| 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 | 49.1 | Very low | 60.9 | Low | 236 Ų | 236 | 154 Ų | 154 | 100% | 1.163 | 82% | 0.822 | S | S | * | * | 0 | 84.3 | 0 | -79.5 | -80.7 | 172.8 | 0 | 0 | 108.4 | |||||
| 2 | H | 56.1 | Low | 60 | Low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -154.6 | 140.6 | 160.3 | -92.1 | -66.4 | 0 | 0 | 0 | 106.8 | ||||
| 3 | P | 66.6 | Low | 60 | Low | 122 Ų | 122 | 157.8 Ų | 157.8 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -82.6 | 147.5 | -162 | 30.8 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 4 | V | 55.8 | Low | 59.9 | Low | 122 Ų | 122 | 154.3 Ų | 154.3 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | trans | -74 | 115.9 | -180 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | K6 | V4-K6 HydrophobicContact CG1-CG 4.05Å; V4-K6 PolarHBondContact O-N 2.85Å | ||
| 5 | E | 66.2 | Low | 60.1 | Low | 181 Ų | 181 | 160.3 Ų | 160.3 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -89.5 | 102 | 172.8 | -153.1 | 171.6 | -160 | 0 | 0 | 109.2 | ||||
| 6 | K | 65.2 | Low | 60.5 | Low | 190 Ų | 190 | 153.4 Ų | 153.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -83.2 | 109.5 | 176.3 | -68.5 | 178.8 | 178.4 | 176.8 | 0 | 108.8 | V4 | V4-K6 HydrophobicContact CG1-CG 4.05Å; V4-K6 PolarHBondContact O-N 2.85Å | ||
| 7 | Q | 68.5 | Low | 60.7 | Low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -77.9 | 149.4 | 169.4 | -72.9 | -125.3 | -17.2 | 0 | 0 | 111.6 | ||||
| 8 | P | 64 | Low | 60.5 | Low | 107 Ų | 107 | 152.7 Ų | 152.7 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | trans | -74.4 | 139.9 | -165.7 | 29.4 | -34.3 | 0 | 0 | 0 | 113 | V10 | P8-V10 PolarHBondContact O-N 3.3Š| ||
| 9 | I | 57.1 | Low | 60.3 | Low | 169 Ų | 169 | 149.7 Ų | 149.7 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -66.1 | 108 | 169.7 | -64.4 | 164.2 | 0 | 0 | 0 | 107.7 | A11 | I9-A11 PolarHBondContact O-N 2.81Š| ||
| 10 | V | 61.9 | Low | 60.1 | Low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 113.1 | 171.4 | -177 | 0 | 0 | 0 | 0 | 108.1 | P8 | P8-V10 PolarHBondContact O-N 3.3Š| ||
| 11 | A | 59.8 | Low | 60.2 | Low | 80 Ų | 80 | 148.8 Ų | 148.8 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 131.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I9 | I9-A11 PolarHBondContact O-N 2.81Š| ||
| 12 | M | 50.2 | Low | 60.8 | Low | 171 Ų | 171 | 143.1 Ų | 143.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | 35.7 | 106.8 | 142.8 | -60.9 | -178.3 | 73.4 | 0 | 0 | 119.2 | ||||
| 13 | E | 59.7 | Low | 60.9 | Low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -116.2 | 102.1 | 141 | -78.4 | -171.8 | 153.7 | 0 | 0 | 109 | R15 | E13-R15 PolarHBondContact O-N 3.13Å; E13-R15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | S | 58.4 | Low | 60.6 | Low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -64.9 | 101.9 | 168.8 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | G16 | S14-G16 PolarHBondContact O-N 3.06Š| ||
| 15 | R | 62.7 | Low | 60.8 | Low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -68.5 | 97.6 | 164.3 | -70.7 | -175.8 | 177.4 | -180 | -0.8 | 108.2 | E13 | E13-R15 PolarHBondContact O-N 3.13Å; E13-R15 VanDerWaalsContact O-N 3.09Å | ||
| 16 | G | 66.8 | Low | 60.6 | Low | 51 Ų | 51 | 144.1 Ų | 144.1 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | trans | -55.6 | 160 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S14 M18 | S14-G16 PolarHBondContact O-N 3.06Å; G16-M18 PolarHBondContact O-N 3.1Å | ||
| 17 | P | 63 | Low | 60.3 | Low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | trans | -62.4 | 115 | 179.9 | 27.7 | -31.6 | 0 | 0 | 0 | 107.5 | S19 | P17-S19 PolarHBondContact O-N 3.24Š| ||
| 18 | M | 57.7 | Low | 60 | Low | 163 Ų | 163 | 137.4 Ų | 137.4 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | -52.8 | 115.9 | 168.9 | -86.9 | -134.6 | 63.3 | 0 | 0 | 107.5 | G16 V20 | G16-M18 PolarHBondContact O-N 3.1Å; M18-V20 VanDerWaalsContact C-N 3.32Å; M18-V20 PolarHBondContact O-N 2.68Å | ||
| 19 | S | 56.5 | Low | 60.2 | Low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -51.8 | 100.9 | 164.4 | 49.1 | 0 | 0 | 0 | 0 | 107.6 | P17 L21 | P17-S19 PolarHBondContact O-N 3.24Å; S19-L21 VanDerWaalsContact C-N 3.28Å; S19-L21 PolarHBondContact O-N 3.2Å | ||
| 20 | V | 56.7 | Low | 60.5 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -67.8 | 95.6 | 170 | -179.4 | 0 | 0 | 0 | 0 | 105.2 | M18 | M18-V20 VanDerWaalsContact C-N 3.32Å; M18-V20 PolarHBondContact O-N 2.68Å | ||
| 21 | L | 63.3 | Low | 60.9 | Low | 142 Ų | 142 | 143 Ų | 143 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 137.7 | 163.1 | -94.1 | 136.3 | 0 | 0 | 0 | 107.9 | S19 D23 | S19-L21 VanDerWaalsContact C-N 3.28Å; S19-L21 PolarHBondContact O-N 3.2Å; L21-D23 PolarHBondContact O-N 2.89Å |
| 22 | P | 60.4 | Low | 61.5 | Low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116.1 | 173.2 | 26.2 | -30.8 | 0 | 0 | 0 | 106.8 | E24 | P22-E24 PolarHBondContact O-N 2.76Š|
| 23 | D | 57.7 | Low | 62.5 | Low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 117.1 | 173.8 | -105.9 | -17.3 | 0 | 0 | 0 | 107.2 | L21 | L21-D23 PolarHBondContact O-N 2.89Š|
| 24 | E | 60.6 | Low | 62.7 | Low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | trans | -45 | 133.9 | 166.5 | -123.5 | -167.1 | 163.8 | 0 | 0 | 107.4 | P22 R26 | P22-E24 PolarHBondContact O-N 2.76Å; E24-R26 PolarHBondContact O-N 3.3Å | ||
| 25 | P | 61.1 | Low | 63 | Low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -55.8 | 110.5 | -178.9 | 22.8 | -32.2 | 0 | 0 | 0 | 107.4 | C27 | P25-C27 VanDerWaalsContact C-N 3.29Å; P25-C27 PolarHBondContact O-N 2.77Å | ||
| 26 | R | 60.6 | Low | 63.1 | Low | 213 Ų | 213 | 133 Ų | 133 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -58 | 98 | 179.1 | -73.4 | -175.6 | 180 | -168 | 0.9 | 107.2 | E24 P28 | E24-R26 PolarHBondContact O-N 3.3Å; R26-P28 WeakPolarHBondContact O-CD 3.38Å | ||
| 27 | C | 58.9 | Low | 62.9 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | -52.2 | 125.5 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 107.4 | P25 R29 | P25-C27 VanDerWaalsContact C-N 3.29Å; P25-C27 PolarHBondContact O-N 2.77Å; C27-R29 PolarHBondContact O-N 2.98Å | ||
| 28 | P | 63.8 | Low | 62.8 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -52.4 | 119.4 | 174.6 | -23.9 | 32.1 | 0 | 0 | 0 | 107.9 | R26 V30 | R26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-V30 PolarHBondContact O-N 3.47Å | ||
| 29 | R | 66.6 | Low | 63 | Low | 246 Ų | 246 | 135.4 Ų | 135.4 | 93% | 0.928 | 69% | 0.686 | S | S | * | * | trans | -67.3 | 85.7 | 173.1 | -76 | -176.5 | 178.5 | 137.2 | -1.3 | 107.8 | C27 R31 | C27-R29 PolarHBondContact O-N 2.98Å; R29-R31 PolarHBondContact O-N 3.16Å; R29-R31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | V | 64.9 | Low | 63.2 | Low | 101 Ų | 101 | 137.1 Ų | 137.1 | 61% | 0.612 | 68% | 0.681 | S | S | * | * | trans | -69.7 | 109.5 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 106.2 | P28 A34 | P28-V30 PolarHBondContact O-N 3.47Å; V30-A34 HydrophobicContact CG1-CB 3.86Å | ||
| 31 | R | 70.6 | Confident | 63.3 | Low | 181 Ų | 181 | 135.5 Ų | 135.5 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | trans | -55.3 | 138.8 | 171.9 | -75.7 | -172.1 | 175 | 179.9 | -0.1 | 108.6 | R29 E33 A34 | R29-R31 PolarHBondContact O-N 3.16Å; R29-R31 VanDerWaalsContact O-N 3.16Å; R31-E33 PolarHBondContact O-N 2.78Å; R31-A34 VanDerWaalsContact O-CB 3.3Å; R31-A34 WeakPolarHBondContact O-CB 3.28Å; R31-A34 PolarHBondContact O-N 2.97Å | ||
