 113.4 | K85 Q90 A91 | K85-P87 WeakPolarHBondContact O-CD 3.04Å; P87-Q90 PolarHBondContact O-N 3.4Å; P87-A91 PolarHBondContact O-N 3.46Å |
| 88 | E | 54.3 | Low | 59.7 | Low | 148 Ų | 148 | 107.7 Ų | 107.7 | 69% | 0.692 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -42.4 | 173.8 | -62.6 | 175.8 | 123.8 | 0 | 0 | 112.6 | S86 Q90 A91 Q92 | S86-E88 PolarHBondContact O-N 3.05Å; S86-E88 PolarHBondContact OG-OE2 3.23Å; S86-E88 VanDerWaalsContact OG-OE2 3.06Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 2.97Å; E88-A91 PolarHBondContact O-N 2.66Å; E88-Q92 VanDerWaalsContact O-CB 3.28Å; E88-Q92 WeakPolarHBondContact O-CB 3.47Å; E88-Q92 PolarHBondContact O-N 3.1Å |
| 89 | L | 56.7 | Low | 59.5 | Low | 87 Ų | 87 | 109.7 Ų | 109.7 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.8 | -31.2 | 178.8 | -159 | 78.4 | 0 | 0 | 0 | 111.1 | V84 S86 A93 | V84-L89 HydrophobicContact CG1-CD2 3.59Å; V84-L89 HydrophobicContact CG2-CD2 4.38Å; S86-L89 PolarHBondContact O-N 3.39Å; S86-L89 VanDerWaalsContact O-N 3.16Å; L89-A93 WeakPolarHBondContact O-CA 3.44Å; L89-A93 WeakPolarHBondContact O-CB 3.16Å; L89-A93 PolarHBondContact O-N 3.43Å |
| 90 | Q | 56 | Low | 59.2 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -41.2 | 174.8 | -169.2 | -173.3 | 91 | 0 | 0 | 111.7 | P87 E88 K94 | P87-Q90 PolarHBondContact O-N 3.4Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 2.97Å; Q90-K94 WeakPolarHBondContact O-CB 3.35Å; Q90-K94 WeakPolarHBondContact O-CG 3.16Å; Q90-K94 PolarHBondContact O-N 2.76Å |
| 91 | A | 62.2 | Low | 59 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P87 E88 K94 A95 | P87-A91 PolarHBondContact O-N 3.46Å; E88-A91 PolarHBondContact O-N 2.66Å; A91-K94 PolarHBondContact O-N 2.89Å; A91-A95 PolarHBondContact O-N 3.16Å; A91-A95 VanDerWaalsContact O-N 3.08Å |
| 92 | Q | 56.7 | Low | 59.1 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 52% | 0.519 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.1 | -43.8 | 176.8 | -173.3 | 171.3 | 81.4 | 0 | 0 | 111.6 | E88 K94 A95 Y96 | E88-Q92 VanDerWaalsContact O-CB 3.28Å; E88-Q92 WeakPolarHBondContact O-CB 3.47Å; E88-Q92 PolarHBondContact O-N 3.1Å; Q92-K94 VanDerWaalsContact C-N 3.34Å; Q92-K94 PolarHBondContact O-N 2.82Å; Q92-A95 PolarHBondContact O-N 2.97Å; Q92-Y96 HydrophobicContact CG-CD2 3.71Å; Q92-Y96 HydrophobicContact CG-CE2 3.57Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.14Å; Q92-Y96 PolarHBondContact O-N 2.87Å |
| 93 | A | 61 | Low | 58.9 | Low | 52 Ų | 52 | 112 Ų | 112 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L89 Y96 F97 | L89-A93 WeakPolarHBondContact O-CA 3.44Å; L89-A93 WeakPolarHBondContact O-CB 3.16Å; L89-A93 PolarHBondContact O-N 3.43Å; A93-Y96 PolarHBondContact O-N 2.89Å; A93-F97 WeakPolarHBondContact O-CB 3.37Å; A93-F97 PolarHBondContact O-N 3.36Å |
| 94 | K | 60.8 | Low | 59.1 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.5 | -47.5 | 172.6 | -83.4 | -177.7 | 175.8 | 179.1 | 0 | 112 | Q90 A91 Q92 Y96 F97 E98 | Q90-K94 WeakPolarHBondContact O-CB 3.35Å; Q90-K94 WeakPolarHBondContact O-CG 3.16Å; Q90-K94 PolarHBondContact O-N 2.76Å; A91-K94 PolarHBondContact O-N 2.89Å; Q92-K94 VanDerWaalsContact C-N 3.34Å; Q92-K94 PolarHBondContact O-N 2.82Å; K94-Y96 PolarHBondContact O-N 3.41Å; K94-F97 PolarHBondContact O-N 3.3Å; K94-F97 VanDerWaalsContact O-N 3.15Å; K94-E98 PolarHBondContact O-N 2.86Å |
