| 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 | 34.9 | Very low | 39.2 | Very low | 225 Ų | 225 | 146.4 Ų | 146.4 | 100% | 1.108 | 77% | 0.772 | S | S | * | * | 0 | 100 | 0 | -79.6 | 166.7 | 168.3 | 0 | 0 | 108.2 | |||||
| 2 | E | 41.3 | Very low | 39.6 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -139.8 | 143.4 | -13.3 | -101.1 | 94.9 | 157 | 0 | 0 | 109.8 | ||||
| 3 | Q | 41 | Very low | 39.6 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -7.6 | 124.8 | 148 | 176 | -179.3 | 74.6 | 0 | 0 | 117.9 | ||||
| 4 | N | 35.4 | Very low | 39.7 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | -142.8 | 119 | 122.1 | -162.1 | -1.2 | 0 | 0 | 0 | 109.5 | |||||
| 5 | N | 40.4 | Very low | 39.8 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | -98.8 | 113.2 | -178.1 | -64.1 | -35.6 | 0 | 0 | 0 | 108.6 | V7 | N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 3.37Å | ||
| 6 | S | 35.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 91.8 | 164.5 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | E8 | S6-E8 PolarHBondContact O-N 3.47Å; S6-E8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | V | 41.5 | Very low | 40 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 114.4 | 170.6 | 174.5 | 0 | 0 | 0 | 0 | 107.3 | N5 D9 | N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 3.37Å; V7-D9 VanDerWaalsContact C-N 3.28Å; V7-D9 PolarHBondContact O-N 3.37Å | ||
| 8 | E | 36.7 | Very low | 40.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 91.1 | 167 | -63.5 | -176.3 | 139.8 | 0 | 0 | 107.2 | S6 F10 | S6-E8 PolarHBondContact O-N 3.47Å; S6-E8 VanDerWaalsContact O-N 3.15Å; E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 4.22Å; E8-F10 WeakPolarHBondContact O-CD2 3.24Å; E8-F10 PolarHBondContact O-N 3.32Å | ||
| 9 | D | 38.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -74.3 | 99.8 | -179 | -160.9 | -15.8 | 0 | 0 | 0 | 109.3 | V7 S11 | V7-D9 VanDerWaalsContact C-N 3.28Å; V7-D9 PolarHBondContact O-N 3.37Å; D9-S11 PolarHBondContact O-N 2.9Å | ||
| 10 | F | 45.4 | Very low | 40.1 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 70.5 | -177 | -91.5 | -97.1 | 0 | 0 | 0 | 111.7 | E8 L12 | E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 4.22Å; E8-F10 WeakPolarHBondContact O-CD2 3.24Å; E8-F10 PolarHBondContact O-N 3.32Å; F10-L12 HydrophobicContact CD1-CD1 4.21Å; F10-L12 HydrophobicContact CD1-CG 4.31Å; F10-L12 PolarHBondContact O-N 3.07Å | ||
| 11 | S | 40 | Very low | 40.2 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -70.6 | 67.6 | 165.6 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | D9 | D9-S11 PolarHBondContact O-N 2.9Š| ||
| 12 | L | 44.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | -69.2 | 132.3 | 170.1 | -84.1 | 164.9 | 0 | 0 | 0 | 110.4 | F10 | F10-L12 HydrophobicContact CD1-CD1 4.21Å; F10-L12 HydrophobicContact CD1-CG 4.31Å; F10-L12 PolarHBondContact O-N 3.07Å | ||
| 13 | N | 39.9 | Very low | 40.5 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 69.7 | 137.8 | -176 | -42.2 | -76 | 0 | 0 | 0 | 112.6 | ||||
| 14 | V | 40.4 | Very low | 40.4 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | cis | -127.5 | 121.9 | 27 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | S16 | V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 WeakPolarHBondContact CG1-OG 3.23Å; V14-S16 PolarHBondContact O-N 2.9Å | ||
| 15 | F | 42.5 | Very low | 41.1 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | -82.3 | 74.7 | 169.8 | -162.5 | -102.4 | 0 | 0 | 0 | 109.7 | V17 | F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 HydrophobicContact CD1-CG2 3.57Å; F15-V17 HydrophobicContact CE1-CG2 3.67Å; F15-V17 PolarHBondContact O-N 3.35Å | ||
| 16 | S | 39.5 | Very low | 41 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -67 | 93.3 | 174.5 | -79 | 0 | 0 | 0 | 0 | 109.8 | V14 A18 | V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 WeakPolarHBondContact CG1-OG 3.23Å; V14-S16 PolarHBondContact O-N 2.9Å; S16-A18 PolarHBondContact O-N 3.34Å | ||
| 17 | V | 42.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | -66.6 | 89 | 166 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | F15 | F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 HydrophobicContact CD1-CG2 3.57Å; F15-V17 HydrophobicContact CE1-CG2 3.67Å; F15-V17 PolarHBondContact O-N 3.35Å | ||
| 18 | A | 43.8 | Very low | 41.4 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | trans | -55.2 | 128.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | S16 Y20 | S16-A18 PolarHBondContact O-N 3.34Å; A18-Y20 PolarHBondContact O-N 3.18Å | ||
| 19 | P | 41.4 | Very low | 41.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -58.4 | 127.5 | -179.7 | 24.3 | -33.2 | 0 | 0 | 0 | 108.5 | Q21 | P19-Q21 PolarHBondContact O-N 3.32Š| ||
| 20 | Y | 37 | Very low | 41.8 | Very low | 222 Ų | 222 | 135.7 Ų | 135.7 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | trans | -59.7 | 97.3 | -172.7 | -172.4 | -89.9 | 0 | 0 | 0 | 110 | A18 P22 | A18-Y20 PolarHBondContact O-N 3.18Å; Y20-P22 VanDerWaalsContact O-CD 3.31Å; Y20-P22 WeakPolarHBondContact O-CD 3.36Å | ||
| 21 | Q | 42.7 | Very low | 42.1 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 118.1 | -178.1 | -176.8 | 175.8 | -6.4 | 0 | 0 | 107.9 | P19 N23 | P19-Q21 PolarHBondContact O-N 3.32Å; Q21-N23 PolarHBondContact O-N 3Å | ||
| 22 | P | 38 | Very low | 42.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -76.3 | 75.6 | -175.5 | 31.2 | -34.8 | 0 | 0 | 0 | 109.7 | Y20 R24 | Y20-P22 VanDerWaalsContact O-CD 3.31Å; Y20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-R24 VanDerWaalsContact C-N 3.26Å; P22-R24 PolarHBondContact O-N 2.9Å | ||
| 23 | N | 43.6 | Very low | 43.5 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | trans | -71.6 | 83.9 | 174.9 | -174.1 | 16.9 | 0 | 0 | 0 | 109.7 | Q21 | Q21-N23 PolarHBondContact O-N 3Š| ||
| 24 | R | 39.7 | Very low | 44.8 | Very low | 220 Ų | 220 | 126.7 Ų | 126.7 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | trans | -140 | 47.5 | 170 | -157.4 | 175.1 | -174.8 | 152.3 | 4.4 | 111.2 | P22 D26 | P22-R24 VanDerWaalsContact C-N 3.26Å; P22-R24 PolarHBondContact O-N 2.9Å; R24-D26 PolarHBondContact O-N 3.17Å | ||
| 25 | S | 50.2 | Low | 46.2 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -73.8 | 75.5 | 161.6 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 26 | D | 37.5 | Very low | 47.8 | Very low | 140 Ų | 140 | 114.5 Ų | 114.5 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -160.8 | 132.8 | 161.9 | -96.5 | -38 | 0 | 0 | 0 | 108.4 | R24 | R24-D26 PolarHBondContact O-N 3.17Š|
| 27 | V | 42 | Very low | 49.8 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 85% | 0.848 | 63% | 0.633 | S | S | * | * | trans | 65.8 | 52 | -167.4 | -159.6 | 0 | 0 | 0 | 0 | 113.8 | V29 | V27-V29 PolarHBondContact O-N 3.49Š| ||
| 28 | L | 42.8 | Very low | 51.8 | Low | 159 Ų | 159 | 111.6 Ų | 111.6 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | trans | -93.9 | 74.3 | 170.2 | -163.7 | 85 | 0 | 0 | 0 | 111.6 | ||||
| 29 | V | 38 | Very low | 53.8 | Low | 121 Ų | 121 | 110.3 Ų | 110.3 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -108.1 | 96.1 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | V27 D31 | V27-V29 PolarHBondContact O-N 3.49Å; V29-D31 PolarHBondContact O-N 3.25Å |
| 30 | S | 47.2 | Very low | 56 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 58% | 0.58 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 45.4 | 28.2 | 169.1 | -116.9 | 0 | 0 | 0 | 0 | 117.9 | G32 D33 | S30-G32 PolarHBondContact O-N 3.26Å; S30-G32 VanDerWaalsContact O-N 3.14Å; S30-D33 WeakPolarHBondContact CB-OD2 3.23Å; S30-D33 PolarHBondContact O-N 3.13Å; S30-D33 VanDerWaalsContact O-N 3.17Å; S30-D33 PolarHBondContact OG-OD2 3.31Å |
| 31 | D | 51 | Low | 58.5 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.7 | -15.1 | -172.7 | -153.1 | 21.8 | 0 | 0 | 0 | 113.6 | V29 D33 K34 A35 | V29-D31 PolarHBondContact O-N 3.25Å; D31-D33 VanDerWaalsContact C-N 3.32Å; D31-D33 PolarHBondContact O-N 3.36Å; D31-K34 PolarHBondContact O-N 3.45Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 3.22Å; D31-A35 WeakPolarHBondContact O-CB 3.4Å; D31-A35 PolarHBondContact O-N 3.05Å |
| 32 | G | 54.8 | Low | 60.6 | Low | 35 Ų | 35 | 98.6 Ų | 98.6 | 36% | 0.361 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -38.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S30 G36 | S30-G32 PolarHBondContact O-N 3.26Å; S30-G32 VanDerWaalsContact O-N 3.14Å; G32-G36 PolarHBondContact O-N 2.81Å |
| 33 | D | 59.5 | Low | 63.2 | Low | 78 Ų | 78 | 93.2 Ų | 93.2 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 179.8 | -51.8 | -54.7 | 0 | 0 | 0 | 110.9 | S30 D31 G36 A37 | S30-D33 WeakPolarHBondContact CB-OD2 3.23Å; S30-D33 PolarHBondContact O-N 3.13Å; S30-D33 VanDerWaalsContact O-N 3.17Å; S30-D33 PolarHBondContact OG-OD2 3.31Å; D31-D33 VanDerWaalsContact C-N 3.32Å; D31-D33 PolarHBondContact O-N 3.36Å; D33-G36 PolarHBondContact O-N 3.33Å; D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 2.87Å |
| 34 | K | 66.1 | Low | 65.5 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 179.5 | -143.3 | 172.8 | 77.5 | -97.1 | 0 | 111.6 | D31 T38 | D31-K34 PolarHBondContact O-N 3.45Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 3.22Å; K34-T38 PolarHBondContact O-N 3.35Å; K34-T38 PolarHBondContact O-OG1 2.63Å |