| 32 | P | 70.5 | Confident | 63 | Low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -51.8 | -33.5 | 178.9 | -25.5 | 32.4 | 0 | 0 | 0 | 113 | A34 R35 | P32-A34 VanDerWaalsContact C-N 3.31Å; P32-A34 PolarHBondContact O-N 3.15Å; P32-R35 PolarHBondContact O-N 2.77Å |
| 33 | E | 72.4 | Confident | 62.6 | Low | 120 Ų | 120 | 136.3 Ų | 136.3 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.8 | -33 | 175.9 | -62.5 | 160.4 | -173.2 | 0 | 0 | 113.4 | R31 R35 Q36 N37 | R31-E33 PolarHBondContact O-N 2.78Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.42Å; E33-Q36 PolarHBondContact O-N 3.39Å; E33-N37 PolarHBondContact O-N 2.85Å |
| 34 | A | 63.9 | Low | 62.2 | Low | 44 Ų | 44 | 132 Ų | 132 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.6 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V30 R31 P32 N37 Y38 | V30-A34 HydrophobicContact CG1-CB 3.86Å; R31-A34 VanDerWaalsContact O-CB 3.3Å; R31-A34 WeakPolarHBondContact O-CB 3.28Å; R31-A34 PolarHBondContact O-N 2.97Å; P32-A34 VanDerWaalsContact C-N 3.31Å; P32-A34 PolarHBondContact O-N 3.15Å; A34-N37 PolarHBondContact O-N 3.4Å; A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.13Å |
| 35 | R | 64 | Low | 61.5 | Low | 188 Ų | 188 | 127.1 Ų | 127.1 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 175.4 | -159.5 | 176.3 | -172.9 | -179.2 | 2.1 | 111.4 | P32 E33 Q39 | P32-R35 PolarHBondContact O-N 2.77Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.42Å; R35-Q39 PolarHBondContact O-N 3.39Å; R35-Q39 VanDerWaalsContact O-N 3.13Å |
| 36 | Q | 65.5 | Low | 60.8 | Low | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.9 | -38.9 | 172.9 | -84.7 | -174.8 | 5 | 0 | 0 | 112.6 | E33 Q39 K40 | E33-Q36 PolarHBondContact O-N 3.39Å; Q36-Q39 PolarHBondContact O-N 2.65Å; Q36-K40 WeakPolarHBondContact O-CB 3.42Å; Q36-K40 VanDerWaalsContact O-CG 3.28Å; Q36-K40 WeakPolarHBondContact O-CG 3.17Å; Q36-K40 PolarHBondContact O-N 2.86Å |
| 37 | N | 62.8 | Low | 60.3 | Low | 90 Ų | 90 | 118.2 Ų | 118.2 | 48% | 0.481 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.6 | -37.2 | 176.8 | -75.7 | -20.8 | 0 | 0 | 0 | 112.1 | E33 A34 K40 N41 | E33-N37 PolarHBondContact O-N 2.85Å; A34-N37 PolarHBondContact O-N 3.4Å; N37-K40 PolarHBondContact O-N 3.08Å; N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.38Å; N37-N41 PolarHBondContact O-N 2.99Å; N37-N41 PolarHBondContact O-ND2 2.94Å |
| 38 | Y | 60.1 | Low | 59.7 | Low | 179 Ų | 179 | 115.6 Ų | 115.6 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -47.3 | 174.3 | -155.5 | -92.7 | 0 | 0 | 0 | 111 | A34 K40 N41 V42 | A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.13Å; Y38-K40 PolarHBondContact O-N 3.4Å; Y38-N41 PolarHBondContact O-N 3.1Å; Y38-V42 HydrophobicContact CD1-CG2 4.05Å; Y38-V42 HydrophobicContact CE1-CG2 4.05Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.34Å; Y38-V42 PolarHBondContact O-N 3.3Å |
| 39 | Q | 62.2 | Low | 59.1 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.4 | -39.4 | 175.9 | -75.1 | -179.6 | -15.5 | 0 | 0 | 113.1 | R35 Q36 N41 | R35-Q39 PolarHBondContact O-N 3.39Å; R35-Q39 VanDerWaalsContact O-N 3.13Å; Q36-Q39 PolarHBondContact O-N 2.65Å; Q39-N41 VanDerWaalsContact C-N 3.35Å |
| 40 | K | 61.6 | Low | 58.5 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 58% | 0.578 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.7 | -32.1 | 176.4 | -76.4 | 174.3 | -179.1 | 171.8 | 0 | 112.6 | Q36 N37 Y38 G44 | Q36-K40 WeakPolarHBondContact O-CB 3.42Å; Q36-K40 VanDerWaalsContact O-CG 3.28Å; Q36-K40 WeakPolarHBondContact O-CG 3.17Å; Q36-K40 PolarHBondContact O-N 2.86Å; N37-K40 PolarHBondContact O-N 3.08Å; Y38-K40 PolarHBondContact O-N 3.4Å; K40-G44 VanDerWaalsContact O-CA 3.26Å; K40-G44 WeakPolarHBondContact O-CA 3.48Å; K40-G44 PolarHBondContact O-N 2.89Å |
| 41 | N | 58 | Low | 58 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -85.3 | -26.7 | -178.4 | -73 | -12.6 | 0 | 0 | 0 | 113.5 | N37 Y38 Q39 F43 G44 C45 | N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.38Å; N37-N41 PolarHBondContact O-N 2.99Å; N37-N41 PolarHBondContact O-ND2 2.94Å; Y38-N41 PolarHBondContact O-N 3.1Å; Q39-N41 VanDerWaalsContact C-N 3.35Å; N41-F43 PolarHBondContact O-N 3.34Å; N41-G44 PolarHBondContact O-N 3.22Å; N41-C45 PolarHBondContact O-N 3.33Å |
| 42 | V | 56.6 | Low | 57.1 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.5 | -33.8 | 171.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | Y38 | Y38-V42 HydrophobicContact CD1-CG2 4.05Å; Y38-V42 HydrophobicContact CE1-CG2 4.05Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.34Å; Y38-V42 PolarHBondContact O-N 3.3Å |
| 43 | F | 53 | Low | 55.9 | Low | 184 Ų | 184 | 116.7 Ų | 116.7 | 81% | 0.807 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -5.6 | 174.2 | -70.1 | -80.2 | 0 | 0 | 0 | 114.3 | N41 | N41-F43 PolarHBondContact O-N 3.34Š|
| 44 | G | 49.2 | Very low | 54.8 | Low | 40 Ų | 40 | 115.4 Ų | 115.4 | 41% | 0.412 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.5 | 1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K40 N41 G46 | K40-G44 VanDerWaalsContact O-CA 3.26Å; K40-G44 WeakPolarHBondContact O-CA 3.48Å; K40-G44 PolarHBondContact O-N 2.89Å; N41-G44 PolarHBondContact O-N 3.22Å; G44-G46 PolarHBondContact O-N 3.02Å; G44-G46 VanDerWaalsContact O-N 3.14Å |
| 45 | C | 45.1 | Very low | 54.2 | Low | 71 Ų | 71 | 119.4 Ų | 119.4 | 48% | 0.48 | 61% | 0.614 | S | S | . | * | trans | -58.3 | 119.1 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | N41 V47 A48 | N41-C45 PolarHBondContact O-N 3.33Å; C45-V47 PolarHBondContact O-N 3.34Å; C45-A48 PolarHBondContact O-N 3.27Å | ||
| 46 | G | 46.9 | Very low | 53.5 | Low | 47 Ų | 47 | 120.8 Ų | 120.8 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -54.3 | -15.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G44 L50 | G44-G46 PolarHBondContact O-N 3.02Å; G44-G46 VanDerWaalsContact O-N 3.14Å; G46-L50 PolarHBondContact O-N 2.91Å |
| 47 | V | 49.6 | Very low | 52.6 | Low | 93 Ų | 93 | 122.2 Ų | 122.2 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.2 | -38.4 | 172.8 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | C45 K49 L50 L51 | C45-V47 PolarHBondContact O-N 3.34Å; V47-K49 VanDerWaalsContact C-N 3.34Å; V47-K49 PolarHBondContact O-N 2.9Å; V47-L50 PolarHBondContact O-N 3.33Å; V47-L51 HydrophobicContact CG1-CD1 4.44Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.4Å |
| 48 | A | 47.4 | Very low | 51.6 | Low | 49 Ų | 49 | 125.7 Ų | 125.7 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.1 | -29.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C45 L51 Q52 | C45-A48 PolarHBondContact O-N 3.27Å; A48-L51 PolarHBondContact O-N 2.77Å; A48-Q52 PolarHBondContact O-N 3.24Å |
| 49 | K | 49.9 | Very low | 51.2 | Low | 157 Ų | 157 | 125.4 Ų | 125.4 | 68% | 0.683 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72 | -28 | 172.5 | -94.4 | -173.6 | 173.1 | -175.8 | 0 | 113.4 | V47 L51 | V47-K49 VanDerWaalsContact C-N 3.34Å; V47-K49 PolarHBondContact O-N 2.9Å; K49-L51 VanDerWaalsContact C-N 3.35Å |
| 50 | L | 53.7 | Low | 50.6 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.1 | -28.6 | 174.9 | -89.6 | 152.9 | 0 | 0 | 0 | 112.4 | G46 V47 W53 | G46-L50 PolarHBondContact O-N 2.91Å; V47-L50 PolarHBondContact O-N 3.33Å; L50-W53 HydrophobicContact CD2-CE3 4.37Å; L50-W53 HydrophobicContact CD2-CZ3 4.13Å |
| 51 | L | 54.5 | Low | 49.8 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -88.5 | -9 | -178.1 | -65.6 | 169.4 | 0 | 0 | 0 | 114.1 | V47 A48 K49 | V47-L51 HydrophobicContact CG1-CD1 4.44Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.4Å; A48-L51 PolarHBondContact O-N 2.77Å; K49-L51 VanDerWaalsContact C-N 3.35Å |