| 95 | A | 65.3 | Low | 59.6 | Low | 60 Ų | 60 | 109.1 Ų | 109.1 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 Q92 F97 K99 | A91-A95 PolarHBondContact O-N 3.16Å; A91-A95 VanDerWaalsContact O-N 3.08Å; Q92-A95 PolarHBondContact O-N 2.97Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-K99 WeakPolarHBondContact O-CB 3.22Å; A95-K99 PolarHBondContact O-N 2.88Å; A95-K99 VanDerWaalsContact O-N 3.16Å |
| 96 | Y | 58 | Low | 60.1 | Low | 150 Ų | 150 | 105 Ų | 105 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.5 | -32.8 | 172.9 | -81.2 | -72.5 | 0 | 0 | 0 | 112.6 | Q92 A93 K94 S100 | Q92-Y96 HydrophobicContact CG-CD2 3.71Å; Q92-Y96 HydrophobicContact CG-CE2 3.57Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.14Å; Q92-Y96 PolarHBondContact O-N 2.87Å; A93-Y96 PolarHBondContact O-N 2.89Å; K94-Y96 PolarHBondContact O-N 3.41Å; Y96-S100 WeakPolarHBondContact O-CB 3.39Å; Y96-S100 PolarHBondContact O-N 2.94Å; Y96-S100 PolarHBondContact O-OG 2.87Å |
| 97 | F | 64.2 | Low | 60.4 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.7 | -34 | -179.6 | -159 | -87.5 | 0 | 0 | 0 | 112.5 | A93 K94 A95 K101 | A93-F97 WeakPolarHBondContact O-CB 3.37Å; A93-F97 PolarHBondContact O-N 3.36Å; K94-F97 PolarHBondContact O-N 3.3Å; K94-F97 VanDerWaalsContact O-N 3.15Å; A95-F97 VanDerWaalsContact C-N 3.34Å; F97-K101 HydrophobicContact CD1-CD 4.08Å; F97-K101 HydrophobicContact CD1-CG 4.1Å; F97-K101 HydrophobicContact CE1-CD 4.12Å; F97-K101 HydrophobicContact CE1-CG 4.06Å; F97-K101 WeakPolarHBondContact O-CB 3.36Å; F97-K101 WeakPolarHBondContact O-CG 3.4Å; F97-K101 PolarHBondContact O-N 3.43Å |
| 98 | E | 65.4 | Low | 61.1 | Low | 135 Ų | 135 | 108 Ų | 108 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.8 | -50 | 169.4 | -75.9 | -168.1 | 134.7 | 0 | 0 | 111.3 | K94 S100 K101 E102 | K94-E98 PolarHBondContact O-N 2.86Å; E98-S100 PolarHBondContact O-N 3.48Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 3.22Å; E98-E102 PolarHBondContact O-N 3.35Å |
| 99 | K | 62.8 | Low | 61.8 | Low | 144 Ų | 144 | 108 Ų | 108 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | 175.7 | -165.1 | -178.6 | -175 | -179.8 | 0 | 112.4 | A95 | A95-K99 WeakPolarHBondContact O-CB 3.22Å; A95-K99 PolarHBondContact O-N 2.88Å; A95-K99 VanDerWaalsContact O-N 3.16Å |
| 100 | S | 60.7 | Low | 62.3 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.5 | -40 | 173.3 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | Y96 E98 E102 Q103 L104 | Y96-S100 WeakPolarHBondContact O-CB 3.39Å; Y96-S100 PolarHBondContact O-N 2.94Å; Y96-S100 PolarHBondContact O-OG 2.87Å; E98-S100 PolarHBondContact O-N 3.48Å; S100-E102 PolarHBondContact O-N 3.01Å; S100-Q103 CarbonylContact O-C 3.56Å; S100-Q103 PolarHBondContact O-N 2.86Å; S100-L104 WeakPolarHBondContact O-CA 3.31Å; S100-L104 WeakPolarHBondContact O-CB 3.24Å; S100-L104 PolarHBondContact O-N 3.38Å |