| 35 | A | 70.6 | Confident | 68.1 | Low | 46 Ų | 46 | 85.6 Ų | 85.6 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | D31 T38 L39 | D31-A35 WeakPolarHBondContact O-CB 3.4Å; D31-A35 PolarHBondContact O-N 3.05Å; A35-T38 PolarHBondContact O-N 2.74Å; A35-L39 WeakPolarHBondContact O-CG 3.07Å; A35-L39 PolarHBondContact O-N 2.92Å; A35-L39 VanDerWaalsContact O-N 3.13Å |
| 36 | G | 76 | Confident | 70.1 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 12% | 0.124 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G32 D33 T38 L39 L40 | G32-G36 PolarHBondContact O-N 2.81Å; D33-G36 PolarHBondContact O-N 3.33Å; G36-T38 VanDerWaalsContact C-N 3.3Å; G36-T38 PolarHBondContact O-N 2.92Å; G36-L39 PolarHBondContact O-N 3.34Å; G36-L40 PolarHBondContact O-N 3.44Å |
| 37 | A | 81.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 77 Ų | 77 | 49% | 0.488 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D33 L40 F41 | D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 2.87Å; A37-L40 PolarHBondContact O-N 3.35Å; A37-F41 PolarHBondContact O-N 3.16Å |
| 38 | T | 85.4 | Confident | 75.1 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 177.8 | -52 | 0 | 0 | 0 | 0 | 111.5 | K34 A35 G36 F41 S42 | K34-T38 PolarHBondContact O-N 3.35Å; K34-T38 PolarHBondContact O-OG1 2.63Å; A35-T38 PolarHBondContact O-N 2.74Å; G36-T38 VanDerWaalsContact C-N 3.3Å; G36-T38 PolarHBondContact O-N 2.92Å; T38-F41 PolarHBondContact O-N 3.02Å; T38-S42 PolarHBondContact O-N 2.88Å; T38-S42 PolarHBondContact O-OG 3.37Å |
| 39 | L | 85.5 | Confident | 77.4 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 176.6 | -67.6 | 168 | 0 | 0 | 0 | 112.7 | A35 G36 S42 G43 F84 A88 | A35-L39 WeakPolarHBondContact O-CG 3.07Å; A35-L39 PolarHBondContact O-N 2.92Å; A35-L39 VanDerWaalsContact O-N 3.13Å; G36-L39 PolarHBondContact O-N 3.34Å; L39-S42 WeakPolarHBondContact CA-OG 3.43Å; L39-S42 PolarHBondContact O-OG 3.43Å; L39-G43 PolarHBondContact O-N 3.47Å; L39-F84 HydrophobicContact CD2-CD1 3.83Å; L39-F84 HydrophobicContact CD2-CE1 3.87Å; L39-A88 HydrophobicContact CB-CB 3.82Å |
| 40 | L | 86.8 | Confident | 80 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 170.9 | -72.2 | 172.5 | 0 | 0 | 0 | 111 | G36 A37 S42 G43 V44 I85 A88 V89 | G36-L40 PolarHBondContact O-N 3.44Å; A37-L40 PolarHBondContact O-N 3.35Å; L40-S42 PolarHBondContact O-N 2.78Å; L40-G43 PolarHBondContact O-N 3.46Å; L40-V44 WeakPolarHBondContact O-CG2 3.36Å; L40-V44 PolarHBondContact O-N 3.48Å; L40-I85 HydrophobicContact CD2-CG2 4.17Å; L40-A88 HydrophobicContact CD2-CB 3.7Å; L40-A88 HydrophobicContact CG-CB 3.71Å; L40-V89 HydrophobicContact CD2-CG2 3.99Å |
| 41 | F | 88.8 | Confident | 82 | Confident | 157 Ų | 157 | 64.8 Ų | 64.8 | 69% | 0.689 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | -179.9 | -173.8 | -98.9 | 0 | 0 | 0 | 112.2 | A37 T38 V44 F45 | A37-F41 PolarHBondContact O-N 3.16Å; T38-F41 PolarHBondContact O-N 3.02Å; F41-V44 PolarHBondContact O-N 2.98Å; F41-F45 WeakPolarHBondContact O-CB 3.37Å; F41-F45 PolarHBondContact O-N 3.16Å |
| 42 | S | 88.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | T38 L39 L40 F45 L46 | T38-S42 PolarHBondContact O-N 2.88Å; T38-S42 PolarHBondContact O-OG 3.37Å; L39-S42 WeakPolarHBondContact CA-OG 3.43Å; L39-S42 PolarHBondContact O-OG 3.43Å; L40-S42 PolarHBondContact O-N 2.78Å; S42-F45 PolarHBondContact O-N 2.86Å; S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 VanDerWaalsContact O-CD1 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.49Å; S42-L46 PolarHBondContact O-N 3.47Å |
| 43 | G | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L39 L40 G47 G81 | L39-G43 PolarHBondContact O-N 3.47Å; L40-G43 PolarHBondContact O-N 3.46Å; G43-G47 PolarHBondContact O-N 2.81Å; G43-G81 WeakPolarHBondContact CA-O 3.48Å; G43-G81 WeakPolarHBondContact O-CA 3.46Å |
| 44 | V | 92.6 | Very high | 86.6 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L40 F41 G47 L48 I85 | L40-V44 WeakPolarHBondContact O-CG2 3.36Å; L40-V44 PolarHBondContact O-N 3.48Å; F41-V44 PolarHBondContact O-N 2.98Å; V44-G47 PolarHBondContact O-N 3.34Å; V44-L48 HydrophobicContact CG1-CD1 4.05Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 2.99Å; V44-I85 HydrophobicContact CG2-CD1 3.99Å; V44-I85 HydrophobicContact CG2-CG1 4.39Å |
| 45 | F | 93.4 | Very high | 87.4 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.5 | -173 | -97.3 | 0 | 0 | 0 | 112 | F41 S42 G47 L48 V49 | F41-F45 WeakPolarHBondContact O-CB 3.37Å; F41-F45 PolarHBondContact O-N 3.16Å; S42-F45 PolarHBondContact O-N 2.86Å; F45-G47 VanDerWaalsContact C-N 3.3Å; F45-G47 PolarHBondContact O-N 3.17Å; F45-L48 PolarHBondContact O-N 3.42Å; F45-V49 HydrophobicContact CD1-CG2 4.21Å; F45-V49 HydrophobicContact CE1-CG2 3.86Å; F45-V49 HydrophobicContact CE2-CG2 4.49Å; F45-V49 HydrophobicContact CZ-CG2 4.01Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.14Å |
| 46 | L | 92.1 | Very high | 87.9 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 173.6 | -94.4 | 69 | 0 | 0 | 0 | 111.9 | S42 G50 V80 F84 | S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 VanDerWaalsContact O-CD1 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.49Å; S42-L46 PolarHBondContact O-N 3.47Å; L46-G50 PolarHBondContact O-N 2.58Å; L46-V80 HydrophobicContact CD2-CB 4.35Å; L46-V80 HydrophobicContact CD2-CG1 3.67Å; L46-F84 HydrophobicContact CD2-CD2 4.2Å; L46-F84 HydrophobicContact CD2-CE2 4.29Å |
| 47 | G | 92.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G43 V44 F45 G50 I51 | G43-G47 PolarHBondContact O-N 2.81Å; V44-G47 PolarHBondContact O-N 3.34Å; F45-G47 VanDerWaalsContact C-N 3.3Å; F45-G47 PolarHBondContact O-N 3.17Å; G47-G50 PolarHBondContact O-N 3.01Å; G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.49Å; G47-I51 WeakPolarHBondContact O-CG1 3.39Å; G47-I51 PolarHBondContact O-N 2.77Å |
| 48 | L | 92.6 | Very high | 87.5 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.7 | -73.4 | 170.8 | 0 | 0 | 0 | 112.3 | V44 F45 T52 | V44-L48 HydrophobicContact CG1-CD1 4.05Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 2.99Å; F45-L48 PolarHBondContact O-N 3.42Å; L48-T52 WeakPolarHBondContact O-CB 3.46Å; L48-T52 PolarHBondContact O-N 3.33Å; L48-T52 PolarHBondContact O-OG1 2.84Å |
| 49 | V | 91.2 | Very high | 86.6 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | F45 T52 F53 L77 | F45-V49 HydrophobicContact CD1-CG2 4.21Å; F45-V49 HydrophobicContact CE1-CG2 3.86Å; F45-V49 HydrophobicContact CE2-CG2 4.49Å; F45-V49 HydrophobicContact CZ-CG2 4.01Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.14Å; V49-T52 PolarHBondContact O-N 3.21Å; V49-F53 WeakPolarHBondContact O-CB 3.24Å; V49-F53 PolarHBondContact O-N 3.03Å; V49-L77 HydrophobicContact CG1-CD1 4.17Å |
| 50 | G | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L46 G47 F53 T54 | L46-G50 PolarHBondContact O-N 2.58Å; G47-G50 PolarHBondContact O-N 3.01Å; G50-F53 PolarHBondContact O-N 3.35Å; G50-T54 WeakPolarHBondContact O-CB 3.36Å; G50-T54 PolarHBondContact O-N 2.92Å; G50-T54 PolarHBondContact O-OG1 3.37Å |
| 51 | I | 89.7 | Confident | 84.1 | Confident | 86 Ų | 86 | 76 Ų | 76 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 172.4 | -69.8 | 162.6 | 0 | 0 | 0 | 110.1 | G47 F53 T54 V55 L78 | G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.49Å; G47-I51 WeakPolarHBondContact O-CG1 3.39Å; G47-I51 PolarHBondContact O-N 2.77Å; I51-F53 VanDerWaalsContact C-N 3.28Å; I51-F53 PolarHBondContact O-N 3.23Å; I51-T54 PolarHBondContact O-N 2.92Å; I51-T54 VanDerWaalsContact O-N 3.13Å; I51-V55 HydrophobicContact CG2-CG2 4.28Å; I51-V55 WeakPolarHBondContact O-CB 3.44Å; I51-V55 WeakPolarHBondContact O-CG2 3.42Å; I51-V55 PolarHBondContact O-N 2.92Å; I51-L78 HydrophobicContact CG1-CD1 4.14Å; I51-L78 HydrophobicContact CG1-CG 4.46Å |
| 52 | T | 88.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | L48 V49 M56 | L48-T52 WeakPolarHBondContact O-CB 3.46Å; L48-T52 PolarHBondContact O-N 3.33Å; L48-T52 PolarHBondContact O-OG1 2.84Å; V49-T52 PolarHBondContact O-N 3.21Å; T52-M56 WeakPolarHBondContact O-CB 3.46Å; T52-M56 PolarHBondContact O-N 3.46Å |
| 53 | F | 85.9 | Confident | 80.9 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 31% | 0.311 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.3 | -32.4 | 178.3 | -141.4 | -95 | 0 | 0 | 0 | 112.4 | V49 G50 I51 G57 T70 L73 | V49-F53 WeakPolarHBondContact O-CB 3.24Å; V49-F53 PolarHBondContact O-N 3.03Å; G50-F53 PolarHBondContact O-N 3.35Å; I51-F53 VanDerWaalsContact C-N 3.28Å; I51-F53 PolarHBondContact O-N 3.23Å; F53-G57 WeakPolarHBondContact O-CA 3.36Å; F53-G57 PolarHBondContact O-N 2.88Å; F53-T70 VanDerWaalsContact CD1-O 3.31Å; F53-T70 WeakPolarHBondContact CD1-O 3.47Å; F53-T70 HydrophobicContact CE1-CG2 4.36Å; F53-T70 VanDerWaalsContact CE1-O 3.23Å; F53-T70 WeakPolarHBondContact CE1-O 3.45Å; F53-T70 HydrophobicContact CZ-CG2 4.48Å; F53-L73 HydrophobicContact CD1-CB 4.03Å; F53-L73 HydrophobicContact CD1-CD2 4.26Å; F53-L73 HydrophobicContact CD1-CG 4.38Å; F53-L73 HydrophobicContact CE1-CB 3.88Å; F53-L73 HydrophobicContact CE1-CD2 3.7Å; F53-L73 HydrophobicContact CE1-CG 4.21Å; F53-L73 HydrophobicContact CZ-CD2 3.89Å |