| 52 | Q | 53.2 | Low | 49.2 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 2.1 | 177.7 | -100.7 | 178.1 | 6.3 | 0 | 0 | 114.2 | A48 | A48-Q52 PolarHBondContact O-N 3.24Š|
| 53 | W | 43.3 | Very low | 48.4 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -75.7 | 126 | 177.8 | -100.1 | -43.4 | 0 | 0 | 0 | 111.1 | L50 S55 | L50-W53 HydrophobicContact CD2-CE3 4.37Å; L50-W53 HydrophobicContact CD2-CZ3 4.13Å; W53-S55 PolarHBondContact O-N 2.9Å |
| 54 | P | 49.6 | Very low | 47.8 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | -66 | 134.7 | 174.6 | 18.7 | -14.3 | 0 | 0 | 0 | 109 | R56 | P54-R56 PolarHBondContact O-N 3.42Š| ||
| 55 | S | 52.1 | Low | 47.7 | Very low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -65.9 | 29.6 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | W53 | W53-S55 PolarHBondContact O-N 2.9Š|
| 56 | R | 49.2 | Very low | 47.6 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | trans | -137.1 | 75.6 | 177.2 | -73.8 | -170.4 | 177 | -167 | -0.5 | 110.6 | P54 | P54-R56 PolarHBondContact O-N 3.42Š| ||
| 57 | M | 47.1 | Very low | 47.8 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | trans | -132.4 | 99.9 | 156.8 | -78.6 | -65.9 | 161.1 | 0 | 0 | 107.4 | F59 | M57-F59 HydrophobicContact CB-CD2 4.46Å; M57-F59 HydrophobicContact CB-CE2 4.09Å; M57-F59 WeakPolarHBondContact O-CD2 3.34Å; M57-F59 PolarHBondContact O-N 2.91Å | ||
| 58 | D | 41.6 | Very low | 47.7 | Very low | 164 Ų | 164 | 148 Ų | 148 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -63.7 | 98.2 | 166 | -66.1 | -49.9 | 0 | 0 | 0 | 107.6 | P60 | D58-P60 WeakPolarHBondContact O-CD 3.22Š| ||
| 59 | F | 51.2 | Low | 48 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 119.7 | 169.5 | -77 | -81.1 | 0 | 0 | 0 | 108.1 | M57 L61 | M57-F59 HydrophobicContact CB-CD2 4.46Å; M57-F59 HydrophobicContact CB-CE2 4.09Å; M57-F59 WeakPolarHBondContact O-CD2 3.34Å; M57-F59 PolarHBondContact O-N 2.91Å; F59-L61 PolarHBondContact O-N 3.05Å | ||
| 60 | P | 50.1 | Low | 48.3 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -63 | 112.3 | 168.8 | 25.8 | -30 | 0 | 0 | 0 | 106.9 | D58 Y62 | D58-P60 WeakPolarHBondContact O-CD 3.22Å; P60-Y62 HydrophobicContact CB-CD2 4.23Å; P60-Y62 HydrophobicContact CB-CE2 4.43Å; P60-Y62 HydrophobicContact CG-CD2 4.31Å; P60-Y62 HydrophobicContact CG-CE2 4.45Å; P60-Y62 PolarHBondContact O-N 3.2Å | ||
| 61 | L | 44.3 | Very low | 48.4 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -64 | 84.2 | 168.4 | -71.9 | 173.3 | 0 | 0 | 0 | 107.7 | F59 R63 | F59-L61 PolarHBondContact O-N 3.05Å; L61-R63 PolarHBondContact O-N 2.79Å | ||
| 62 | Y | 46.4 | Very low | 48.6 | Very low | 213 Ų | 213 | 155.3 Ų | 155.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -64.9 | 92.7 | 166.4 | -99.4 | -85.8 | 0 | 0 | 0 | 107.7 | P60 G64 | P60-Y62 HydrophobicContact CB-CD2 4.23Å; P60-Y62 HydrophobicContact CB-CE2 4.43Å; P60-Y62 HydrophobicContact CG-CD2 4.31Å; P60-Y62 HydrophobicContact CG-CE2 4.45Å; P60-Y62 PolarHBondContact O-N 3.2Å; Y62-G64 PolarHBondContact O-N 3Å | ||
| 63 | R | 39.2 | Very low | 49 | Very low | 256 Ų | 256 | 154.8 Ų | 154.8 | 97% | 0.966 | 76% | 0.764 | S | S | * | * | trans | -72 | 71.9 | 169.6 | -147 | -176.3 | -148.5 | -141.2 | 7.2 | 108 | L61 | L61-R63 PolarHBondContact O-N 2.79Š| ||
| 64 | G | 41.2 | Very low | 49.9 | Very low | 62 Ų | 62 | 150.1 Ų | 150.1 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | -101.3 | 91.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y62 | Y62-G64 PolarHBondContact O-N 3Š| ||
| 65 | R | 45.4 | Very low | 50.8 | Low | 228 Ų | 228 | 150.5 Ų | 150.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 23.1 | 116 | 151.3 | -56.7 | -175.7 | -162.8 | -145.3 | 3 | 118.6 | A67 | R65-A67 PolarHBondContact O-N 3.4Š| ||
| 66 | T | 42.9 | Very low | 51.8 | Low | 146 Ų | 146 | 146.8 Ų | 146.8 | 90% | 0.896 | 73% | 0.727 | S | S | * | * | trans | 49 | 67.1 | 145.1 | 59.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 67 | A | 51.9 | Low | 52.7 | Low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -100.1 | 101.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R65 | R65-A67 PolarHBondContact O-N 3.4Š| ||
| 68 | S | 48.4 | Very low | 53.8 | Low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -32.2 | 133.3 | 169.1 | 176.8 | 0 | 0 | 0 | 0 | 115.5 | S70 | S68-S70 PolarHBondContact O-N 3.34Š| ||
| 69 | R | 53.3 | Low | 55.2 | Low | 243 Ų | 243 | 135.3 Ų | 135.3 | 92% | 0.917 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -26.6 | 91.5 | 163.9 | -69.2 | 171.7 | 169.8 | -177.6 | -3.8 | 114.3 | ||
| 70 | S | 56.7 | Low | 56.2 | Low | 38 Ų | 38 | 135.7 Ų | 135.7 | 27% | 0.266 | 68% | 0.681 | S | S | . | * | trans | -167.9 | 77.8 | 150.3 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | S68 L72 K73 N74 | S68-S70 PolarHBondContact O-N 3.34Å; S70-L72 PolarHBondContact O-N 3.48Å; S70-L72 VanDerWaalsContact O-N 3.08Å; S70-K73 PolarHBondContact O-N 2.89Å; S70-K73 WeakPolarHBondContact OG-CB 3.41Å; S70-N74 PolarHBondContact O-N 3.11Å | ||
| 71 | F | 54.7 | Low | 57.3 | Low | 183 Ų | 183 | 135.5 Ų | 135.5 | 80% | 0.803 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -51.9 | -31.1 | 172 | -71.2 | -81.5 | 0 | 0 | 0 | 112.7 | N75 | F71-N75 WeakPolarHBondContact O-CB 3.13Å; F71-N75 PolarHBondContact O-N 3.25Å |
| 72 | L | 58.8 | Low | 58.4 | Low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.9 | -37.7 | 175.8 | -86.9 | 80.7 | 0 | 0 | 0 | 114 | S70 A76 | S70-L72 PolarHBondContact O-N 3.48Å; S70-L72 VanDerWaalsContact O-N 3.08Å; L72-A76 PolarHBondContact O-N 3.13Å |
| 73 | K | 61.2 | Low | 59.7 | Low | 156 Ų | 156 | 123.7 Ų | 123.7 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.1 | -36.4 | -178.4 | -67 | -176.4 | -178.7 | 179.1 | 0 | 111.3 | S70 N75 A76 A77 | S70-K73 PolarHBondContact O-N 2.89Å; S70-K73 WeakPolarHBondContact OG-CB 3.41Å; K73-N75 VanDerWaalsContact C-N 3.33Å; K73-A76 PolarHBondContact O-N 3.38Å; K73-A77 PolarHBondContact O-N 3.24Å; K73-A77 VanDerWaalsContact O-N 3.14Å |
| 74 | N | 63 | Low | 61 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.9 | -36.2 | 175.2 | -69.4 | -9.8 | 0 | 0 | 0 | 111.6 | S70 A77 Y78 | S70-N74 PolarHBondContact O-N 3.11Å; N74-A77 PolarHBondContact O-N 3Å; N74-Y78 WeakPolarHBondContact O-CB 3.29Å; N74-Y78 PolarHBondContact O-N 2.92Å |
| 75 | N | 69 | Low | 61.9 | Low | 100 Ų | 100 | 116.5 Ų | 116.5 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.2 | -43 | 174 | -113 | -34.6 | 0 | 0 | 0 | 112.5 | F71 K73 A77 Y78 V79 | F71-N75 WeakPolarHBondContact O-CB 3.13Å; F71-N75 PolarHBondContact O-N 3.25Å; K73-N75 VanDerWaalsContact C-N 3.33Å; N75-A77 VanDerWaalsContact C-N 3.33Å; N75-A77 PolarHBondContact O-N 3.46Å; N75-Y78 PolarHBondContact O-N 2.98Å; N75-V79 VanDerWaalsContact O-CG2 3.31Å; N75-V79 WeakPolarHBondContact O-CG2 3.34Å; N75-V79 PolarHBondContact O-N 3.11Å |
| 76 | A | 71.7 | Confident | 62.6 | Low | 50 Ų | 50 | 109.6 Ų | 109.6 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L72 K73 R80 | L72-A76 PolarHBondContact O-N 3.13Å; K73-A76 PolarHBondContact O-N 3.38Å; A76-R80 PolarHBondContact O-N 3.35Å; A76-R80 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 68.4 | Low | 63.4 | Low | 46 Ų | 46 | 110.6 Ų | 110.6 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K73 N74 N75 R80 N81 | K73-A77 PolarHBondContact O-N 3.24Å; K73-A77 VanDerWaalsContact O-N 3.14Å; N74-A77 PolarHBondContact O-N 3Å; N75-A77 VanDerWaalsContact C-N 3.33Å; N75-A77 PolarHBondContact O-N 3.46Å; A77-R80 PolarHBondContact O-N 3.16Å; A77-N81 PolarHBondContact O-N 3.5Å |