| 101 | K | 58.8 | Low | 63.2 | Low | 116 Ų | 116 | 108 Ų | 108 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -53.4 | -40.1 | 179.4 | -94.8 | 175.6 | 60.4 | -174.9 | 0 | 112.4 | F97 E98 Q103 T105 | F97-K101 HydrophobicContact CD1-CD 4.08Å; F97-K101 HydrophobicContact CD1-CG 4.1Å; F97-K101 HydrophobicContact CE1-CD 4.12Å; F97-K101 HydrophobicContact CE1-CG 4.06Å; F97-K101 WeakPolarHBondContact O-CB 3.36Å; F97-K101 WeakPolarHBondContact O-CG 3.4Å; F97-K101 PolarHBondContact O-N 3.43Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 3.22Å; K101-Q103 PolarHBondContact O-N 2.84Å; K101-T105 VanDerWaalsContact O-CB 3.26Å; K101-T105 WeakPolarHBondContact O-CB 3.38Å; K101-T105 PolarHBondContact O-N 3.02Å; K101-T105 PolarHBondContact O-OG1 3.11Å |
| 102 | E | 62.3 | Low | 63.9 | Low | 156 Ų | 156 | 106.6 Ų | 106.6 | 73% | 0.729 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 179.2 | -65.4 | -175.6 | 112 | 0 | 0 | 112.5 | E98 S100 P106 | E98-E102 PolarHBondContact O-N 3.35Å; S100-E102 PolarHBondContact O-N 3.01Å; E102-P106 WeakPolarHBondContact O-CD 3.47Å |
| 103 | Q | 56.5 | Low | 65 | Low | 151 Ų | 151 | 106 Ų | 106 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -90.1 | -24.2 | 178.5 | -60.7 | -159.6 | 8.5 | 0 | 0 | 114.2 | S100 K101 P106 | S100-Q103 CarbonylContact O-C 3.56Å; S100-Q103 PolarHBondContact O-N 2.86Å; K101-Q103 PolarHBondContact O-N 2.84Å; Q103-P106 WeakPolarHBondContact O-CD 3.35Å; Q103-P106 VanDerWaalsContact O-CG 3.32Å; Q103-P106 WeakPolarHBondContact O-CG 3.17Å |
| 104 | L | 62.5 | Low | 65.7 | Low | 87 Ų | 87 | 107.3 Ų | 107.3 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -87 | -23.1 | -178.4 | -150.9 | 79.3 | 0 | 0 | 0 | 111.7 | S100 L107 V108 | S100-L104 WeakPolarHBondContact O-CA 3.31Å; S100-L104 WeakPolarHBondContact O-CB 3.24Å; S100-L104 PolarHBondContact O-N 3.38Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-V108 HydrophobicContact CD2-CG2 4.17Å; L104-V108 HydrophobicContact CG-CG2 4.03Å; L104-V108 VanDerWaalsContact O-CB 3.31Å; L104-V108 WeakPolarHBondContact O-CB 3.26Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.48Å |
| 105 | T | 64.1 | Low | 66.7 | Low | 70 Ų | 70 | 106.2 Ų | 106.2 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -55.7 | -50.2 | 173 | -65.6 | 0 | 0 | 0 | 0 | 113 | K101 K109 | K101-T105 VanDerWaalsContact O-CB 3.26Å; K101-T105 WeakPolarHBondContact O-CB 3.38Å; K101-T105 PolarHBondContact O-N 3.02Å; K101-T105 PolarHBondContact O-OG1 3.11Å; T105-K109 WeakPolarHBondContact O-CB 3.21Å; T105-K109 WeakPolarHBondContact O-CG 3.35Å; T105-K109 PolarHBondContact O-N 2.8Å |
| 106 | P | 62.9 | Low | 67.4 | Low | 75 Ų | 75 | 108.2 Ų | 108.2 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -35.2 | 175 | 25.5 | -33.9 | 0 | 0 | 0 | 112.7 | E102 Q103 K110 | E102-P106 WeakPolarHBondContact O-CD 3.47Å; Q103-P106 WeakPolarHBondContact O-CD 3.35Å; Q103-P106 VanDerWaalsContact O-CG 3.32Å; Q103-P106 WeakPolarHBondContact O-CG 3.17Å; P106-K110 WeakPolarHBondContact O-CB 3.27Å; P106-K110 PolarHBondContact O-N 3.41Å |