| 54 | T | 86.8 | Confident | 79.2 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 17% | 0.172 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.3 | -46.1 | 173.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | G50 I51 G57 W58 G74 | G50-T54 WeakPolarHBondContact O-CB 3.36Å; G50-T54 PolarHBondContact O-N 2.92Å; G50-T54 PolarHBondContact O-OG1 3.37Å; I51-T54 PolarHBondContact O-N 2.92Å; I51-T54 VanDerWaalsContact O-N 3.13Å; T54-G57 CarbonylContact O-C 3.59Å; T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 2.87Å; T54-W58 HydrophobicContact CG2-CE3 4.32Å; T54-W58 WeakPolarHBondContact O-CB 3.47Å; T54-W58 PolarHBondContact O-N 3.49Å; T54-G74 VanDerWaalsContact OG1-CA 3.27Å; T54-G74 WeakPolarHBondContact OG1-CA 3.37Å |
| 55 | V | 84.7 | Confident | 77.4 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | 178.6 | 171 | 0 | 0 | 0 | 0 | 111.1 | I51 G57 W58 I59 | I51-V55 HydrophobicContact CG2-CG2 4.28Å; I51-V55 WeakPolarHBondContact O-CB 3.44Å; I51-V55 WeakPolarHBondContact O-CG2 3.42Å; I51-V55 PolarHBondContact O-N 2.92Å; V55-G57 PolarHBondContact O-N 3.25Å; V55-W58 PolarHBondContact O-N 3.37Å; V55-I59 HydrophobicContact CG1-CD1 3.61Å; V55-I59 HydrophobicContact CG1-CG1 4.41Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 3.01Å |
| 56 | M | 79.8 | Confident | 75.5 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.9 | -30.5 | 172.4 | -168.4 | 176.5 | -62.8 | 0 | 0 | 111.8 | T52 W58 K60 | T52-M56 WeakPolarHBondContact O-CB 3.46Å; T52-M56 PolarHBondContact O-N 3.46Å; M56-W58 VanDerWaalsContact C-N 3.27Å; M56-W58 PolarHBondContact O-N 3.01Å; M56-K60 WeakPolarHBondContact O-CB 3.32Å; M56-K60 PolarHBondContact O-N 3.43Å |
| 57 | G | 75.6 | Confident | 73.7 | Confident | 7 Ų | 7 | 89.9 Ų | 89.9 | 7% | 0.072 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -77.9 | 0.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F53 T54 V55 Y61 | F53-G57 WeakPolarHBondContact O-CA 3.36Å; F53-G57 PolarHBondContact O-N 2.88Å; T54-G57 CarbonylContact O-C 3.59Å; T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 2.87Å; V55-G57 PolarHBondContact O-N 3.25Å; G57-Y61 WeakPolarHBondContact O-CD2 3.43Å; G57-Y61 WeakPolarHBondContact O-CE2 3.16Å |
| 58 | W | 72.8 | Confident | 72.4 | Confident | 194 Ų | 194 | 96 Ų | 96 | 74% | 0.735 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -110.9 | -47.2 | 176.4 | -150 | -69 | 0 | 0 | 0 | 110.5 | T54 V55 M56 K60 | T54-W58 HydrophobicContact CG2-CE3 4.32Å; T54-W58 WeakPolarHBondContact O-CB 3.47Å; T54-W58 PolarHBondContact O-N 3.49Å; V55-W58 PolarHBondContact O-N 3.37Å; M56-W58 VanDerWaalsContact C-N 3.27Å; M56-W58 PolarHBondContact O-N 3.01Å; W58-K60 PolarHBondContact O-N 3.44Å |
| 59 | I | 67.9 | Low | 71.2 | Confident | 137 Ų | 137 | 101.6 Ų | 101.6 | 70% | 0.703 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70 | -32.3 | -178.3 | -55.6 | 162.1 | 0 | 0 | 0 | 111.7 | V55 Y61 | V55-I59 HydrophobicContact CG1-CD1 3.61Å; V55-I59 HydrophobicContact CG1-CG1 4.41Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 3.01Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 2.9Å |
| 60 | K | 62.2 | Low | 70.1 | Confident | 152 Ų | 152 | 101.3 Ų | 101.3 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7 | -172.7 | -160.4 | -179.3 | 171.7 | -175.8 | 0 | 114.3 | M56 W58 | M56-K60 WeakPolarHBondContact O-CB 3.32Å; M56-K60 PolarHBondContact O-N 3.43Å; W58-K60 PolarHBondContact O-N 3.44Å |
| 61 | Y | 58.2 | Low | 69.1 | Low | 46 Ų | 46 | 105.1 Ų | 105.1 | 18% | 0.18 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 6.3 | -161.7 | -88.6 | -112.2 | 0 | 0 | 0 | 115.8 | G57 I59 G63 L67 T70 Q71 | G57-Y61 WeakPolarHBondContact O-CD2 3.43Å; G57-Y61 WeakPolarHBondContact O-CE2 3.16Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 2.9Å; Y61-G63 PolarHBondContact O-N 3.37Å; Y61-L67 HydrophobicContact CE1-CB 4.08Å; Y61-L67 VanDerWaalsContact OH-CB 3.28Å; Y61-L67 WeakPolarHBondContact OH-CB 3.45Å; Y61-L67 PolarHBondContact OH-O 3.24Å; Y61-T70 PolarHBondContact OH-OG1 2.76Å; Y61-Q71 HydrophobicContact CE1-CB 3.8Å; Y61-Q71 HydrophobicContact CE1-CG 4.04Å; Y61-Q71 WeakPolarHBondContact OH-CB 3.39Å; Y61-Q71 PolarHBondContact OH-N 2.86Å; Y61-Q71 VanDerWaalsContact OH-N 3.14Å |
| 62 | D | 56.1 | Low | 68.7 | Low | 173 Ų | 173 | 106 Ų | 106 | 93% | 0.925 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -75.1 | 43.3 | -178.6 | -154.4 | 30.5 | 0 | 0 | 0 | 113.9 | ||
| 63 | G | 53.5 | Low | 68.4 | Low | 69 Ų | 69 | 105 Ų | 105 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 160.4 | -4.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | Y61 | Y61-G63 PolarHBondContact O-N 3.37Š|
| 64 | I | 54.8 | Low | 68.5 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 59% | 0.59 | 51% | 0.512 | S | S | * | . | trans | -131.1 | 100.9 | -176.2 | -53.8 | -179.5 | 0 | 0 | 0 | 112.4 | H66 | I64-H66 HydrophobicContact CG2-CB 3.94Å; I64-H66 PolarHBondContact O-N 3.26Å; I64-H66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | T | 54.9 | Low | 68.6 | Low | 136 Ų | 136 | 103.4 Ų | 103.4 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | trans | -68.1 | -2.2 | 179.8 | 50.7 | 0 | 0 | 0 | 0 | 115.3 | L67 | T65-L67 PolarHBondContact O-N 3.13Å; T65-L67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | H | 53.2 | Low | 68.9 | Low | 171 Ų | 171 | 104.3 Ų | 104.3 | 79% | 0.792 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 15.2 | -171.2 | -151.6 | -61.6 | 0 | 0 | 0 | 114.3 | I64 | I64-H66 HydrophobicContact CG2-CB 3.94Å; I64-H66 PolarHBondContact O-N 3.26Å; I64-H66 VanDerWaalsContact O-N 3.09Å |
| 67 | L | 55.6 | Low | 69.4 | Low | 61 Ų | 61 | 101 Ų | 101 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 8 | -166.3 | -73.5 | 176.1 | 0 | 0 | 0 | 115.8 | Y61 T65 W69 T70 Q71 | Y61-L67 HydrophobicContact CE1-CB 4.08Å; Y61-L67 VanDerWaalsContact OH-CB 3.28Å; Y61-L67 WeakPolarHBondContact OH-CB 3.45Å; Y61-L67 PolarHBondContact OH-O 3.24Å; T65-L67 PolarHBondContact O-N 3.13Å; T65-L67 VanDerWaalsContact O-N 3.16Å; L67-W69 PolarHBondContact O-N 3.33Å; L67-T70 HydrophobicContact CD2-CG2 4.49Å; L67-T70 WeakPolarHBondContact O-CA 3.48Å; L67-T70 PolarHBondContact O-N 2.97Å; L67-T70 PolarHBondContact O-OG1 2.76Å; L67-Q71 PolarHBondContact O-N 3.14Å |
| 68 | E | 65.6 | Low | 70.1 | Confident | 139 Ų | 139 | 103.6 Ų | 103.6 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -42.6 | -40.2 | 179.7 | -61.9 | -179.9 | 122.3 | 0 | 0 | 114.2 | T70 Q71 L72 | E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 3.33Å; E68-Q71 WeakPolarHBondContact O-CB 3.17Å; E68-Q71 PolarHBondContact O-N 3.32Å; E68-Q71 VanDerWaalsContact O-N 3.13Å; E68-L72 WeakPolarHBondContact O-CB 3.34Å; E68-L72 WeakPolarHBondContact O-CG 3.39Å; E68-L72 PolarHBondContact O-N 3.01Å |
| 69 | W | 65.8 | Low | 71 | Confident | 220 Ų | 220 | 97.8 Ų | 97.8 | 83% | 0.833 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -34.1 | 176.6 | -114.7 | 92.1 | 0 | 0 | 0 | 114.2 | L67 L73 | L67-W69 PolarHBondContact O-N 3.33Å; W69-L73 PolarHBondContact O-N 2.83Å |
| 70 | T | 68.6 | Low | 72.2 | Confident | 50 Ų | 50 | 94 Ų | 94 | 31% | 0.307 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -82.4 | -33.3 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | F53 Y61 L67 E68 L73 | F53-T70 VanDerWaalsContact CD1-O 3.31Å; F53-T70 WeakPolarHBondContact CD1-O 3.47Å; F53-T70 HydrophobicContact CE1-CG2 4.36Å; F53-T70 VanDerWaalsContact CE1-O 3.23Å; F53-T70 WeakPolarHBondContact CE1-O 3.45Å; F53-T70 HydrophobicContact CZ-CG2 4.48Å; Y61-T70 PolarHBondContact OH-OG1 2.76Å; L67-T70 HydrophobicContact CD2-CG2 4.49Å; L67-T70 WeakPolarHBondContact O-CA 3.48Å; L67-T70 PolarHBondContact O-N 2.97Å; L67-T70 PolarHBondContact O-OG1 2.76Å; E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 3.33Å; T70-L73 PolarHBondContact O-N 3.26Å |
| 71 | Q | 71.4 | Confident | 73.6 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.1 | -157.5 | 173.6 | 5.8 | 0 | 0 | 111.2 | Y61 L67 E68 L73 G74 P75 | Y61-Q71 HydrophobicContact CE1-CB 3.8Å; Y61-Q71 HydrophobicContact CE1-CG 4.04Å; Y61-Q71 WeakPolarHBondContact OH-CB 3.39Å; Y61-Q71 PolarHBondContact OH-N 2.86Å; Y61-Q71 VanDerWaalsContact OH-N 3.14Å; L67-Q71 PolarHBondContact O-N 3.14Å; E68-Q71 WeakPolarHBondContact O-CB 3.17Å; E68-Q71 PolarHBondContact O-N 3.32Å; E68-Q71 VanDerWaalsContact O-N 3.13Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.21Å; Q71-G74 PolarHBondContact O-N 3.3Å; Q71-P75 WeakPolarHBondContact O-CD 3.33Å |
| 72 | L | 80.7 | Confident | 75.2 | Confident | 105 Ų | 105 | 87.6 Ų | 87.6 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 176.3 | -75.6 | 163.7 | 0 | 0 | 0 | 113.1 | E68 G74 P75 I76 | E68-L72 WeakPolarHBondContact O-CB 3.34Å; E68-L72 WeakPolarHBondContact O-CG 3.39Å; E68-L72 PolarHBondContact O-N 3.01Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.44Å; L72-P75 WeakPolarHBondContact O-CD 3.41Å; L72-I76 HydrophobicContact CB-CD1 4.24Å; L72-I76 WeakPolarHBondContact O-CB 3.39Å; L72-I76 WeakPolarHBondContact O-CD1 3.46Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 3.45Å; L72-I76 VanDerWaalsContact O-N 3.07Å |