| 78 | Y | 71 | Confident | 63.6 | Low | 149 Ų | 149 | 111.5 Ų | 111.5 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -45.6 | 177.4 | -173.6 | -108.4 | 0 | 0 | 0 | 112.2 | N74 N75 R80 N81 L82 | N74-Y78 WeakPolarHBondContact O-CB 3.29Å; N74-Y78 PolarHBondContact O-N 2.92Å; N75-Y78 PolarHBondContact O-N 2.98Å; Y78-R80 PolarHBondContact O-N 3.41Å; Y78-N81 PolarHBondContact O-N 2.83Å; Y78-L82 HydrophobicContact CD1-CD1 3.53Å; Y78-L82 HydrophobicContact CD2-CD1 4.42Å; Y78-L82 HydrophobicContact CE1-CD1 3.17Å; Y78-L82 HydrophobicContact CE2-CD1 4.12Å; Y78-L82 HydrophobicContact CG-CD1 4.14Å; Y78-L82 VanDerWaalsContact CZ-CD1 3.49Å; Y78-L82 PolarHBondContact O-N 3.49Å |
| 79 | V | 70.9 | Confident | 63.9 | Low | 89 Ų | 89 | 111.6 Ų | 111.6 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -37.8 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | N75 S83 | N75-V79 VanDerWaalsContact O-CG2 3.31Å; N75-V79 WeakPolarHBondContact O-CG2 3.34Å; N75-V79 PolarHBondContact O-N 3.11Å; V79-S83 PolarHBondContact O-N 3.4Å |
| 80 | R | 72.3 | Confident | 63.9 | Low | 181 Ų | 181 | 106.4 Ų | 106.4 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 173.7 | -83.2 | -171.5 | -165.7 | 139.4 | 2.9 | 112.4 | A76 A77 Y78 S83 N84 | A76-R80 PolarHBondContact O-N 3.35Å; A76-R80 VanDerWaalsContact O-N 3.14Å; A77-R80 PolarHBondContact O-N 3.16Å; Y78-R80 PolarHBondContact O-N 3.41Å; R80-S83 PolarHBondContact O-N 2.89Å; R80-N84 PolarHBondContact O-N 3.33Å; R80-N84 PolarHBondContact O-ND2 2.85Å |
| 81 | N | 71.6 | Confident | 63.8 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 179 | -69.8 | -11.3 | 0 | 0 | 0 | 111.2 | A77 Y78 S83 N84 D85 | A77-N81 PolarHBondContact O-N 3.5Å; Y78-N81 PolarHBondContact O-N 2.83Å; N81-S83 VanDerWaalsContact C-N 3.3Å; N81-S83 PolarHBondContact O-N 3.07Å; N81-N84 PolarHBondContact O-N 2.99Å; N81-D85 PolarHBondContact O-N 2.95Å |
| 82 | L | 68.4 | Low | 63.7 | Low | 78 Ų | 78 | 105.4 Ų | 105.4 | 41% | 0.408 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 171.9 | -93.2 | 141.3 | 0 | 0 | 0 | 112.8 | Y78 N84 D85 V86 | Y78-L82 HydrophobicContact CD1-CD1 3.53Å; Y78-L82 HydrophobicContact CD2-CD1 4.42Å; Y78-L82 HydrophobicContact CE1-CD1 3.17Å; Y78-L82 HydrophobicContact CE2-CD1 4.12Å; Y78-L82 HydrophobicContact CG-CD1 4.14Å; Y78-L82 VanDerWaalsContact CZ-CD1 3.49Å; Y78-L82 PolarHBondContact O-N 3.49Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 3.23Å; L82-D85 PolarHBondContact O-N 3.19Å; L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 3.09Å |
| 83 | S | 72.6 | Confident | 63.3 | Low | 54 Ų | 54 | 105.9 Ų | 105.9 | 38% | 0.378 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.9 | -31.6 | 176.3 | -175 | 0 | 0 | 0 | 0 | 112.9 | V79 R80 N81 R87 | V79-S83 PolarHBondContact O-N 3.4Å; R80-S83 PolarHBondContact O-N 2.89Å; N81-S83 VanDerWaalsContact C-N 3.3Å; N81-S83 PolarHBondContact O-N 3.07Å; S83-R87 VanDerWaalsContact O-CG 3.28Å; S83-R87 WeakPolarHBondContact O-CG 3.43Å; S83-R87 PolarHBondContact O-N 2.78Å |
| 84 | N | 67.8 | Low | 62.8 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.5 | -40.5 | 176 | -71.9 | -23.3 | 0 | 0 | 0 | 111.1 | R80 N81 L82 V86 R87 L88 | R80-N84 PolarHBondContact O-N 3.33Å; R80-N84 PolarHBondContact O-ND2 2.85Å; N81-N84 PolarHBondContact O-N 2.99Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 3.23Å; N84-V86 VanDerWaalsContact C-N 3.33Å; N84-V86 PolarHBondContact O-N 3.44Å; N84-R87 WeakPolarHBondContact O-CA 3.17Å; N84-R87 WeakPolarHBondContact O-CB 3.29Å; N84-R87 PolarHBondContact O-N 3.02Å; N84-L88 WeakPolarHBondContact O-CG 3.41Å; N84-L88 PolarHBondContact O-N 3Å |
| 85 | D | 60.1 | Low | 62.2 | Low | 88 Ų | 88 | 104.3 Ų | 104.3 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.6 | -67.4 | -20.7 | 0 | 0 | 0 | 112 | N81 L82 R87 N89 | N81-D85 PolarHBondContact O-N 2.95Å; L82-D85 PolarHBondContact O-N 3.19Å; D85-R87 VanDerWaalsContact C-N 3.28Å; D85-R87 PolarHBondContact O-N 3.47Å; D85-N89 WeakPolarHBondContact O-CB 3.38Å; D85-N89 PolarHBondContact O-N 2.88Å; D85-N89 PolarHBondContact O-ND2 2.83Å |
| 86 | V | 59.7 | Low | 61.3 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.3 | -28.5 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | L82 N84 K90 | L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 3.09Å; N84-V86 VanDerWaalsContact C-N 3.33Å; N84-V86 PolarHBondContact O-N 3.44Å; V86-K90 WeakPolarHBondContact O-CG 3.49Å |
| 87 | R | 58.9 | Low | 60.3 | Low | 168 Ų | 168 | 113.4 Ų | 113.4 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.7 | -41.7 | 174.9 | -75.4 | 173.4 | 174.1 | -170.9 | -3.2 | 111.8 | S83 N84 D85 K90 V91 | S83-R87 VanDerWaalsContact O-CG 3.28Å; S83-R87 WeakPolarHBondContact O-CG 3.43Å; S83-R87 PolarHBondContact O-N 2.78Å; N84-R87 WeakPolarHBondContact O-CA 3.17Å; N84-R87 WeakPolarHBondContact O-CB 3.29Å; N84-R87 PolarHBondContact O-N 3.02Å; D85-R87 VanDerWaalsContact C-N 3.28Å; D85-R87 PolarHBondContact O-N 3.47Å; R87-K90 WeakPolarHBondContact O-CB 3.31Å; R87-K90 PolarHBondContact O-N 2.75Å; R87-K90 VanDerWaalsContact O-N 3.14Å; R87-V91 PolarHBondContact O-N 2.97Å |
| 88 | L | 57.3 | Low | 59.3 | Low | 110 Ų | 110 | 119.9 Ų | 119.9 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 176.5 | -71.2 | 168.4 | 0 | 0 | 0 | 111.7 | N84 K90 V91 D92 | N84-L88 WeakPolarHBondContact O-CG 3.41Å; N84-L88 PolarHBondContact O-N 3Å; L88-K90 PolarHBondContact O-N 3.5Å; L88-V91 PolarHBondContact O-N 3.13Å; L88-D92 PolarHBondContact O-N 2.86Å |
| 89 | N | 54.8 | Low | 58 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.7 | -12.2 | 174.9 | -75 | -55.4 | 0 | 0 | 0 | 114.7 | D85 | D85-N89 WeakPolarHBondContact O-CB 3.38Å; D85-N89 PolarHBondContact O-N 2.88Å; D85-N89 PolarHBondContact O-ND2 2.83Å |
| 90 | K | 53.5 | Low | 56.6 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -84.5 | -38.1 | 170.4 | -79.5 | 177.4 | 178.8 | -173.1 | 0 | 111.6 | V86 R87 L88 K93 E94 | V86-K90 WeakPolarHBondContact O-CG 3.49Å; R87-K90 WeakPolarHBondContact O-CB 3.31Å; R87-K90 PolarHBondContact O-N 2.75Å; R87-K90 VanDerWaalsContact O-N 3.14Å; L88-K90 PolarHBondContact O-N 3.5Å; K90-K93 PolarHBondContact O-N 3.21Å; K90-E94 PolarHBondContact O-N 3.44Å |
| 91 | V | 53.6 | Low | 55.3 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 58% | 0.576 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | R87 L88 K93 E94 A95 | R87-V91 PolarHBondContact O-N 2.97Å; L88-V91 PolarHBondContact O-N 3.13Å; V91-K93 VanDerWaalsContact C-N 3.32Å; V91-K93 PolarHBondContact O-N 3.38Å; V91-E94 PolarHBondContact O-N 3.27Å; V91-A95 PolarHBondContact O-N 2.83Å |
| 92 | D | 52.1 | Low | 53.7 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72 | -23.2 | 176.9 | -80 | -24.3 | 0 | 0 | 0 | 114.2 | L88 | L88-D92 PolarHBondContact O-N 2.86Å |
| 93 | K | 51.6 | Low | 52.4 | Low | 160 Ų | 160 | 122.8 Ų | 122.8 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -82 | -26.4 | 175.5 | -87.7 | -178.1 | 175.7 | -179.6 | 0 | 113 | K90 V91 N97 | K90-K93 PolarHBondContact O-N 3.21Å; V91-K93 VanDerWaalsContact C-N 3.32Å; V91-K93 PolarHBondContact O-N 3.38Å; K93-N97 PolarHBondContact O-ND2 3.28Å |
| 94 | E | 50.4 | Low | 51.1 | Low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.6 | -27.9 | 175.3 | -75.2 | 173.5 | -177.4 | 0 | 0 | 111.9 | K90 V91 R96 | K90-E94 PolarHBondContact O-N 3.44Å; V91-E94 PolarHBondContact O-N 3.27Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 3.05Å |
| 95 | A | 51 | Low | 49.9 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -15.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V91 | V91-A95 PolarHBondContact O-N 2.83Š|