| 107 | L | 61.4 | Low | 68.5 | Low | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.3 | -45 | 177.6 | -112.1 | 72.6 | 0 | 0 | 0 | 112.7 | L104 K110 A111 | L104-L107 PolarHBondContact O-N 2.84Å; L107-K110 PolarHBondContact O-N 2.95Å; L107-A111 WeakPolarHBondContact O-CB 3.41Å; L107-A111 PolarHBondContact O-N 2.69Å |
| 108 | V | 69.9 | Low | 69.4 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -37.9 | 176.3 | 161.5 | 0 | 0 | 0 | 0 | 111.3 | L104 G112 | L104-V108 HydrophobicContact CD2-CG2 4.17Å; L104-V108 HydrophobicContact CG-CG2 4.03Å; L104-V108 VanDerWaalsContact O-CB 3.31Å; L104-V108 WeakPolarHBondContact O-CB 3.26Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.48Å; V108-G112 VanDerWaalsContact O-CA 3.27Å; V108-G112 WeakPolarHBondContact O-CA 3.42Å; V108-G112 PolarHBondContact O-N 3.01Å |
| 109 | K | 69.3 | Low | 70.1 | Confident | 148 Ų | 148 | 104.1 Ų | 104.1 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 171.9 | -79.1 | -174.4 | 174.8 | -173.6 | 0 | 111.3 | T105 T113 | T105-K109 WeakPolarHBondContact O-CB 3.21Å; T105-K109 WeakPolarHBondContact O-CG 3.35Å; T105-K109 PolarHBondContact O-N 2.8Å; K109-T113 VanDerWaalsContact O-CB 3.32Å; K109-T113 WeakPolarHBondContact O-CB 3.34Å; K109-T113 PolarHBondContact O-N 3.19Å; K109-T113 PolarHBondContact O-OG1 2.96Å |
| 110 | K | 68.3 | Low | 70.8 | Confident | 156 Ų | 156 | 100.2 Ų | 100.2 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -57.5 | 179.7 | -163.9 | -173.9 | 179.6 | -164.2 | 0 | 111.3 | P106 L107 G112 T113 D114 | P106-K110 WeakPolarHBondContact O-CB 3.27Å; P106-K110 PolarHBondContact O-N 3.41Å; L107-K110 PolarHBondContact O-N 2.95Å; K110-G112 VanDerWaalsContact C-N 3.34Å; K110-G112 PolarHBondContact O-N 2.79Å; K110-T113 PolarHBondContact O-N 3.38Å; K110-D114 WeakPolarHBondContact O-CB 3.42Å; K110-D114 PolarHBondContact O-N 2.77Å |
| 111 | A | 74.4 | Confident | 71.5 | Confident | 62 Ų | 62 | 104.4 Ų | 104.4 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L107 L115 | L107-A111 WeakPolarHBondContact O-CB 3.41Å; L107-A111 PolarHBondContact O-N 2.69Å; A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.34Å |
| 112 | G | 76.1 | Confident | 72.3 | Confident | 31 Ų | 31 | 105.9 Ų | 105.9 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 K110 V116 | V108-G112 VanDerWaalsContact O-CA 3.27Å; V108-G112 WeakPolarHBondContact O-CA 3.42Å; V108-G112 PolarHBondContact O-N 3.01Å; K110-G112 VanDerWaalsContact C-N 3.34Å; K110-G112 PolarHBondContact O-N 2.79Å; G112-V116 WeakPolarHBondContact O-CB 3.32Å; G112-V116 VanDerWaalsContact O-CG2 3.24Å; G112-V116 WeakPolarHBondContact O-CG2 3.5Å; G112-V116 PolarHBondContact O-N 2.69Å |
| 113 | T | 79.3 | Confident | 72.9 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 60% | 0.601 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 173.7 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | K109 K110 L115 V116 N117 | K109-T113 VanDerWaalsContact O-CB 3.32Å; K109-T113 WeakPolarHBondContact O-CB 3.34Å; K109-T113 PolarHBondContact O-N 3.19Å; K109-T113 PolarHBondContact O-OG1 2.96Å; K110-T113 PolarHBondContact O-N 3.38Å; T113-L115 PolarHBondContact O-N 2.85Å; T113-V116 PolarHBondContact O-N 2.95Å; T113-N117 VanDerWaalsContact O-CB 3.29Å; T113-N117 WeakPolarHBondContact O-CB 3.47Å; T113-N117 PolarHBondContact O-N 3Å |