| 73 | L | 83.1 | Confident | 76.9 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -32.2 | -178 | -169 | 65.9 | 0 | 0 | 0 | 112.5 | F53 W69 T70 Q71 L77 | F53-L73 HydrophobicContact CD1-CB 4.03Å; F53-L73 HydrophobicContact CD1-CD2 4.26Å; F53-L73 HydrophobicContact CD1-CG 4.38Å; F53-L73 HydrophobicContact CE1-CB 3.88Å; F53-L73 HydrophobicContact CE1-CD2 3.7Å; F53-L73 HydrophobicContact CE1-CG 4.21Å; F53-L73 HydrophobicContact CZ-CD2 3.89Å; W69-L73 PolarHBondContact O-N 2.83Å; T70-L73 PolarHBondContact O-N 3.26Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.21Å; L73-L77 HydrophobicContact CD1-CD1 4.43Å; L73-L77 HydrophobicContact CD1-CG 4.31Å; L73-L77 HydrophobicContact CD2-CD1 4.42Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 HydrophobicContact CG-CG 4.24Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.25Å |
| 74 | G | 87.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.9 | -62.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T54 Q71 L72 I76 L77 L78 | T54-G74 VanDerWaalsContact OG1-CA 3.27Å; T54-G74 WeakPolarHBondContact OG1-CA 3.37Å; Q71-G74 PolarHBondContact O-N 3.3Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.44Å; G74-I76 VanDerWaalsContact C-N 3.29Å; G74-I76 PolarHBondContact O-N 2.84Å; G74-L77 PolarHBondContact O-N 3.03Å; G74-L78 WeakPolarHBondContact O-CB 3.22Å; G74-L78 PolarHBondContact O-N 3.45Å |
| 75 | P | 87.8 | Confident | 80.3 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -33.4 | 174.7 | -28.1 | 37.2 | 0 | 0 | 0 | 114.3 | Q71 L72 S79 | Q71-P75 WeakPolarHBondContact O-CD 3.33Å; L72-P75 WeakPolarHBondContact O-CD 3.41Å; P75-S79 VanDerWaalsContact O-CB 3.25Å; P75-S79 WeakPolarHBondContact O-CB 3.4Å; P75-S79 PolarHBondContact O-N 3.35Å |
| 76 | I | 91 | Very high | 81.9 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 48% | 0.482 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 174.6 | -70.2 | 166.4 | 0 | 0 | 0 | 110.6 | L72 G74 L78 S79 V80 | L72-I76 HydrophobicContact CB-CD1 4.24Å; L72-I76 WeakPolarHBondContact O-CB 3.39Å; L72-I76 WeakPolarHBondContact O-CD1 3.46Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 3.45Å; L72-I76 VanDerWaalsContact O-N 3.07Å; G74-I76 VanDerWaalsContact C-N 3.29Å; G74-I76 PolarHBondContact O-N 2.84Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 2.85Å; I76-S79 PolarHBondContact O-N 2.94Å; I76-V80 WeakPolarHBondContact O-CG2 3.3Å; I76-V80 PolarHBondContact O-N 2.92Å |
| 77 | L | 89.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 177.3 | -72.4 | 172.8 | 0 | 0 | 0 | 112.2 | V49 L73 G74 G81 | V49-L77 HydrophobicContact CG1-CD1 4.17Å; L73-L77 HydrophobicContact CD1-CD1 4.43Å; L73-L77 HydrophobicContact CD1-CG 4.31Å; L73-L77 HydrophobicContact CD2-CD1 4.42Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 HydrophobicContact CG-CG 4.24Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.25Å; G74-L77 PolarHBondContact O-N 3.03Å; L77-G81 PolarHBondContact O-N 3.03Å |
| 78 | L | 91.1 | Very high | 84.9 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 175.1 | -161.1 | 170.2 | 0 | 0 | 0 | 110.8 | I51 G74 I76 V80 G81 V82 | I51-L78 HydrophobicContact CG1-CD1 4.14Å; I51-L78 HydrophobicContact CG1-CG 4.46Å; G74-L78 WeakPolarHBondContact O-CB 3.22Å; G74-L78 PolarHBondContact O-N 3.45Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 2.85Å; L78-V80 PolarHBondContact O-N 3.35Å; L78-G81 PolarHBondContact O-N 3.29Å; L78-V82 HydrophobicContact CD2-CG2 3.8Å; L78-V82 WeakPolarHBondContact O-CB 3.5Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.33Å |
| 79 | S | 91.1 | Very high | 85.8 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | P75 I76 T83 | P75-S79 VanDerWaalsContact O-CB 3.25Å; P75-S79 WeakPolarHBondContact O-CB 3.4Å; P75-S79 PolarHBondContact O-N 3.35Å; I76-S79 PolarHBondContact O-N 2.94Å; S79-T83 WeakPolarHBondContact O-CB 3.36Å; S79-T83 WeakPolarHBondContact O-CG2 3.42Å; S79-T83 PolarHBondContact O-N 3.49Å; S79-T83 PolarHBondContact O-OG1 2.86Å |
| 80 | V | 92.9 | Very high | 86.3 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L46 I76 L78 T83 F84 | L46-V80 HydrophobicContact CD2-CB 4.35Å; L46-V80 HydrophobicContact CD2-CG1 3.67Å; I76-V80 WeakPolarHBondContact O-CG2 3.3Å; I76-V80 PolarHBondContact O-N 2.92Å; L78-V80 PolarHBondContact O-N 3.35Å; V80-T83 WeakPolarHBondContact CA-OG1 3.34Å; V80-T83 PolarHBondContact O-N 3.29Å; V80-T83 PolarHBondContact O-OG1 2.85Å; V80-F84 HydrophobicContact CG1-CD2 3.76Å; V80-F84 HydrophobicContact CG1-CE2 3.66Å; V80-F84 VanDerWaalsContact O-CD2 3.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.26Å; V80-F84 PolarHBondContact O-N 2.94Å |
| 81 | G | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G43 L77 L78 F84 I85 | G43-G81 WeakPolarHBondContact CA-O 3.48Å; G43-G81 WeakPolarHBondContact O-CA 3.46Å; L77-G81 PolarHBondContact O-N 3.03Å; L78-G81 PolarHBondContact O-N 3.29Å; G81-F84 WeakPolarHBondContact O-CB 3.44Å; G81-F84 PolarHBondContact O-N 2.89Å; G81-I85 WeakPolarHBondContact O-CG1 3.28Å; G81-I85 PolarHBondContact O-N 2.8Å |
| 82 | V | 91.6 | Very high | 86.6 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.7 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | L78 I85 L86 | L78-V82 HydrophobicContact CD2-CG2 3.8Å; L78-V82 WeakPolarHBondContact O-CB 3.5Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.33Å; V82-I85 PolarHBondContact O-N 2.93Å; V82-L86 HydrophobicContact CG1-CD1 3.88Å; V82-L86 HydrophobicContact CG1-CG 4.25Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 2.91Å |
| 83 | T | 90.9 | Very high | 86 | Confident | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 175.4 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | S79 V80 L86 I87 | S79-T83 WeakPolarHBondContact O-CB 3.36Å; S79-T83 WeakPolarHBondContact O-CG2 3.42Å; S79-T83 PolarHBondContact O-N 3.49Å; S79-T83 PolarHBondContact O-OG1 2.86Å; V80-T83 WeakPolarHBondContact CA-OG1 3.34Å; V80-T83 PolarHBondContact O-N 3.29Å; V80-T83 PolarHBondContact O-OG1 2.85Å; T83-L86 PolarHBondContact O-N 3.27Å; T83-I87 WeakPolarHBondContact O-CB 3.48Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å; T83-I87 WeakPolarHBondContact O-CG1 3.21Å; T83-I87 PolarHBondContact O-N 2.84Å |
| 84 | F | 90.5 | Very high | 85.1 | Confident | 73 Ų | 73 | 71 Ų | 71 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 168.5 | -90.5 | -70.7 | 0 | 0 | 0 | 112.5 | L39 L46 V80 G81 I87 A88 | L39-F84 HydrophobicContact CD2-CD1 3.83Å; L39-F84 HydrophobicContact CD2-CE1 3.87Å; L46-F84 HydrophobicContact CD2-CD2 4.2Å; L46-F84 HydrophobicContact CD2-CE2 4.29Å; V80-F84 HydrophobicContact CG1-CD2 3.76Å; V80-F84 HydrophobicContact CG1-CE2 3.66Å; V80-F84 VanDerWaalsContact O-CD2 3.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.26Å; V80-F84 PolarHBondContact O-N 2.94Å; G81-F84 WeakPolarHBondContact O-CB 3.44Å; G81-F84 PolarHBondContact O-N 2.89Å; F84-I87 PolarHBondContact O-N 3.46Å; F84-A88 WeakPolarHBondContact O-CB 3.47Å; F84-A88 PolarHBondContact O-N 3.23Å |
| 85 | I | 89.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 27% | 0.267 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 176 | -65.3 | 167.1 | 0 | 0 | 0 | 110.2 | L40 V44 G81 V82 I87 A88 V89 | L40-I85 HydrophobicContact CD2-CG2 4.17Å; V44-I85 HydrophobicContact CG2-CD1 3.99Å; V44-I85 HydrophobicContact CG2-CG1 4.39Å; G81-I85 WeakPolarHBondContact O-CG1 3.28Å; G81-I85 PolarHBondContact O-N 2.8Å; V82-I85 PolarHBondContact O-N 2.93Å; I85-I87 PolarHBondContact O-N 3Å; I85-A88 PolarHBondContact O-N 3.35Å; I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.72Å |
| 86 | L | 89.3 | Confident | 82.1 | Confident | 95 Ų | 95 | 74 Ų | 74 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 178.9 | -72 | 173.1 | 0 | 0 | 0 | 112.1 | V82 T83 A88 V89 C90 | V82-L86 HydrophobicContact CG1-CD1 3.88Å; V82-L86 HydrophobicContact CG1-CG 4.25Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 2.91Å; T83-L86 PolarHBondContact O-N 3.27Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.94Å; L86-V89 PolarHBondContact O-N 3.13Å; L86-C90 WeakPolarHBondContact O-CB 3.45Å; L86-C90 PolarHBondContact O-N 2.83Å; L86-C90 PolarHBondContact O-SG 3.44Å |
| 87 | I | 87.2 | Confident | 80.2 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.9 | -72.2 | 163.6 | 0 | 0 | 0 | 110.7 | T83 F84 I85 K91 | T83-I87 WeakPolarHBondContact O-CB 3.48Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å; T83-I87 WeakPolarHBondContact O-CG1 3.21Å; T83-I87 PolarHBondContact O-N 2.84Å; F84-I87 PolarHBondContact O-N 3.46Å; I85-I87 PolarHBondContact O-N 3Å; I87-K91 WeakPolarHBondContact O-CG 3.36Å; I87-K91 PolarHBondContact O-N 2.84Å |
| 88 | A | 85.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 2% | 0.017 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.9 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L39 L40 F84 I85 L86 K91 F92 | L39-A88 HydrophobicContact CB-CB 3.82Å; L40-A88 HydrophobicContact CD2-CB 3.7Å; L40-A88 HydrophobicContact CG-CB 3.71Å; F84-A88 WeakPolarHBondContact O-CB 3.47Å; F84-A88 PolarHBondContact O-N 3.23Å; I85-A88 PolarHBondContact O-N 3.35Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.94Å; A88-K91 PolarHBondContact O-N 2.81Å; A88-F92 WeakPolarHBondContact O-CB 3.27Å; A88-F92 PolarHBondContact O-N 3.3Å |
| 89 | V | 82.6 | Confident | 76.6 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L40 I85 L86 F92 H93 | L40-V89 HydrophobicContact CD2-CG2 3.99Å; I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.72Å; L86-V89 PolarHBondContact O-N 3.13Å; V89-F92 CarbonylContact O-C 3.52Å; V89-F92 PolarHBondContact O-N 3.33Å; V89-H93 WeakPolarHBondContact O-CB 3.43Å; V89-H93 PolarHBondContact O-N 2.8Å |