| 96 | R | 49 | Very low | 49.5 | Very low | 215 Ų | 215 | 136 Ų | 136 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 4 | -173.9 | -70.7 | -172.7 | 179.7 | -172.4 | 1.6 | 115.5 | E94 | E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 3.05Å |
| 97 | N | 51.7 | Low | 48.7 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | -96 | 12.6 | -175.7 | -63.6 | -37.7 | 0 | 0 | 0 | 115 | K93 | K93-N97 PolarHBondContact O-ND2 3.28Š| ||
| 98 | H | 46.8 | Very low | 48.2 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -105.6 | 78.4 | 172.5 | -70.4 | -66.8 | 0 | 0 | 0 | 110.9 | ||||
| 99 | A | 43.1 | Very low | 47.5 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -147.6 | 129.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 100 | P | 42.2 | Very low | 47 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -79.4 | 132.1 | -170.2 | 30.4 | -31.6 | 0 | 0 | 0 | 112.6 | ||||
| 101 | S | 44.2 | Very low | 46.5 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -2.2 | 114.1 | 152 | 160.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 102 | G | 39.9 | Very low | 46.2 | Very low | 75 Ų | 75 | 153.8 Ų | 153.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -137.7 | 113.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 103 | R | 39.9 | Very low | 45.6 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -51.2 | 141.8 | 179.7 | -68.1 | 176.7 | 171.9 | -161.5 | -2.6 | 113 | ||||
| 104 | R | 46 | Very low | 45.3 | Very low | 248 Ų | 248 | 153.4 Ų | 153.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | -169.8 | 135.8 | 127 | -101.7 | 163.3 | -167.5 | -136.7 | 4.3 | 111.9 | |||||
| 105 | T | 43 | Very low | 45.4 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 139.7 | -177.6 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 106 | S | 50.1 | Low | 45.2 | Very low | 115 Ų | 115 | 156 Ų | 156 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -160.9 | 133.7 | 142.5 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 107 | E | 43 | Very low | 45.2 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -59.8 | 133.7 | 179.8 | -66.5 | 162 | 124.4 | 0 | 0 | 111 | ||||
| 108 | V | 49.3 | Very low | 44.6 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -136.9 | 126.5 | 161.7 | -178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 109 | E | 42.8 | Very low | 44.7 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 147.4 | -168.3 | -64.5 | 177.3 | 133.2 | 0 | 0 | 114.6 | ||
| 110 | R | 43.9 | Very low | 44.9 | Very low | 240 Ų | 240 | 154 Ų | 154 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.1 | 171.9 | -91.2 | -178.2 | 169.5 | 113.3 | -4 | 110.6 | Q112 | R110-Q112 PolarHBondContact O-N 3.33Š|
| 111 | P | 43.2 | Very low | 44.9 | Very low | 119 Ų | 119 | 157.9 Ų | 157.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.3 | 166.7 | 27.2 | -30.6 | 0 | 0 | 0 | 110.4 | T113 | P111-T113 PolarHBondContact O-N 2.73Š|
| 112 | Q | 47.6 | Very low | 45.2 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.7 | 171.9 | -76.4 | 178.8 | -7.8 | 0 | 0 | 110.2 | R110 V114 | R110-Q112 PolarHBondContact O-N 3.33Å; Q112-V114 PolarHBondContact O-N 3.08Å |
| 113 | T | 38.6 | Very low | 45.4 | Very low | 134 Ų | 134 | 163.8 Ų | 163.8 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -80.5 | 113.8 | 174.5 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | P111 | P111-T113 PolarHBondContact O-N 2.73Š| ||
| 114 | V | 45.2 | Very low | 45.5 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -90.7 | 115.5 | 175 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | Q112 | Q112-V114 PolarHBondContact O-N 3.08Š| ||
| 115 | E | 52 | Low | 45.4 | Very low | 163 Ų | 163 | 153 Ų | 153 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -71.5 | 142.6 | 175.1 | -75.5 | -109.9 | 143.2 | 0 | 0 | 111.1 | L117 | E115-L117 PolarHBondContact O-N 2.97Š| ||
| 116 | P | 48.5 | Very low | 45.8 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -71.3 | 125.4 | 176.7 | 28.2 | -31.8 | 0 | 0 | 0 | 111.4 | C118 | P116-C118 PolarHBondContact O-N 2.97Å; P116-C118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | L | 47.8 | Very low | 45.5 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | -53 | 112.3 | 174.2 | -85.6 | 153.5 | 0 | 0 | 0 | 112 | E115 L119 | E115-L117 PolarHBondContact O-N 2.97Å; L117-L119 PolarHBondContact O-N 2.98Å | ||
| 118 | C | 40.3 | Very low | 45.9 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -73.9 | 99.8 | 162.1 | -90.3 | 0 | 0 | 0 | 0 | 109.1 | P116 Q120 | P116-C118 PolarHBondContact O-N 2.97Å; P116-C118 VanDerWaalsContact O-N 3.15Å; C118-Q120 PolarHBondContact O-N 3.42Å; C118-Q120 VanDerWaalsContact O-N 3.13Å | ||
| 119 | L | 47.3 | Very low | 46 | Very low | 121 Ų | 121 | 149 Ų | 149 | 63% | 0.634 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 107.7 | 163.3 | -72.1 | 173.5 | 0 | 0 | 0 | 108.6 | L117 R121 | L117-L119 PolarHBondContact O-N 2.98Å; L119-R121 PolarHBondContact O-N 3.41Å | ||
| 120 | Q | 47.4 | Very low | 46.2 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 131.8 | 170.5 | -72.5 | 176.2 | 6 | 0 | 0 | 109.3 | C118 L122 | C118-Q120 PolarHBondContact O-N 3.42Å; C118-Q120 VanDerWaalsContact O-N 3.13Å; Q120-L122 PolarHBondContact O-N 3.14Å; Q120-L122 VanDerWaalsContact O-N 3.11Å | ||
| 121 | R | 42.3 | Very low | 46.4 | Very low | 213 Ų | 213 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -62.1 | 109.7 | 172.7 | -71.7 | 177.8 | 178.5 | 161.3 | 0.9 | 108.7 | L119 N123 | L119-R121 PolarHBondContact O-N 3.41Å; R121-N123 PolarHBondContact O-N 3.37Å | ||
| 122 | L | 50.7 | Low | 46.7 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -73 | 108.8 | 164 | -75.7 | 170.6 | 0 | 0 | 0 | 108 | Q120 G124 | Q120-L122 PolarHBondContact O-N 3.14Å; Q120-L122 VanDerWaalsContact O-N 3.11Å; L122-G124 PolarHBondContact O-N 3.08Å; L122-G124 VanDerWaalsContact O-N 3.13Å | ||
| 123 | N | 43.5 | Very low | 46.9 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 104.7 | 172.2 | -73.1 | -36.6 | 0 | 0 | 0 | 109.4 | R121 H125 | R121-N123 PolarHBondContact O-N 3.37Å; N123-H125 PolarHBondContact O-N 3.23Å | ||
| 124 | G | 43.9 | Very low | 47.7 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 103.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L122 E126 | L122-G124 PolarHBondContact O-N 3.08Å; L122-G124 VanDerWaalsContact O-N 3.13Å; G124-E126 PolarHBondContact O-N 3.43Å | ||
| 125 | H | 43.4 | Very low | 47.9 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -74.6 | 99.2 | 174.6 | -146.3 | -74.7 | 0 | 0 | 0 | 108.4 | N123 | N123-H125 PolarHBondContact O-N 3.23Š| ||
| 126 | E | 51.3 | Low | 48.6 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -116.6 | 107.1 | 162.7 | -77 | -132.7 | 130.6 | 0 | 0 | 109.5 | G124 | G124-E126 PolarHBondContact O-N 3.43Š| ||
| 127 | A | 44.5 | Very low | 49 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -73.7 | 124.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 128 | S | 51.3 | Low | 49.6 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -164 | 118.9 | 148.5 | -155 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 129 | S | 51.4 | Low | 50.2 | Low | 108 Ų | 108 | 149.6 Ų | 149.6 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 53 | 108.8 | 152.3 | 64.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 130 | R | 46 | Very low | 50.8 | Low | 239 Ų | 239 | 150.8 Ų | 150.8 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -61.2 | 156.1 | 144.9 | -62.6 | 178.7 | 168.3 | 175.1 | -2.9 | 109.2 | ||||