| 114 | D | 76.8 | Confident | 73.5 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 43% | 0.433 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.7 | -50.6 | 175.7 | -124.7 | -86.6 | 0 | 0 | 0 | 111.1 | K110 N117 F118 | K110-D114 WeakPolarHBondContact O-CB 3.42Å; K110-D114 PolarHBondContact O-N 2.77Å; D114-N117 WeakPolarHBondContact O-CB 3.26Å; D114-N117 PolarHBondContact O-N 3.42Å; D114-F118 WeakPolarHBondContact O-CD2 3.41Å; D114-F118 PolarHBondContact O-N 3.12Å; D114-F118 WeakPolarHBondContact OD1-CE2 3.48Å |
| 115 | L | 81.3 | Confident | 73.3 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | -179.2 | -172.2 | 72.1 | 0 | 0 | 0 | 112.2 | A111 T113 N117 F118 L119 | A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.34Å; T113-L115 PolarHBondContact O-N 2.85Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.84Å; L115-F118 PolarHBondContact O-N 3.12Å; L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 VanDerWaalsContact O-CD1 3.22Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 PolarHBondContact O-N 3.26Å |
| 116 | V | 80.9 | Confident | 73 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.3 | -39.9 | 174.9 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | G112 T113 L119 S120 | G112-V116 WeakPolarHBondContact O-CB 3.32Å; G112-V116 VanDerWaalsContact O-CG2 3.24Å; G112-V116 WeakPolarHBondContact O-CG2 3.5Å; G112-V116 PolarHBondContact O-N 2.69Å; T113-V116 PolarHBondContact O-N 2.95Å; V116-L119 PolarHBondContact O-N 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 2.85Å |
| 117 | N | 80.1 | Confident | 72.7 | Confident | 96 Ų | 96 | 111 Ų | 111 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 177.1 | -156.8 | 43.1 | 0 | 0 | 0 | 111.3 | T113 D114 L115 S120 Y121 | T113-N117 VanDerWaalsContact O-CB 3.29Å; T113-N117 WeakPolarHBondContact O-CB 3.47Å; T113-N117 PolarHBondContact O-N 3Å; D114-N117 WeakPolarHBondContact O-CB 3.26Å; D114-N117 PolarHBondContact O-N 3.42Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.84Å; N117-S120 WeakPolarHBondContact O-CB 3.35Å; N117-S120 PolarHBondContact O-N 3.15Å; N117-Y121 WeakPolarHBondContact O-CD2 3.41Å; N117-Y121 PolarHBondContact O-N 2.97Å |
| 118 | F | 83.2 | Confident | 72 | Confident | 137 Ų | 137 | 112.5 Ų | 112.5 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.6 | -41.6 | 172.8 | -89.9 | -70.6 | 0 | 0 | 0 | 113 | D114 L115 S120 Y121 F122 | D114-F118 WeakPolarHBondContact O-CD2 3.41Å; D114-F118 PolarHBondContact O-N 3.12Å; D114-F118 WeakPolarHBondContact OD1-CE2 3.48Å; L115-F118 PolarHBondContact O-N 3.12Å; F118-S120 VanDerWaalsContact C-N 3.35Å; F118-Y121 PolarHBondContact O-N 3.23Å; F118-F122 PolarHBondContact O-N 2.83Å |
| 119 | L | 81.5 | Confident | 71 | Confident | 105 Ų | 105 | 112.8 Ų | 112.8 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -37.7 | 173.8 | -95.8 | 82.2 | 0 | 0 | 0 | 111.7 | L115 V116 F122 V123 | L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 VanDerWaalsContact O-CD1 3.22Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 PolarHBondContact O-N 3.26Å; V116-L119 PolarHBondContact O-N 3.31Å; L119-F122 PolarHBondContact O-N 3.34Å; L119-F122 VanDerWaalsContact O-N 3.15Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3.38Å |