| 90 | C | 77.7 | Confident | 74.6 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 174.4 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | L86 H93 M94 | L86-C90 WeakPolarHBondContact O-CB 3.45Å; L86-C90 PolarHBondContact O-N 2.83Å; L86-C90 PolarHBondContact O-SG 3.44Å; C90-H93 PolarHBondContact O-N 2.95Å; C90-M94 WeakPolarHBondContact O-CB 3.01Å; C90-M94 WeakPolarHBondContact O-CG 3.33Å; C90-M94 PolarHBondContact O-N 3.43Å |
| 91 | K | 77.9 | Confident | 72.5 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 169 | -80 | -168.8 | 79.7 | 76 | 0 | 110.9 | I87 A88 H93 M94 L95 | I87-K91 WeakPolarHBondContact O-CG 3.36Å; I87-K91 PolarHBondContact O-N 2.84Å; A88-K91 PolarHBondContact O-N 2.81Å; K91-H93 PolarHBondContact O-N 2.83Å; K91-M94 PolarHBondContact O-N 3.19Å; K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.26Å; K91-L95 PolarHBondContact O-N 3.13Å |
| 92 | F | 68.1 | Low | 70.3 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 179.5 | -169.6 | -99.3 | 0 | 0 | 0 | 112 | A88 V89 L95 T96 | A88-F92 WeakPolarHBondContact O-CB 3.27Å; A88-F92 PolarHBondContact O-N 3.3Å; V89-F92 CarbonylContact O-C 3.52Å; V89-F92 PolarHBondContact O-N 3.33Å; F92-L95 CarbonylContact O-C 3.22Å; F92-L95 WeakPolarHBondContact O-CA 3.13Å; F92-L95 WeakPolarHBondContact O-CB 3.35Å; F92-L95 PolarHBondContact O-N 3.39Å; F92-L95 VanDerWaalsContact O-N 3.16Å; F92-T96 HydrophobicContact CD1-CG2 4.19Å; F92-T96 HydrophobicContact CE1-CG2 3.86Å; F92-T96 HydrophobicContact CZ-CG2 4.28Å; F92-T96 PolarHBondContact O-N 2.83Å; F92-T96 PolarHBondContact O-OG1 3.48Å |
| 93 | H | 67.9 | Low | 68.1 | Low | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.3 | -34.9 | 177.5 | -165.3 | -67.6 | 0 | 0 | 0 | 112.7 | V89 C90 K91 L95 T96 C97 | V89-H93 WeakPolarHBondContact O-CB 3.43Å; V89-H93 PolarHBondContact O-N 2.8Å; C90-H93 PolarHBondContact O-N 2.95Å; K91-H93 PolarHBondContact O-N 2.83Å; H93-L95 VanDerWaalsContact C-N 3.31Å; H93-T96 WeakPolarHBondContact CA-OG1 3.33Å; H93-T96 PolarHBondContact O-OG1 3Å; H93-C97 PolarHBondContact O-N 3.18Å; H93-C97 VanDerWaalsContact O-N 3.16Å; H93-C97 PolarHBondContact O-SG 2.83Å; H93-C97 VanDerWaalsContact O-SG 3.35Å |
| 94 | M | 64.3 | Low | 65.9 | Low | 145 Ų | 145 | 97.3 Ų | 97.3 | 71% | 0.714 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 168.9 | -72.5 | -165.5 | 81.8 | 0 | 0 | 111.6 | C90 K91 K98 | C90-M94 WeakPolarHBondContact O-CB 3.01Å; C90-M94 WeakPolarHBondContact O-CG 3.33Å; C90-M94 PolarHBondContact O-N 3.43Å; K91-M94 PolarHBondContact O-N 3.19Å; M94-K98 WeakPolarHBondContact O-CB 3.25Å; M94-K98 PolarHBondContact O-N 3.23Å |
| 95 | L | 55 | Low | 63.8 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 175.6 | -73.9 | 167.4 | 0 | 0 | 0 | 112 | K91 F92 H93 K98 S99 | K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.26Å; K91-L95 PolarHBondContact O-N 3.13Å; F92-L95 CarbonylContact O-C 3.22Å; F92-L95 WeakPolarHBondContact O-CA 3.13Å; F92-L95 WeakPolarHBondContact O-CB 3.35Å; F92-L95 PolarHBondContact O-N 3.39Å; F92-L95 VanDerWaalsContact O-N 3.16Å; H93-L95 VanDerWaalsContact C-N 3.31Å; L95-K98 PolarHBondContact O-N 2.66Å; L95-S99 WeakPolarHBondContact O-CA 3.38Å; L95-S99 WeakPolarHBondContact O-CB 3.08Å; L95-S99 PolarHBondContact O-N 3.43Å |
| 96 | T | 58.2 | Low | 61.6 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | F92 H93 K98 C100 | F92-T96 HydrophobicContact CD1-CG2 4.19Å; F92-T96 HydrophobicContact CE1-CG2 3.86Å; F92-T96 HydrophobicContact CZ-CG2 4.28Å; F92-T96 PolarHBondContact O-N 2.83Å; F92-T96 PolarHBondContact O-OG1 3.48Å; H93-T96 WeakPolarHBondContact CA-OG1 3.33Å; H93-T96 PolarHBondContact O-OG1 3Å; T96-K98 PolarHBondContact O-N 3.01Å; T96-C100 PolarHBondContact O-N 2.94Å; T96-C100 PolarHBondContact O-SG 2.96Å |
| 97 | C | 51.3 | Low | 59.2 | Low | 81 Ų | 81 | 99.9 Ų | 99.9 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 174.6 | -67 | 0 | 0 | 0 | 0 | 113.3 | H93 | H93-C97 PolarHBondContact O-N 3.18Å; H93-C97 VanDerWaalsContact O-N 3.16Å; H93-C97 PolarHBondContact O-SG 2.83Å; H93-C97 VanDerWaalsContact O-SG 3.35Å |
| 98 | K | 54.3 | Low | 57.1 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 65% | 0.648 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77 | -40.4 | 176.1 | -105.9 | -164.7 | 167.5 | -157.1 | 0 | 113.4 | M94 L95 T96 C100 K101 E102 | M94-K98 WeakPolarHBondContact O-CB 3.25Å; M94-K98 PolarHBondContact O-N 3.23Å; L95-K98 PolarHBondContact O-N 2.66Å; T96-K98 PolarHBondContact O-N 3.01Å; K98-C100 VanDerWaalsContact C-N 3.26Å; K98-C100 PolarHBondContact O-N 3.24Å; K98-K101 WeakPolarHBondContact O-CA 3.36Å; K98-K101 WeakPolarHBondContact O-CB 3.42Å; K98-K101 PolarHBondContact O-N 3.34Å; K98-E102 PolarHBondContact O-N 2.9Å |
| 99 | S | 50.6 | Low | 55.1 | Low | 70 Ų | 70 | 107 Ų | 107 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.6 | -33.6 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | L95 K101 E102 R103 | L95-S99 WeakPolarHBondContact O-CA 3.38Å; L95-S99 WeakPolarHBondContact O-CB 3.08Å; L95-S99 PolarHBondContact O-N 3.43Å; S99-K101 VanDerWaalsContact C-N 3.26Å; S99-K101 PolarHBondContact O-N 2.88Å; S99-E102 PolarHBondContact O-N 3.33Å; S99-R103 VanDerWaalsContact O-CB 3.23Å; S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.07Å |
| 100 | C | 48.8 | Very low | 53.4 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.2 | -34.3 | 169.8 | -70 | 0 | 0 | 0 | 0 | 113.4 | T96 K98 | T96-C100 PolarHBondContact O-N 2.94Å; T96-C100 PolarHBondContact O-SG 2.96Å; K98-C100 VanDerWaalsContact C-N 3.26Å; K98-C100 PolarHBondContact O-N 3.24Å |
| 101 | K | 48.3 | Very low | 51.4 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 61% | 0.609 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.5 | -43.3 | 174.5 | 174.8 | 172.3 | 175 | 170.3 | 0 | 112.1 | K98 S99 R103 D104 E105 | K98-K101 WeakPolarHBondContact O-CA 3.36Å; K98-K101 WeakPolarHBondContact O-CB 3.42Å; K98-K101 PolarHBondContact O-N 3.34Å; S99-K101 VanDerWaalsContact C-N 3.26Å; S99-K101 PolarHBondContact O-N 2.88Å; K101-R103 VanDerWaalsContact C-N 3.26Å; K101-R103 PolarHBondContact O-N 3.35Å; K101-D104 WeakPolarHBondContact O-CB 3.47Å; K101-D104 PolarHBondContact O-N 3.4Å; K101-E105 PolarHBondContact O-N 2.9Å; K101-E105 VanDerWaalsContact O-N 3.17Å |
| 102 | E | 48 | Very low | 49.4 | Very low | 107 Ų | 107 | 118 Ų | 118 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.8 | -30.9 | -178.9 | -161.3 | 169.3 | 128.4 | 0 | 0 | 111.8 | K98 S99 D104 E105 N106 | K98-E102 PolarHBondContact O-N 2.9Å; S99-E102 PolarHBondContact O-N 3.33Å; E102-D104 VanDerWaalsContact C-N 3.34Å; E102-E105 WeakPolarHBondContact CA-OE1 3.38Å; E102-N106 WeakPolarHBondContact O-CB 3.44Å; E102-N106 PolarHBondContact O-N 3.04Å; E102-N106 VanDerWaalsContact O-N 3.13Å; E102-N106 PolarHBondContact O-ND2 3.21Å |
| 103 | R | 44.3 | Very low | 47.9 | Very low | 186 Ų | 186 | 120.4 Ų | 120.4 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.1 | -25 | 172.6 | -159.6 | -175.6 | 79.9 | 91.7 | 4.7 | 113.3 | S99 K101 A107 | S99-R103 VanDerWaalsContact O-CB 3.23Å; S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.07Å; K101-R103 VanDerWaalsContact C-N 3.26Å; K101-R103 PolarHBondContact O-N 3.35Å; R103-A107 VanDerWaalsContact O-CB 3.23Å; R103-A107 WeakPolarHBondContact O-CB 3.19Å; R103-A107 PolarHBondContact O-N 2.83Å |
| 104 | D | 44.4 | Very low | 46.6 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.3 | -47.6 | 177.4 | -130.5 | 22.1 | 0 | 0 | 0 | 109.9 | K101 E102 N106 A107 S108 | K101-D104 WeakPolarHBondContact O-CB 3.47Å; K101-D104 PolarHBondContact O-N 3.4Å; E102-D104 VanDerWaalsContact C-N 3.34Å; D104-N106 PolarHBondContact O-N 2.91Å; D104-A107 PolarHBondContact O-N 2.86Å; D104-S108 PolarHBondContact O-N 3.29Å; D104-S108 PolarHBondContact O-OG 3.47Å |
| 105 | E | 47.4 | Very low | 45.3 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.5 | -29 | -180 | 66 | -156.8 | 167.4 | 0 | 0 | 113.6 | K101 E102 S108 | K101-E105 PolarHBondContact O-N 2.9Å; K101-E105 VanDerWaalsContact O-N 3.17Å; E102-E105 WeakPolarHBondContact CA-OE1 3.38Å; E105-S108 PolarHBondContact O-OG 3.42Å |
| 106 | N | 41.6 | Very low | 44.7 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -12.7 | 172 | -73.6 | -85.5 | 0 | 0 | 0 | 114.3 | E102 D104 | E102-N106 WeakPolarHBondContact O-CB 3.44Å; E102-N106 PolarHBondContact O-N 3.04Å; E102-N106 VanDerWaalsContact O-N 3.13Å; E102-N106 PolarHBondContact O-ND2 3.21Å; D104-N106 PolarHBondContact O-N 2.91Å |
| 107 | A | 39.1 | Very low | 44.3 | Very low | 59 Ų | 59 | 125.6 Ų | 125.6 | 49% | 0.488 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -29.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R103 D104 D109 | R103-A107 VanDerWaalsContact O-CB 3.23Å; R103-A107 WeakPolarHBondContact O-CB 3.19Å; R103-A107 PolarHBondContact O-N 2.83Å; D104-A107 PolarHBondContact O-N 2.86Å; A107-D109 VanDerWaalsContact C-N 3.25Å; A107-D109 PolarHBondContact O-N 3.06Å |
| 108 | S | 44.6 | Very low | 43.8 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -3.1 | -174.7 | 42.3 | 0 | 0 | 0 | 0 | 116.8 | D104 E105 | D104-S108 PolarHBondContact O-N 3.29Å; D104-S108 PolarHBondContact O-OG 3.47Å; E105-S108 PolarHBondContact O-OG 3.42Å |
| 109 | D | 42.3 | Very low | 43 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 8.4 | -178.1 | -146.4 | 16.9 | 0 | 0 | 0 | 113.6 | A107 | A107-D109 VanDerWaalsContact C-N 3.25Å; A107-D109 PolarHBondContact O-N 3.06Å |