| 131 | P | 49.1 | Very low | 51 | Low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | -148.9 | 159.9 | 87.3 | 35.8 | -15.8 | 0 | 0 | 0 | 116.6 | |||||
| 132 | D | 48.4 | Very low | 51.5 | Low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 79.1 | 134.1 | 142.4 | -62.8 | -23.5 | 0 | 0 | 0 | 124.5 | ||||
| 133 | K | 51.6 | Low | 51.7 | Low | 196 Ų | 196 | 142.5 Ų | 142.5 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 141.8 | 179.8 | -61.5 | -178.1 | 171 | -176 | 0 | 110.3 | ||||
| 134 | A | 55.8 | Low | 52.1 | Low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -140.4 | 104.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | D | 50 | Low | 53.1 | Low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -74.8 | 123.3 | 158.8 | -71.5 | -49.3 | 0 | 0 | 0 | 107.9 | ||||
| 136 | S | 65.3 | Low | 53.5 | Low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 105.8 | 157.6 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 137 | S | 58.3 | Low | 53.9 | Low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -51 | 132.5 | 162.6 | 52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 138 | N | 59.1 | Low | 54.5 | Low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -135.2 | 99.1 | 154.7 | -128.1 | -7.2 | 0 | 0 | 0 | 110.1 | ||||
| 139 | K | 53.9 | Low | 54.3 | Low | 207 Ų | 207 | 144.9 Ų | 144.9 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | trans | -73.2 | 118.4 | 162 | -98.3 | 175.2 | 170.8 | 175 | 0 | 107 | ||||
| 140 | I | 58.7 | Low | 54.2 | Low | 146 Ų | 146 | 144.1 Ų | 144.1 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | trans | -119 | 106.3 | 160.5 | -61.6 | 177.4 | 0 | 0 | 0 | 107.5 | ||||
| 141 | S | 53.7 | Low | 54.2 | Low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -82.4 | 125.3 | 163 | 168.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 142 | G | 51 | Low | 54.7 | Low | 70 Ų | 70 | 144.5 Ų | 144.5 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -154.3 | 79.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 143 | K | 55.5 | Low | 54.8 | Low | 198 Ų | 198 | 142.4 Ų | 142.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 2.7 | 131.7 | 158.8 | -64.8 | 178.1 | 176.4 | 179.1 | 0 | 119.5 | ||||
| 144 | V | 52.6 | Low | 54.8 | Low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -46.5 | 134.1 | 158.6 | -173.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 145 | S | 65 | Low | 54.7 | Low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -145.2 | 120.6 | 148.9 | 61.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 146 | D | 51.3 | Low | 54.9 | Low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -56.7 | 127.5 | 171 | -67.1 | -59.9 | 0 | 0 | 0 | 111.2 | ||||
| 147 | V | 58.5 | Low | 53.9 | Low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -123.2 | 102.2 | 162.7 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 148 | K | 57.3 | Low | 53.8 | Low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -17.4 | 124.9 | 159.1 | -112.4 | 164.9 | 173.3 | 172.7 | 0 | 115.6 | A150 | K148-A150 PolarHBondContact O-N 2.96Š| ||
| 149 | C | 47 | Very low | 53.6 | Low | 134 Ų | 134 | 144.4 Ų | 144.4 | 91% | 0.905 | 81% | 0.812 | S | S | * | * | trans | -53.6 | 122.6 | 151.7 | -74.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 150 | A | 49.2 | Very low | 53.9 | Low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -124 | 103.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K148 S152 | K148-A150 PolarHBondContact O-N 2.96Å; A150-S152 PolarHBondContact O-N 3.35Å | ||
| 151 | R | 46.6 | Very low | 54.2 | Low | 256 Ų | 256 | 137.4 Ų | 137.4 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 108.2 | 167.9 | -171.5 | 178.3 | -174.2 | 176.3 | 0.7 | 106.5 | ||||
| 152 | S | 59.3 | Low | 54.3 | Low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 115.8 | 165.9 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | A150 | A150-S152 PolarHBondContact O-N 3.35Š| ||
| 153 | S | 50.2 | Low | 54.8 | Low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -72.2 | 120.5 | 161.5 | 46.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 154 | F | 52.9 | Low | 54.9 | Low | 172 Ų | 172 | 151 Ų | 151 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | trans | -138.2 | 104.4 | 159.2 | -99.8 | -87.1 | 0 | 0 | 0 | 108.2 | D156 | F154-D156 PolarHBondContact O-N 2.92Š| ||
| 155 | T | 53 | Low | 54.8 | Low | 135 Ų | 135 | 149 Ų | 149 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -69.7 | 108.4 | 155.6 | 46.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 156 | D | 54.7 | Low | 54.7 | Low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -152.4 | 138.5 | 163.5 | -94.2 | -39.3 | 0 | 0 | 0 | 111.3 | F154 | F154-D156 PolarHBondContact O-N 2.92Š| ||
| 157 | G | 44.2 | Very low | 55 | Low | 75 Ų | 75 | 151.6 Ų | 151.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -67.8 | 131.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q159 | G157-Q159 PolarHBondContact O-N 3.01Š| ||
| 158 | I | 56.1 | Low | 54.6 | Low | 166 Ų | 166 | 150.4 Ų | 150.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -95.2 | 96.9 | 163 | -59.2 | -178.1 | 0 | 0 | 0 | 107.8 | A160 | I158-A160 PolarHBondContact O-N 3.33Š| ||
| 159 | Q | 55.5 | Low | 54.6 | Low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -59.9 | 110.1 | 165.1 | -151.6 | 173.4 | 52.3 | 0 | 0 | 108 | G157 | G157-Q159 PolarHBondContact O-N 3.01Š| ||
| 160 | A | 58.8 | Low | 54.8 | Low | 85 Ų | 85 | 150.4 Ų | 150.4 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | trans | -72.5 | 141 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | I158 R162 | I158-A160 PolarHBondContact O-N 3.33Å; A160-R162 PolarHBondContact O-N 3.18Å | ||
| 161 | P | 66.6 | Low | 54.9 | Low | 121 Ų | 121 | 153.3 Ų | 153.3 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -68.2 | 129.4 | -174 | -17.1 | 30.7 | 0 | 0 | 0 | 113.1 | M163 | P161-M163 PolarHBondContact O-N 3.48Š| ||
| 162 | R | 54.5 | Low | 55.4 | Low | 249 Ų | 249 | 149.6 Ų | 149.6 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | trans | -62.5 | 110.4 | 163.5 | -96.3 | 174.5 | 150.3 | 144.9 | -6.8 | 109.5 | A160 | A160-R162 PolarHBondContact O-N 3.18Š| ||
| 163 | M | 62.5 | Low | 54.9 | Low | 178 Ų | 178 | 152.5 Ų | 152.5 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 126.8 | 163.3 | -75.7 | -65.8 | -72.1 | 0 | 0 | 110 | P161 | P161-M163 PolarHBondContact O-N 3.48Š|
| 164 | R | 56.9 | Low | 54.9 | Low | 247 Ų | 247 | 151.5 Ų | 151.5 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 155.7 | -173 | -75.4 | 179.5 | -178 | 158.4 | 0.1 | 112.9 | ||
| 165 | A | 51.1 | Low | 54.6 | Low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 166 | T | 61.9 | Low | 54.6 | Low | 130 Ų | 130 | 154.1 Ų | 154.1 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | trans | -131.2 | 102.3 | 153.2 | 51.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 167 | Q | 58.3 | Low | 54.1 | Low | 181 Ų | 181 | 152.7 Ų | 152.7 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | 54.9 | 94.9 | 106.5 | -62.5 | -177 | 20.9 | 0 | 0 | 111.9 | |||||
| 168 | S | 49.3 | Very low | 54.8 | Low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | 72.8 | 107.9 | 90.4 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 169 | L | 57.9 | Low | 54.4 | Low | 168 Ų | 168 | 156.1 Ų | 156.1 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -165.6 | 62.7 | 156.5 | -103.4 | 171 | 0 | 0 | 0 | 108.9 | ||||
| 170 | D | 50.7 | Low | 54 | Low | 163 Ų | 163 | 151.4 Ų | 151.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -127.2 | 81.9 | 167.3 | -74.5 | -38.9 | 0 | 0 | 0 | 108.2 | ||||