| 120 | S | 75.8 | Confident | 70.2 | Confident | 63 Ų | 63 | 110.6 Ų | 110.6 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.8 | -48.6 | 175.8 | -144.9 | 0 | 0 | 0 | 0 | 110.5 | V116 N117 F118 F122 V123 E124 | V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 2.85Å; N117-S120 WeakPolarHBondContact O-CB 3.35Å; N117-S120 PolarHBondContact O-N 3.15Å; F118-S120 VanDerWaalsContact C-N 3.35Å; S120-F122 VanDerWaalsContact C-N 3.28Å; S120-F122 PolarHBondContact O-N 3.01Å; S120-V123 PolarHBondContact O-N 3.47Å; S120-E124 VanDerWaalsContact O-CB 3.27Å; S120-E124 WeakPolarHBondContact O-CB 3.45Å; S120-E124 PolarHBondContact O-N 3.5Å |
| 121 | Y | 75.3 | Confident | 69.1 | Low | 143 Ų | 143 | 109.3 Ų | 109.3 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.9 | -40.2 | 171.7 | -91.1 | -73.7 | 0 | 0 | 0 | 112.9 | N117 F118 E124 L125 | N117-Y121 WeakPolarHBondContact O-CD2 3.41Å; N117-Y121 PolarHBondContact O-N 2.97Å; F118-Y121 PolarHBondContact O-N 3.23Å; Y121-E124 PolarHBondContact O-N 3.2Å; Y121-L125 WeakPolarHBondContact O-CB 3.38Å; Y121-L125 VanDerWaalsContact O-CD1 3.24Å; Y121-L125 WeakPolarHBondContact O-CD1 3.45Å; Y121-L125 PolarHBondContact O-N 3.5Å |
| 122 | F | 76.4 | Confident | 67.2 | Low | 147 Ų | 147 | 118.7 Ų | 118.7 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | -179.5 | -160.1 | -94.2 | 0 | 0 | 0 | 113 | F118 L119 S120 R126 | F118-F122 PolarHBondContact O-N 2.83Å; L119-F122 PolarHBondContact O-N 3.34Å; L119-F122 VanDerWaalsContact O-N 3.15Å; S120-F122 VanDerWaalsContact C-N 3.28Å; S120-F122 PolarHBondContact O-N 3.01Å; F122-R126 HydrophobicContact CD1-CG 4.48Å; F122-R126 HydrophobicContact CE1-CG 4.41Å; F122-R126 WeakPolarHBondContact O-CB 3.33Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.24Å; F122-R126 PolarHBondContact O-N 2.88Å; F122-R126 VanDerWaalsContact O-N 3.12Å |
| 123 | V | 75.4 | Confident | 66.7 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L119 S120 R126 T127 | L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3.38Å; S120-V123 PolarHBondContact O-N 3.47Å; V123-R126 CarbonylContact O-C 3.44Å; V123-R126 WeakPolarHBondContact O-CA 3.29Å; V123-R126 WeakPolarHBondContact O-CB 3.48Å; V123-R126 PolarHBondContact O-N 2.88Å; V123-R126 VanDerWaalsContact O-N 3.12Å; V123-T127 WeakPolarHBondContact O-CB 3.24Å; V123-T127 PolarHBondContact O-N 2.91Å; V123-T127 PolarHBondContact O-OG1 3.36Å |
| 124 | E | 68 | Low | 66.1 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.9 | -38.3 | 179.6 | -162.8 | 155.8 | -160.3 | 0 | 0 | 111.9 | S120 Y121 R126 T127 Q128 | S120-E124 VanDerWaalsContact O-CB 3.27Å; S120-E124 WeakPolarHBondContact O-CB 3.45Å; S120-E124 PolarHBondContact O-N 3.5Å; Y121-E124 PolarHBondContact O-N 3.2Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.91Å; E124-T127 CarbonylContact O-C 3.57Å; E124-T127 WeakPolarHBondContact O-CA 3.43Å; E124-T127 PolarHBondContact O-N 2.97Å; E124-Q128 PolarHBondContact O-N 2.85Å |