| 110 | I | 46.3 | Very low | 42.6 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | -128.9 | 53.8 | 173.9 | -42.2 | -176.1 | 0 | 0 | 0 | 111.1 | ||||
| 111 | D | 35.7 | Very low | 42.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -129.1 | 65.2 | 162.8 | -119.1 | -35.5 | 0 | 0 | 0 | 110.7 | M113 | D111-M113 PolarHBondContact O-N 3.47Š| ||
| 112 | Q | 36.6 | Very low | 42.4 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -74.9 | 111.4 | 178.6 | 177.8 | 173.4 | 96.3 | 0 | 0 | 111.2 | ||||
| 113 | M | 36 | Very low | 42.3 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 64.7 | 73.3 | 144.2 | -169.4 | 177.4 | 159.4 | 0 | 0 | 117.2 | D111 | D111-M113 PolarHBondContact O-N 3.47Š| ||
| 114 | A | 41.8 | Very low | 43 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -143 | 123 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 115 | S | 37.5 | Very low | 43.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 55.9 | 84.6 | 152.6 | -160.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 116 | G | 40.9 | Very low | 43.4 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -152.8 | 84.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S118 | G116-S118 PolarHBondContact O-N 3.32Š| ||
| 117 | Q | 50.4 | Low | 43.5 | Very low | 201 Ų | 201 | 136 Ų | 136 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 118.3 | -177 | -69 | -177.8 | -93.2 | 0 | 0 | 112.3 | ||||
| 118 | S | 39.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -149 | 156.3 | 151.7 | -163.3 | 0 | 0 | 0 | 0 | 111.6 | G116 | G116-S118 PolarHBondContact O-N 3.32Š| ||
| 119 | F | 38.3 | Very low | 44 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 74% | 0.737 | 81% | 0.808 | S | S | * | * | trans | -98.3 | 129.6 | -156.3 | 165.7 | -88.7 | 0 | 0 | 0 | 113.5 | ||||
| 120 | V | 41.3 | Very low | 44 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 54% | 0.539 | 81% | 0.805 | S | S | . | * | trans | 29.1 | 117.3 | 142.6 | -179.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 121 | F | 44.1 | Very low | 43.9 | Very low | 187 Ų | 187 | 145 Ų | 145 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | -149 | 134.5 | 106.4 | -125.6 | -84.2 | 0 | 0 | 0 | 113.2 | G123 | F121-G123 PolarHBondContact O-N 2.88Š| |||
| 122 | T | 50.7 | Low | 44.8 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 117.1 | 172.2 | 26.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 123 | G | 45.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -162.2 | 109.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | F121 | F121-G123 PolarHBondContact O-N 2.88Š| ||
| 124 | I | 59.6 | Low | 46.2 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 146.4 | -177.2 | 49 | 169.8 | 0 | 0 | 0 | 112.6 | ||||
| 125 | N | 49.1 | Very low | 46.4 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 109.8 | 174.1 | -41.6 | -79.8 | 0 | 0 | 0 | 116.9 | ||||
| 126 | Q | 50 | Low | 47.1 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | -154.7 | 155.5 | 118.4 | -107 | -172.2 | -1.4 | 0 | 0 | 110.5 | |||||
| 127 | P | 43.3 | Very low | 47.5 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 165.1 | -171.2 | 35.2 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 128 | I | 53.7 | Low | 47.2 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.6 | -179.9 | -61.9 | 159.5 | 0 | 0 | 0 | 111.6 | F130 | I128-F130 HydrophobicContact CG2-CD2 3.97Š|
| 129 | T | 40.6 | Very low | 47.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 118.9 | 169.1 | 30.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 130 | F | 42 | Very low | 48.1 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -132.4 | 134.9 | 162.6 | -108.3 | -100 | 0 | 0 | 0 | 110.3 | I128 | I128-F130 HydrophobicContact CG2-CD2 3.97Š| ||
| 131 | H | 44.4 | Very low | 48.3 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 28.9 | 97 | 166 | -76.7 | -103.5 | 0 | 0 | 0 | 119.2 | A133 | H131-A133 PolarHBondContact O-N 3.36Š|
| 132 | G | 55.2 | Low | 48.6 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 94% | 0.938 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 88.1 | -0.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 133 | A | 50.1 | Low | 48.1 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | -131.1 | 81.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H131 V135 | H131-A133 PolarHBondContact O-N 3.36Å; A133-V135 PolarHBondContact O-N 3.13Å | ||
| 134 | T | 52.5 | Low | 48.1 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -76.4 | 82.7 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | V136 | T134-V136 PolarHBondContact O-N 3.14Š| ||
| 135 | V | 45.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 105.8 | 162.1 | -179 | 0 | 0 | 0 | 0 | 108.1 | A133 Q137 | A133-V135 PolarHBondContact O-N 3.13Å; V135-Q137 VanDerWaalsContact C-N 3.27Å; V135-Q137 PolarHBondContact O-N 3.25Å | ||
| 136 | V | 51.6 | Low | 46.6 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 84.3 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | T134 Y138 | T134-V136 PolarHBondContact O-N 3.14Å; V136-Y138 PolarHBondContact O-N 2.78Å | ||
| 137 | Q | 49.4 | Very low | 46.2 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -74.4 | 82.6 | 171.3 | -169.3 | 165.6 | 26.3 | 0 | 0 | 109.3 | V135 I139 | V135-Q137 VanDerWaalsContact C-N 3.27Å; V135-Q137 PolarHBondContact O-N 3.25Å; Q137-I139 HydrophobicContact CG-CG1 4.49Å; Q137-I139 PolarHBondContact O-N 2.81Å | ||
| 138 | Y | 45.1 | Very low | 45.8 | Very low | 185 Ų | 185 | 134 Ų | 134 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 104.4 | 173.7 | -174.8 | -95.9 | 0 | 0 | 0 | 109.5 | V136 P140 | V136-Y138 PolarHBondContact O-N 2.78Å; Y138-P140 HydrophobicContact CD1-CB 4.49Å; Y138-P140 HydrophobicContact CE1-CB 4.07Å; Y138-P140 VanDerWaalsContact O-CD 3.24Å; Y138-P140 WeakPolarHBondContact O-CD 3.48Å | ||
| 139 | I | 50.4 | Low | 45 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -88.1 | 106.3 | 172 | -58.5 | 174.1 | 0 | 0 | 0 | 107 | Q137 | Q137-I139 HydrophobicContact CG-CG1 4.49Å; Q137-I139 PolarHBondContact O-N 2.81Å | ||
| 140 | P | 45.6 | Very low | 44.9 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | trans | -68 | 139.8 | 176.1 | 28.5 | -34.3 | 0 | 0 | 0 | 110.5 | Y138 | Y138-P140 HydrophobicContact CD1-CB 4.49Å; Y138-P140 HydrophobicContact CE1-CB 4.07Å; Y138-P140 VanDerWaalsContact O-CD 3.24Å; Y138-P140 WeakPolarHBondContact O-CD 3.48Å | ||
| 141 | P | 47.2 | Very low | 44.7 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 135.2 | 178.7 | 27.1 | -33.9 | 0 | 0 | 0 | 111.5 | Y143 | P141-Y143 PolarHBondContact O-N 3.28Š| ||
| 142 | P | 50.4 | Low | 44.4 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -90 | 97.9 | -172.3 | 34 | -34.4 | 0 | 0 | 0 | 112.8 | ||||
| 143 | Y | 39.6 | Very low | 44.5 | Very low | 213 Ų | 213 | 131.1 Ų | 131.1 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -137.2 | 164.7 | 174.8 | -80.2 | -62.4 | 0 | 0 | 0 | 112.3 | P141 | P141-Y143 PolarHBondContact O-N 3.28Š| ||
| 144 | P | 43.9 | Very low | 43.7 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -93.8 | -179.8 | -134.1 | 37.4 | -39.2 | 0 | 0 | 0 | 115.4 | ||||
| 145 | A | 42.5 | Very low | 43.2 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | -57 | 139.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 146 | Q | 35.5 | Very low | 42.8 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | -157.5 | 163.9 | 103.7 | -137.5 | 161.7 | -86.6 | 0 | 0 | 112.3 | |||||
| 147 | E | 41 | Very low | 42.3 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 10.4 | 142.4 | 162.9 | 66.3 | -129.2 | 151.2 | 0 | 0 | 124.3 | ||||
| 148 | G | 35.9 | Very low | 42 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 147.7 | 65.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 149 | I | 37.5 | Very low | 41.7 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 47.4 | 95.9 | 139.1 | -55.5 | 177.4 | 0 | 0 | 0 | 120.7 | ||||
| 150 | A | 38.6 | Very low | 41.4 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | 77.6 | 156.7 | 119.3 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 151 | V | 36.1 | Very low | 40.9 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | 103.1 | 126.9 | 157.3 | -167.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 152 | N | 39.5 | Very low | 40.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -58 | 167.1 | -170.3 | -88.9 | -68.9 | 0 | 0 | 0 | 120 | ||||
| 153 | P | 56.5 | Low | 39.9 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -89.5 | 171.9 | 170 | 39 | -36.1 | 0 | 0 | 0 | 114 | ||||
| 154 | A | 33.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -144.2 | 158.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 155 | Y | 40.9 | Very low | 39.4 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -104.5 | 176.4 | -173.9 | -83.4 | -108.5 | 0 | 0 | 0 | 113.3 | ||||
| 156 | F | 37.4 | Very low | 39 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | 112.8 | 153.2 | 146.1 | -59.7 | -66.3 | 0 | 0 | 0 | 119.8 | ||||
| 157 | H | 41.8 | Very low | 38.9 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -129.7 | 146.7 | -161.5 | -146.1 | -62.9 | 0 | 0 | 0 | 111.2 | ||||
| 158 | P | 43.1 | Very low | 38.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | trans | -116.8 | -169.9 | 164.1 | 12.9 | 10.4 | 0 | 0 | 0 | 113.2 | ||||