| 171 | N | 52.7 | Low | 53.7 | Low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -139.1 | 104.6 | 163.7 | -89.6 | -29.3 | 0 | 0 | 0 | 105.5 | ||||
| 172 | L | 56.3 | Low | 52.4 | Low | 179 Ų | 179 | 152 Ų | 152 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | trans | -166.9 | 97.5 | 143.6 | -96.3 | 171.4 | 0 | 0 | 0 | 108.3 | ||||
| 173 | N | 49.6 | Very low | 52.1 | Low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -75.4 | 174.2 | 165.1 | -88.9 | -34.4 | 0 | 0 | 0 | 111.1 | ||||
| 174 | A | 50.4 | Low | 51.6 | Low | 93 Ų | 93 | 147.2 Ų | 147.2 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | 90.9 | 96.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 175 | H | 45 | Very low | 51.2 | Low | 190 Ų | 190 | 144.4 Ų | 144.4 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | 60.7 | 85.5 | 65.9 | -134.1 | -70 | 0 | 0 | 0 | 111.6 | |||||
| 176 | E | 53.1 | Low | 50.9 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -146.3 | 100.8 | 162.5 | -161 | 165.6 | -175 | 0 | 0 | 109.7 | ||||
| 177 | S | 45.7 | Very low | 50.1 | Low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -86.4 | 116 | 164.6 | -73.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 178 | L | 57.1 | Low | 49.4 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | trans | -147.3 | 103.7 | 155.1 | -78.4 | 174.7 | 0 | 0 | 0 | 105.9 | ||||
| 179 | E | 48.5 | Very low | 49.2 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 68.6 | 123.1 | 89.8 | -75.8 | -79.6 | 140.1 | 0 | 0 | 113.1 | |||||
| 180 | A | 48.1 | Very low | 48.7 | Very low | 91 Ų | 91 | 148.9 Ų | 148.9 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -43.6 | 134.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 181 | T | 52.4 | Low | 48.4 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -157.3 | 138.1 | 133.7 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | G | 39.5 | Very low | 47.9 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 144.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 183 | S | 48.2 | Very low | 47.4 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -156.2 | 113.6 | 148.3 | -101.6 | 0 | 0 | 0 | 0 | 111.1 | K185 | S183-K185 PolarHBondContact O-N 3.43Š| ||
| 184 | K | 52.1 | Low | 47 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -42.7 | 104.2 | 163.6 | -65.9 | 161.6 | 175.3 | 172 | 0 | 110.2 | ||||
| 185 | K | 47.7 | Very low | 46.8 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -105.1 | 77.7 | 156.3 | -77.4 | -175.2 | -179.8 | 177.7 | 0 | 108.5 | S183 H187 | S183-K185 PolarHBondContact O-N 3.43Å; K185-H187 PolarHBondContact O-N 2.98Å; K185-H187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | S | 43.8 | Very low | 46.9 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -56.6 | 106.6 | 155 | -176.8 | 0 | 0 | 0 | 0 | 106.7 | R188 | S186-R188 PolarHBondContact O-N 3.34Š| ||
| 187 | H | 46 | Very low | 47.2 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -68 | 84.3 | 163.8 | -89.2 | -74.2 | 0 | 0 | 0 | 107.7 | K185 | K185-H187 PolarHBondContact O-N 2.98Å; K185-H187 VanDerWaalsContact O-N 3.13Å | ||
| 188 | R | 43 | Very low | 48.1 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 127.6 | 162.5 | -97.4 | -176.6 | 173.3 | -177.9 | -2.7 | 110 | S186 | S186-R188 PolarHBondContact O-N 3.34Š| ||
| 189 | L | 46.4 | Very low | 48.6 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 101.9 | 135.9 | -53.8 | 169.4 | 0 | 0 | 0 | 118.4 | P191 | L189-P191 HydrophobicContact CD2-CG 3.9Š| ||
| 190 | N | 45.9 | Very low | 49.8 | Very low | 164 Ų | 164 | 131 Ų | 131 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | -141.4 | 84.6 | 125.6 | -102.9 | -36.8 | 0 | 0 | 0 | 109.4 | |||||
| 191 | P | 45.1 | Very low | 50.8 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | trans | -98.3 | 6.4 | 166.1 | 21.6 | -1.7 | 0 | 0 | 0 | 113 | L189 | L189-P191 HydrophobicContact CD2-CG 3.9Š| ||
| 192 | E | 41.6 | Very low | 52.1 | Low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | -112.1 | 78.9 | -177.1 | -74 | -171.3 | 155.6 | 0 | 0 | 112.4 | ||||
| 193 | L | 47.2 | Very low | 54.1 | Low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | trans | -130.8 | 54.8 | 145.5 | -81.2 | 175.6 | 0 | 0 | 0 | 107.9 | S195 | L193-S195 PolarHBondContact O-N 3.45Š| ||
| 194 | T | 39.7 | Very low | 55.9 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -79.2 | 79.6 | 152.6 | 47.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 195 | S | 47.3 | Very low | 57.7 | Low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | trans | -115 | 120.8 | 143.8 | 35.1 | 0 | 0 | 0 | 0 | 103.5 | L193 A197 | L193-S195 PolarHBondContact O-N 3.45Å; S195-A197 PolarHBondContact O-N 3.36Å | ||
| 196 | D | 47 | Very low | 59.7 | Low | 165 Ų | 165 | 115 Ų | 115 | 88% | 0.882 | 63% | 0.627 | S | S | * | * | trans | -56.3 | 86 | 164 | -69.3 | -49.1 | 0 | 0 | 0 | 106.5 | E198 | D196-E198 PolarHBondContact O-N 3.47Š| ||
| 197 | A | 59.5 | Low | 62.1 | Low | 53 Ų | 53 | 113.2 Ų | 113.2 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | trans | -67 | 96 | 173 | 0 | 0 | 0 | 0 | 0 | 104.6 | S195 V199 | S195-A197 PolarHBondContact O-N 3.36Å; A197-V199 PolarHBondContact O-N 3.48Å; A197-V199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | E | 64.7 | Low | 64.3 | Low | 181 Ų | 181 | 109.3 Ų | 109.3 | 85% | 0.846 | 60% | 0.595 | S | S | * | * | trans | -40.8 | 119.1 | 176.3 | -72.4 | 178.6 | 160.4 | 0 | 0 | 108.4 | D196 P200 | D196-E198 PolarHBondContact O-N 3.47Å; E198-P200 WeakPolarHBondContact O-CD 3.46Å; E198-P200 VanDerWaalsContact O-N 3.17Å | ||
| 199 | V | 67.4 | Low | 66.6 | Low | 60 Ų | 60 | 104.4 Ų | 104.4 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 123.3 | 173 | -179.5 | 0 | 0 | 0 | 0 | 106.1 | A197 N201 C203 Y268 | A197-V199 PolarHBondContact O-N 3.48Å; A197-V199 VanDerWaalsContact O-N 3.1Å; V199-N201 PolarHBondContact O-N 3.5Å; V199-C203 HydrophobicContact CG1-CB 4.41Å; V199-C203 WeakPolarHBondContact CG1-O 3.31Å; V199-Y268 HydrophobicContact CB-CE1 4.44Å; V199-Y268 HydrophobicContact CG1-CD1 3.91Å; V199-Y268 HydrophobicContact CG1-CE1 4.15Å; V199-Y268 HydrophobicContact CG2-CE1 4.04Å |
| 200 | P | 72.6 | Confident | 68.9 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -53 | 129.7 | -179.7 | -26.7 | 34.1 | 0 | 0 | 0 | 110.1 | E198 G202 C203 | E198-P200 WeakPolarHBondContact O-CD 3.46Å; E198-P200 VanDerWaalsContact O-N 3.17Å; P200-G202 PolarHBondContact O-N 3.15Å; P200-C203 HydrophobicContact CB-CB 4.35Å; P200-C203 VanDerWaalsContact O-CB 3.28Å; P200-C203 WeakPolarHBondContact O-CB 3.33Å; P200-C203 PolarHBondContact O-N 3.27Å |
| 201 | N | 70.1 | Confident | 71.2 | Confident | 171 Ų | 171 | 96.9 Ų | 96.9 | 91% | 0.914 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 127.1 | -177.1 | -76.4 | -20.3 | 0 | 0 | 0 | 111.4 | V199 | V199-N201 PolarHBondContact O-N 3.5Š|
| 202 | G | 78.6 | Confident | 73.6 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 3.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P200 G271 | P200-G202 PolarHBondContact O-N 3.15Å; G202-G271 PolarHBondContact O-N 3Å |
| 203 | C | 82.8 | Confident | 76.2 | Confident | 36 Ų | 36 | 99.9 Ų | 99.9 | 24% | 0.243 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 151 | 171 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V199 P200 V269 | V199-C203 HydrophobicContact CG1-CB 4.41Å; V199-C203 WeakPolarHBondContact CG1-O 3.31Å; P200-C203 HydrophobicContact CB-CB 4.35Å; P200-C203 VanDerWaalsContact O-CB 3.28Å; P200-C203 WeakPolarHBondContact O-CB 3.33Å; P200-C203 PolarHBondContact O-N 3.27Å; C203-V269 CarbonylContact C-O 3.46Å; C203-V269 WeakPolarHBondContact CA-O 3.3Å |