| 125 | L | 60.1 | Low | 65.5 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 63% | 0.628 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -59.3 | -35.2 | 167 | -104.2 | 87.2 | 0 | 0 | 0 | 112.8 | Y121 T127 | Y121-L125 WeakPolarHBondContact O-CB 3.38Å; Y121-L125 VanDerWaalsContact O-CD1 3.24Å; Y121-L125 WeakPolarHBondContact O-CD1 3.45Å; Y121-L125 PolarHBondContact O-N 3.5Å; L125-T127 VanDerWaalsContact C-N 3.27Å |
| 126 | R | 57.2 | Low | 64.5 | Low | 206 Ų | 206 | 127.7 Ų | 127.7 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -11.6 | 174.9 | -73.6 | -94.8 | -76.9 | -176.1 | -4.7 | 113.2 | F122 V123 E124 | F122-R126 HydrophobicContact CD1-CG 4.48Å; F122-R126 HydrophobicContact CE1-CG 4.41Å; F122-R126 WeakPolarHBondContact O-CB 3.33Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.24Å; F122-R126 PolarHBondContact O-N 2.88Å; F122-R126 VanDerWaalsContact O-N 3.12Å; V123-R126 CarbonylContact O-C 3.44Å; V123-R126 WeakPolarHBondContact O-CA 3.29Å; V123-R126 WeakPolarHBondContact O-CB 3.48Å; V123-R126 PolarHBondContact O-N 2.88Å; V123-R126 VanDerWaalsContact O-N 3.12Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.91Å |
| 127 | T | 56.1 | Low | 63.5 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -18.9 | 179.9 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | V123 E124 L125 P129 | V123-T127 WeakPolarHBondContact O-CB 3.24Å; V123-T127 PolarHBondContact O-N 2.91Å; V123-T127 PolarHBondContact O-OG1 3.36Å; E124-T127 CarbonylContact O-C 3.57Å; E124-T127 WeakPolarHBondContact O-CA 3.43Å; E124-T127 PolarHBondContact O-N 2.97Å; L125-T127 VanDerWaalsContact C-N 3.27Å; T127-P129 VanDerWaalsContact O-CD 3.24Å; T127-P129 WeakPolarHBondContact O-CD 3.41Å |
| 128 | Q | 47.8 | Very low | 62.4 | Low | 146 Ų | 146 | 131.5 Ų | 131.5 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -61.7 | 117.4 | 161.5 | -101.7 | -161.6 | 87.7 | 0 | 0 | 109 | E124 | E124-Q128 PolarHBondContact O-N 2.85Š|
| 129 | P | 48.7 | Very low | 60.9 | Low | 97 Ų | 97 | 131.1 Ų | 131.1 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | trans | -65.6 | 148.9 | 168.5 | 29.1 | -30.9 | 0 | 0 | 0 | 108.3 | T127 T131 | T127-P129 VanDerWaalsContact O-CD 3.24Å; T127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-T131 VanDerWaalsContact C-N 3.3Å; P129-T131 PolarHBondContact O-N 3.1Å | ||
| 130 | A | 52.1 | Low | 59.3 | Low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -64.1 | 97.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q132 | A130-Q132 PolarHBondContact O-N 2.86Å; A130-Q132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | T | 43.8 | Very low | 58 | Low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -63.2 | 112.9 | 174.5 | -50.6 | 0 | 0 | 0 | 0 | 108 | P129 | P129-T131 VanDerWaalsContact C-N 3.3Å; P129-T131 PolarHBondContact O-N 3.1Å | ||
| 132 | Q | 34.9 | Very low | 56.4 | Low | 259 Ų | 259 | 138.6 Ų | 138.6 | 100% | 1.21 | 73% | 0.725 | S | S | * | * | trans | -76.3 | 0 | 174.7 | -153.6 | 178.8 | 111.9 | 0 | 0 | 110.2 | A130 | A130-Q132 PolarHBondContact O-N 2.86Å; A130-Q132 VanDerWaalsContact O-N 3.1Å |
Retrieved 132 of 132 residues in 515.2 ms
(Link to these results)