| 159 | V | 39.5 | Very low | 38.5 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | -172.8 | 161.6 | -103 | 149.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 160 | L | 42.8 | Very low | 38.4 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 73.2 | 152.5 | 176.2 | -108.6 | 71.9 | 0 | 0 | 0 | 115.9 | ||||
| 161 | S | 36.4 | Very low | 38.5 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | cis | -151.8 | -173.8 | 0.4 | -151.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 162 | C | 32.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | cis | -156.8 | -174.2 | 7.9 | -160.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 163 | C | 42.2 | Very low | 39.4 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -125.7 | 158.8 | -175.9 | -58.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 164 | G | 33.3 | Very low | 38.5 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -159.1 | 131.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 165 | A | 40.3 | Very low | 39 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 96% | 0.959 | 80% | 0.802 | S | S | * | * | trans | -128 | 142.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 166 | G | 33.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -164 | 91 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 167 | S | 34.3 | Very low | 39.5 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 155.6 | 167.6 | -158.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 168 | S | 35.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -156.2 | 156.7 | 22.8 | -167.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 169 | G | 33.9 | Very low | 39.4 | Very low | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 173.2 | -157.3 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 170 | A | 35 | Very low | 40 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 68.2 | 82 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 171 | T | 40.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -70.4 | -179.6 | 150.6 | 15.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 172 | P | 47.6 | Very low | 40.5 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | cis | -137.5 | 167.4 | -12.7 | 30.8 | -9.7 | 0 | 0 | 0 | 116.9 | ||||
| 173 | I | 45.3 | Very low | 41.3 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 60.5 | 123.2 | 142 | -68.4 | 165.1 | 0 | 0 | 0 | 118.9 | ||||
| 174 | P | 39.4 | Very low | 41.9 | Very low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -138.2 | 146.7 | 101.7 | 37.8 | -26.5 | 0 | 0 | 0 | 115.8 | |||||
| 175 | T | 43.5 | Very low | 42.6 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -87.8 | 155 | 150.4 | 47.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 176 | P | 45 | Very low | 43.3 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -148.9 | 176.5 | 94.2 | 39.8 | -22.8 | 0 | 0 | 0 | 115.1 | |||||
| 177 | D | 43.1 | Very low | 44 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -74.3 | 148.8 | 178.7 | -50.2 | -94.2 | 0 | 0 | 0 | 114.7 | ||||
| 178 | S | 39.7 | Very low | 44.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -164.6 | 137 | 152.3 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 179 | P | 44.3 | Very low | 45.5 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -77.9 | 131.8 | -179.2 | 31.1 | -34.3 | 0 | 0 | 0 | 112.6 | F181 | P179-F181 PolarHBondContact O-N 2.85Š| ||
| 180 | Q | 52 | Low | 46.7 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -82.4 | 110.6 | 177.4 | -65.3 | -174.6 | 0.4 | 0 | 0 | 111.4 | ||||
| 181 | F | 39.4 | Very low | 47.6 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 135.7 | 163 | -77.1 | -95.2 | 0 | 0 | 0 | 109.8 | P179 P183 | P179-F181 PolarHBondContact O-N 2.85Å; F181-P183 WeakPolarHBondContact O-CD 3.23Å | ||
| 182 | C | 49.9 | Very low | 48.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -102.3 | 110.5 | 178.2 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | A184 | C182-A184 PolarHBondContact O-N 3.37Š| ||
| 183 | P | 48.5 | Very low | 48.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -82.2 | 103.2 | 173.9 | 31.7 | -31.3 | 0 | 0 | 0 | 109.9 | F181 | F181-P183 WeakPolarHBondContact O-CD 3.23Š| ||
| 184 | A | 55.4 | Low | 48.6 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | -95.4 | 128.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C182 | C182-A184 PolarHBondContact O-N 3.37Š| ||
| 185 | Y | 48.7 | Very low | 48.9 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | 70.4 | 93.3 | 176.4 | -55.8 | -78.8 | 0 | 0 | 0 | 117.3 | ||||
| 186 | S | 54.4 | Low | 49.3 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 140.3 | 138.6 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 187 | L | 49.2 | Very low | 49.3 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -126.8 | 83.9 | 169.3 | -169.9 | 78 | 0 | 0 | 0 | 108.8 | N189 | L187-N189 PolarHBondContact O-N 2.82Å; L187-N189 VanDerWaalsContact O-N 3.13Å | ||
| 188 | D | 52.8 | Low | 49.2 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -62.4 | 111.8 | 174.1 | -66 | -73.3 | 0 | 0 | 0 | 109.7 | P190 | D188-P190 WeakPolarHBondContact O-CD 3.47Š| ||
| 189 | N | 47.8 | Very low | 49.3 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 54% | 0.535 | 78% | 0.777 | S | S | . | * | trans | -100.4 | 110.1 | 179.3 | -179.5 | 10.8 | 0 | 0 | 0 | 109.9 | L187 A191 | L187-N189 PolarHBondContact O-N 2.82Å; L187-N189 VanDerWaalsContact O-N 3.13Å; N189-A191 PolarHBondContact O-N 3.09Å; N189-A191 VanDerWaalsContact OD1-CB 3.28Å; N189-A191 WeakPolarHBondContact OD1-CB 3.28Å; N189-A191 PolarHBondContact OD1-N 3.16Å | ||
| 190 | P | 58 | Low | 48.8 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 8.4 | -177.9 | 32 | -36.8 | 0 | 0 | 0 | 114.4 | D188 F192 | D188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-F192 PolarHBondContact O-N 3.3Å |
| 191 | A | 54.5 | Low | 48.2 | Very low | 69 Ų | 69 | 146.6 Ų | 146.6 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 5.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N189 | N189-A191 PolarHBondContact O-N 3.09Å; N189-A191 VanDerWaalsContact OD1-CB 3.28Å; N189-A191 WeakPolarHBondContact OD1-CB 3.28Å; N189-A191 PolarHBondContact OD1-N 3.16Å |
| 192 | F | 55.8 | Low | 48.9 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -136.8 | 58.2 | -176 | -67.9 | -78.3 | 0 | 0 | 0 | 111.5 | P190 | P190-F192 PolarHBondContact O-N 3.3Š|
| 193 | T | 54.2 | Low | 48.7 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -147.8 | 58 | -179.2 | -32.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 194 | E | 45.4 | Very low | 48.6 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -149.4 | 79.6 | 163.7 | -163 | 168.9 | 126.4 | 0 | 0 | 105.1 | ||||
| 195 | D | 45.8 | Very low | 47.7 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | 74.2 | 126.4 | 85.8 | -160.3 | 24.3 | 0 | 0 | 0 | 112 | |||||
| 196 | E | 50.7 | Low | 47.3 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -118.8 | 103.7 | -155.6 | -66.2 | -177.3 | -139.6 | 0 | 0 | 112.6 | ||||
| 197 | D | 46 | Very low | 46.5 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -155.5 | 164.4 | 163.7 | -150.3 | -8.7 | 0 | 0 | 0 | 113.7 | ||||
| 198 | Y | 40 | Very low | 46.2 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 75.8 | 104.6 | 177.9 | -64.9 | -84.7 | 0 | 0 | 0 | 118.5 | ||||
| 199 | A | 42.8 | Very low | 45.5 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -84.3 | 151 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 200 | T | 34.6 | Very low | 45.5 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -162.9 | 154.1 | 147.2 | -79.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 201 | Y | 38.9 | Very low | 44.6 | Very low | 220 Ų | 220 | 156.2 Ų | 156.2 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 155.3 | -175.7 | -66.4 | -89.5 | 0 | 0 | 0 | 114.4 | ||||
| 202 | P | 53.1 | Low | 44.1 | Very low | 118 Ų | 118 | 158.8 Ų | 158.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 158.1 | -177.7 | 35.8 | -36.9 | 0 | 0 | 0 | 113.7 | ||||
| 203 | P | 45.4 | Very low | 43.2 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -117.8 | 155.2 | 149.1 | 37.1 | -27.9 | 0 | 0 | 0 | 112.4 | ||||
| 204 | E | 46.7 | Very low | 42.5 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -68.8 | 149.4 | 165 | -58.7 | 156.1 | 107.6 | 0 | 0 | 110.4 | ||||
| 205 | D | 36.7 | Very low | 42.2 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | -175.7 | 146.2 | 110.7 | -155.2 | 5.2 | 0 | 0 | 0 | 114.2 | |||||
| 206 | T | 40 | Very low | 42 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | trans | 1.2 | 121.9 | 153.4 | -56.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 207 | R | 37.7 | Very low | 41.5 | Very low | 238 Ų | 238 | 152.2 Ų | 152.2 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | -151.8 | 133 | 115.5 | -134.7 | 176 | -167.5 | 82.4 | 1.4 | 116.2 | |||||
| 208 | T | 43.5 | Very low | 41.3 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 144.2 | 170.9 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 209 | Q | 39.1 | Very low | 41.8 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -142.8 | 119.1 | 146.2 | -171.4 | 150.6 | 83.7 | 0 | 0 | 109.8 | ||||
| 210 | R | 46.4 | Very low | 42.1 | Very low | 204 Ų | 204 | 155 Ų | 155 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -83 | 152 | 167.5 | -97.1 | -179.4 | 161.3 | 91.3 | -2.4 | 109.7 | D212 | R210-D212 WeakPolarHBondContact CD-OD1 3.45Å; R210-D212 WeakPolarHBondContact CD-OD2 3.44Å; R210-D212 IonicContact NE-OD1 3.14Å; R210-D212 PolarHBondContact NE-OD1 2.76Å; R210-D212 VanDerWaalsContact NE-OD1 3.14Å | ||
| 211 | S | 38.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -148.5 | 95.6 | 148.4 | 57.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 212 | D | 45.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 66% | 0.658 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 142.3 | -179.5 | -37.2 | -105.8 | 0 | 0 | 0 | 110.3 | R210 | R210-D212 WeakPolarHBondContact CD-OD1 3.45Å; R210-D212 WeakPolarHBondContact CD-OD2 3.44Å; R210-D212 IonicContact NE-OD1 3.14Å; R210-D212 PolarHBondContact NE-OD1 2.76Å; R210-D212 VanDerWaalsContact NE-OD1 3.14Å | ||
| 213 | D | 35.6 | Very low | 42.6 | Very low | 157 Ų | 157 | 156.9 Ų | 156.9 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -151.7 | 162.4 | 145.4 | -153.5 | 0.5 | 0 | 0 | 0 | 110.6 | ||||
| 214 | S | 40.1 | Very low | 42.7 | Very low | 94 Ų | 94 | 157.8 Ų | 157.8 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | trans | -58.9 | 149.4 | -158.3 | 58.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 215 | S | 39.1 | Very low | 42.6 | Very low | 114 Ų | 114 | 160 Ų | 160 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -137.9 | 132.4 | 147.6 | -67.8 | 0 | 0 | 0 | 0 | 107.7 | E217 | S215-E217 PolarHBondContact O-N 2.95Š| ||
| 216 | D | 40.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -69.5 | 119.2 | -175.1 | -60.6 | -74.7 | 0 | 0 | 0 | 111.6 | ||||
| 217 | E | 41 | Very low | 43.8 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 135.6 | 165.9 | -69.8 | -156 | 104.6 | 0 | 0 | 110.9 | S215 E219 | S215-E217 PolarHBondContact O-N 2.95Å; E217-E219 PolarHBondContact O-N 2.8Å | ||
| 218 | P | 41.2 | Very low | 44.4 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 110.9 | 164.1 | 31 | -30.2 | 0 | 0 | 0 | 110.3 | E220 | P218-E220 PolarHBondContact O-N 2.78Š| ||
| 219 | E | 51.8 | Low | 45.3 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 83.9 | 174.7 | -66.3 | -176.1 | 112 | 0 | 0 | 112.3 | E217 | E217-E219 PolarHBondContact O-N 2.8Š| ||
| 220 | E | 47.6 | Very low | 46.2 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -148.7 | 55.2 | 171.9 | -143.7 | 169.9 | -128 | 0 | 0 | 114.7 | P218 | P218-E220 PolarHBondContact O-N 2.78Š| ||
| 221 | L | 37.5 | Very low | 47.4 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -149.5 | 32.5 | 163.4 | -128.6 | 173.3 | 0 | 0 | 0 | 114.4 | E223 | L221-E223 PolarHBondContact O-N 3.04Š| ||
| 222 | L | 49.4 | Very low | 49.1 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -90.5 | 67.2 | 171.9 | -91.2 | 175.6 | 0 | 0 | 0 | 111.9 | ||||
| 223 | E | 50.3 | Low | 50.7 | Low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -149.8 | 136.8 | 162.4 | -119.5 | 164.6 | -156 | 0 | 0 | 112.2 | L221 | L221-E223 PolarHBondContact O-N 3.04Š|
| 224 | D | 47.1 | Very low | 52.7 | Low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 55.6 | 61 | 173.9 | -152.4 | 24.6 | 0 | 0 | 0 | 119.7 | ||||
| 225 | Y | 45.8 | Very low | 54.4 | Low | 237 Ų | 237 | 147.8 Ų | 147.8 | 93% | 0.929 | 77% | 0.768 | S | S | * | * | trans | -103.9 | 85.5 | 137.5 | -109.9 | -86.4 | 0 | 0 | 0 | 109.4 | C227 | Y225-C227 PolarHBondContact O-N 2.95Š| ||
| 226 | A | 50.5 | Low | 56.4 | Low | 55 Ų | 55 | 148.5 Ų | 148.5 | 46% | 0.455 | 76% | 0.758 | S | S | . | * | trans | -56.1 | 124.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H228 | A226-H228 VanDerWaalsContact C-N 3.27Å; A226-H228 PolarHBondContact O-N 2.83Å | ||
| 227 | C | 50.4 | Low | 58.1 | Low | 125 Ų | 125 | 147.3 Ų | 147.3 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -74.6 | 73.6 | -176 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | Y225 | Y225-C227 PolarHBondContact O-N 2.95Š| ||
| 228 | H | 50.5 | Low | 60 | Low | 146 Ų | 146 | 143.4 Ų | 143.4 | 68% | 0.676 | 73% | 0.731 | S | S | * | * | trans | -89.3 | 119.4 | 178.6 | -82.9 | -75.2 | 0 | 0 | 0 | 112.7 | A226 | A226-H228 VanDerWaalsContact C-N 3.27Å; A226-H228 PolarHBondContact O-N 2.83Å | ||
| 229 | D | 61.9 | Low | 61.8 | Low | 124 Ų | 124 | 144.3 Ų | 144.3 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | trans | 64.7 | 52.4 | 148.8 | -56 | -54.5 | 0 | 0 | 0 | 118.3 | S231 | D229-S231 PolarHBondContact O-N 3.42Š| ||
| 230 | L | 58.8 | Low | 63 | Low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -77.5 | 23.6 | 150.1 | -65 | -179.9 | 0 | 0 | 0 | 113.1 | ||||
| 231 | S | 70.9 | Confident | 64.3 | Low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -87.8 | 133.1 | 173.9 | -67.3 | 0 | 0 | 0 | 0 | 110 | D229 | D229-S231 PolarHBondContact O-N 3.42Š|
| 232 | P | 76.3 | Confident | 66.1 | Low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 147.8 | 171.8 | 27.6 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 233 | P | 77.7 | Confident | 66.9 | Low | 87 Ų | 87 | 138.4 Ų | 138.4 | 57% | 0.565 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 153.7 | -179.3 | 24.8 | -34.1 | 0 | 0 | 0 | 111.8 | I238 | P233-I238 HydrophobicContact CG-CD1 4.33Š|
| 234 | R | 78.8 | Confident | 67.7 | Low | 189 Ų | 189 | 136.2 Ų | 136.2 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 152.5 | -172.9 | -68 | -165.6 | 176.1 | -173.7 | 1.7 | 111.9 | E236 E237 I238 | R234-E236 WeakPolarHBondContact CB-OE2 3.34Å; R234-E236 PolarHBondContact O-N 3Å; R234-E236 VanDerWaalsContact O-N 3.16Å; R234-E237 PolarHBondContact N-OE2 3.41Å; R234-E237 WeakPolarHBondContact O-CB 3.43Å; R234-E237 PolarHBondContact O-N 3.16Å; R234-I238 PolarHBondContact O-N 3.15Å |
| 235 | Y | 75.3 | Confident | 68.8 | Low | 156 Ų | 156 | 135.9 Ų | 135.9 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -59.4 | -33.3 | -173.4 | -172.3 | -95.4 | 0 | 0 | 0 | 112.4 | E237 I238 Y239 | Y235-E237 VanDerWaalsContact C-N 3.29Å; Y235-E237 PolarHBondContact O-N 3.27Å; Y235-I238 PolarHBondContact O-N 2.91Å; Y235-Y239 HydrophobicContact CD2-CD2 4.12Å; Y235-Y239 HydrophobicContact CE1-CD2 4.06Å; Y235-Y239 HydrophobicContact CE1-CG 4.36Å; Y235-Y239 AromaticContact CE2-CD2 3.54Å; Y235-Y239 HydrophobicContact CE2-CD2 3.54Å; Y235-Y239 AromaticContact CE2-CE2 3.85Å; Y235-Y239 HydrophobicContact CE2-CE2 3.85Å; Y235-Y239 AromaticContact CZ-CD2 3.5Å; Y235-Y239 PolarHBondContact O-N 2.95Å |
| 236 | E | 81.6 | Confident | 70.1 | Confident | 128 Ų | 128 | 130.3 Ų | 130.3 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69.6 | -22.4 | 179 | -57.1 | 75 | -162.5 | 0 | 0 | 113.4 | R234 | R234-E236 WeakPolarHBondContact CB-OE2 3.34Å; R234-E236 PolarHBondContact O-N 3Å; R234-E236 VanDerWaalsContact O-N 3.16Å |
| 237 | E | 76 | Confident | 71.2 | Confident | 140 Ų | 140 | 134.8 Ų | 134.8 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -81 | -33.5 | 174.1 | -58.2 | 176.5 | 114.9 | 0 | 0 | 111.3 | R234 Y235 | R234-E237 PolarHBondContact N-OE2 3.41Å; R234-E237 WeakPolarHBondContact O-CB 3.43Å; R234-E237 PolarHBondContact O-N 3.16Å; Y235-E237 VanDerWaalsContact C-N 3.29Å; Y235-E237 PolarHBondContact O-N 3.27Å |
| 238 | I | 80.9 | Confident | 72.5 | Confident | 97 Ų | 97 | 135.4 Ų | 135.4 | 50% | 0.497 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -80.1 | -35.9 | -179.5 | -53.7 | 169.3 | 0 | 0 | 0 | 110.8 | P233 R234 Y235 P240 | P233-I238 HydrophobicContact CG-CD1 4.33Å; R234-I238 PolarHBondContact O-N 3.15Å; Y235-I238 PolarHBondContact O-N 2.91Å; I238-P240 WeakPolarHBondContact O-CD 3.47Å |
| 239 | Y | 79.1 | Confident | 74 | Confident | 144 Ų | 144 | 134.7 Ų | 134.7 | 57% | 0.565 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -122.8 | 78.5 | 179 | -71.6 | -78.8 | 0 | 0 | 0 | 111.2 | Y235 L241 | Y235-Y239 HydrophobicContact CD2-CD2 4.12Å; Y235-Y239 HydrophobicContact CE1-CD2 4.06Å; Y235-Y239 HydrophobicContact CE1-CG 4.36Å; Y235-Y239 AromaticContact CE2-CD2 3.54Å; Y235-Y239 HydrophobicContact CE2-CD2 3.54Å; Y235-Y239 AromaticContact CE2-CE2 3.85Å; Y235-Y239 HydrophobicContact CE2-CE2 3.85Å; Y235-Y239 AromaticContact CZ-CD2 3.5Å; Y235-Y239 PolarHBondContact O-N 2.95Å; Y239-L241 PolarHBondContact O-N 3.23Å |
| 240 | P | 76.4 | Confident | 74.9 | Confident | 95 Ų | 95 | 135.4 Ų | 135.4 | 62% | 0.617 | 73% | 0.727 | S | S | * | * | trans | -61.4 | 122.8 | 174.9 | 25 | -34 | 0 | 0 | 0 | 110.8 | I238 S242 | I238-P240 WeakPolarHBondContact O-CD 3.47Å; P240-S242 PolarHBondContact O-N 3.37Å; P240-S242 VanDerWaalsContact O-N 3.08Å | ||
| 241 | L | 75.8 | Confident | 76.1 | Confident | 172 Ų | 172 | 133 Ų | 133 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | -61 | 111 | 175.8 | -74 | 165.1 | 0 | 0 | 0 | 109.9 | Y239 S243 | Y239-L241 PolarHBondContact O-N 3.23Å; L241-S243 PolarHBondContact O-N 3.08Å | ||
| 242 | S | 75.1 | Confident | 76.5 | Confident | 131 Ų | 131 | 136.7 Ų | 136.7 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -70.8 | 120.4 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 110 | P240 | P240-S242 PolarHBondContact O-N 3.37Å; P240-S242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | S | 65.4 | Low | 76.6 | Confident | 188 Ų | 188 | 138.8 Ų | 138.8 | 100% | 1.315 | 72% | 0.723 | S | S | * | * | trans | -110.8 | 0 | 175.6 | -177 | 0 | 0 | 0 | 0 | 112.1 | L241 | L241-S243 PolarHBondContact O-N 3.08Š|
Retrieved 243 of 243 residues in 41.1 ms
(Link to these results)