| 204 | E | 85.9 | Confident | 78.5 | Confident | 137 Ų | 137 | 94 Ų | 94 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.7 | 173.7 | -174.7 | 171.5 | 177.2 | 0 | 0 | 109 | Y268 V269 | E204-Y268 CarbonylContact O-C 3.57Å; E204-Y268 WeakPolarHBondContact O-CA 3.49Å; E204-V269 PolarHBondContact N-O 2.99Å; E204-V269 PolarHBondContact O-N 3.03Å |
| 205 | E | 89.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 89.2 Ų | 89.2 | 31% | 0.308 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.9 | 173.8 | -175 | 172.1 | -171.3 | 0 | 0 | 109.5 | R266 Y268 | E205-R266 WeakPolarHBondContact OE1-CG 3.49Å; E205-R266 IonicContact OE1-CZ 3.55Å; E205-R266 IonicContact OE1-NE 2.76Å; E205-R266 PolarHBondContact OE1-NE 2.75Å; E205-R266 IonicContact OE1-NH2 3.47Å; E205-R266 PolarHBondContact OE1-NH2 3.16Å; E205-R266 IonicContact OE2-CZ 3.51Å; E205-R266 IonicContact OE2-NE 3.51Å; E205-R266 IonicContact OE2-NH2 2.77Å; E205-R266 PolarHBondContact OE2-NH2 2.98Å; E205-Y268 HydrophobicContact CB-CD1 3.89Å; E205-Y268 HydrophobicContact CB-CE1 3.84Å; E205-Y268 HydrophobicContact CG-CD1 4.31Å; E205-Y268 HydrophobicContact CG-CE1 4.03Å |
| 206 | I | 90.5 | Very high | 83.5 | Confident | 20 Ų | 20 | 87.9 Ų | 87.9 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 128.8 | 176.3 | -54.5 | 179.3 | 0 | 0 | 0 | 109.2 | E210 R211 I214 F262 V267 V269 | I206-E210 HydrophobicContact CG2-CB 3.91Å; I206-E210 HydrophobicContact CG2-CG 3.99Å; I206-R211 HydrophobicContact CG2-CB 4.09Å; I206-I214 HydrophobicContact CD1-CD1 4.35Å; I206-I214 HydrophobicContact CG2-CD1 4.42Å; I206-F262 HydrophobicContact CD1-CD1 4.11Å; I206-F262 HydrophobicContact CD1-CE1 3.52Å; I206-V267 HydrophobicContact CD1-CB 4.16Å; I206-V267 HydrophobicContact CD1-CG1 3.83Å; I206-V267 PolarHBondContact N-O 2.93Å; I206-V269 HydrophobicContact CD1-CG2 3.4Å; I206-V269 HydrophobicContact CG1-CG2 3.53Å |
| 207 | P | 92.9 | Very high | 85.9 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -61 | 146 | 175.3 | 22.2 | -29.1 | 0 | 0 | 0 | 111.5 | E209 E210 R211 | P207-E209 VanDerWaalsContact C-N 3.26Å; P207-E209 PolarHBondContact O-N 3.05Å; P207-E210 HydrophobicContact CG-CB 3.8Å; P207-E210 WeakPolarHBondContact CG-OE2 3.3Å; P207-E210 PolarHBondContact O-N 3.08Å; P207-R211 PolarHBondContact O-N 3.43Å |
| 208 | E | 92.3 | Very high | 87.7 | Confident | 102 Ų | 102 | 81.4 Ų | 81.4 | 48% | 0.477 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.3 | -34.3 | -172.8 | 171.9 | 157.5 | -134.7 | 0 | 0 | 113 | R211 R212 | E208-R211 IonicContact OE1-CZ 3.91Å; E208-R211 IonicContact OE1-NH2 2.86Å; E208-R211 PolarHBondContact OE1-NH2 3.4Å; E208-R212 WeakPolarHBondContact O-CB 3.39Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.37Å; E208-R212 PolarHBondContact O-N 3.43Å; E208-R212 PolarHBondContact O-NE 2.9Å |
| 209 | E | 93.2 | Very high | 89.2 | Confident | 101 Ų | 101 | 77 Ų | 77 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 174.4 | -70.1 | 62.3 | -128.9 | 0 | 0 | 111.6 | P207 R212 R213 | P207-E209 VanDerWaalsContact C-N 3.26Å; P207-E209 PolarHBondContact O-N 3.05Å; E209-R212 PolarHBondContact O-N 2.91Å; E209-R212 IonicContact OE1-NH2 2.89Å; E209-R212 PolarHBondContact OE1-NH2 2.65Å; E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 3.16Å; E209-R213 VanDerWaalsContact O-N 3.09Å |
| 210 | E | 93.4 | Very high | 90.6 | Very high | 101 Ų | 101 | 79.9 Ų | 79.9 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | -179.6 | -175.7 | 173.1 | -174.2 | 0 | 0 | 110.9 | I206 P207 R212 R213 I214 | I206-E210 HydrophobicContact CG2-CB 3.91Å; I206-E210 HydrophobicContact CG2-CG 3.99Å; P207-E210 HydrophobicContact CG-CB 3.8Å; P207-E210 WeakPolarHBondContact CG-OE2 3.3Å; P207-E210 PolarHBondContact O-N 3.08Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 3.29Å; E210-R213 WeakPolarHBondContact O-CB 3.41Å; E210-R213 PolarHBondContact O-N 2.87Å; E210-I214 HydrophobicContact CG-CD1 4.06Å; E210-I214 WeakPolarHBondContact O-CG1 3.36Å; E210-I214 PolarHBondContact O-N 2.91Å |
| 211 | R | 94.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 78.5 Ų | 78.5 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -54.9 | -46.8 | 173.7 | -171.8 | -160.4 | 69.3 | -153.6 | -10.3 | 111.1 | I206 P207 E208 R213 I214 V215 F262 K264 R265 V267 | I206-R211 HydrophobicContact CG2-CB 4.09Å; P207-R211 PolarHBondContact O-N 3.43Å; E208-R211 IonicContact OE1-CZ 3.91Å; E208-R211 IonicContact OE1-NH2 2.86Å; E208-R211 PolarHBondContact OE1-NH2 3.4Å; R211-R213 VanDerWaalsContact C-N 3.32Å; R211-R213 PolarHBondContact O-N 3.07Å; R211-I214 PolarHBondContact O-N 3.09Å; R211-V215 VanDerWaalsContact O-CG2 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.49Å; R211-V215 PolarHBondContact O-N 3.39Å; R211-F262 VanDerWaalsContact CD-O 3.29Å; R211-F262 WeakPolarHBondContact CD-O 3.39Å; R211-F262 WeakPolarHBondContact CG-O 3.38Å; R211-K264 WeakPolarHBondContact CD-O 3.44Å; R211-K264 PolarHBondContact NH1-O 2.8Å; R211-K264 VanDerWaalsContact NH1-O 3.1Å; R211-R265 VanDerWaalsContact NH1-CA 3.27Å; R211-R265 PolarHBondContact NH1-O 2.71Å; R211-V267 HydrophobicContact CG-CG2 4.37Å |
| 212 | R | 94.6 | Very high | 93.1 | Very high | 135 Ų | 135 | 71.2 Ų | 71.2 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.7 | -77.8 | -176.7 | -74 | 168.1 | -6.4 | 112.3 | E208 E209 E210 A216 | E208-R212 WeakPolarHBondContact O-CB 3.39Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.37Å; E208-R212 PolarHBondContact O-N 3.43Å; E208-R212 PolarHBondContact O-NE 2.9Å; E209-R212 PolarHBondContact O-N 2.91Å; E209-R212 IonicContact OE1-NH2 2.89Å; E209-R212 PolarHBondContact OE1-NH2 2.65Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 3.29Å; R212-A216 WeakPolarHBondContact O-CB 3.4Å; R212-A216 PolarHBondContact O-N 3.31Å |
| 213 | R | 96 | Very high | 93.9 | Very high | 183 Ų | 183 | 72.5 Ų | 72.5 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 173.8 | -69.1 | 172.8 | -172.7 | 179.4 | 3.1 | 111.1 | E209 E210 R211 V215 A216 S217 | E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 3.16Å; E209-R213 VanDerWaalsContact O-N 3.09Å; E210-R213 WeakPolarHBondContact O-CB 3.41Å; E210-R213 PolarHBondContact O-N 2.87Å; R211-R213 VanDerWaalsContact C-N 3.32Å; R211-R213 PolarHBondContact O-N 3.07Å; R213-V215 PolarHBondContact O-N 3.37Å; R213-A216 PolarHBondContact O-N 2.99Å; R213-S217 PolarHBondContact O-N 3.37Å; R213-S217 PolarHBondContact O-OG 2.97Å |
| 214 | I | 95.5 | Very high | 94.6 | Very high | 40 Ų | 40 | 74.6 Ų | 74.6 | 21% | 0.205 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.8 | -66.3 | 166.8 | 0 | 0 | 0 | 110.7 | I206 E210 R211 A216 S217 I218 F262 | I206-I214 HydrophobicContact CD1-CD1 4.35Å; I206-I214 HydrophobicContact CG2-CD1 4.42Å; E210-I214 HydrophobicContact CG-CD1 4.06Å; E210-I214 WeakPolarHBondContact O-CG1 3.36Å; E210-I214 PolarHBondContact O-N 2.91Å; R211-I214 PolarHBondContact O-N 3.09Å; I214-A216 VanDerWaalsContact C-N 3.33Å; I214-A216 PolarHBondContact O-N 3.16Å; I214-S217 WeakPolarHBondContact O-CB 3.34Å; I214-S217 PolarHBondContact O-N 3.37Å; I214-I218 HydrophobicContact CG2-CD1 3.69Å; I214-I218 HydrophobicContact CG2-CG1 4.31Å; I214-I218 VanDerWaalsContact O-CG1 3.3Å; I214-I218 WeakPolarHBondContact O-CG1 3.44Å; I214-I218 PolarHBondContact O-N 2.85Å; I214-F262 HydrophobicContact CD1-CE1 4.17Å; I214-F262 HydrophobicContact CG2-CD1 3.92Å; I214-F262 HydrophobicContact CG2-CD2 3.85Å; I214-F262 HydrophobicContact CG2-CE1 4.04Å; I214-F262 HydrophobicContact CG2-CE2 3.99Å; I214-F262 HydrophobicContact CG2-CG 3.84Å; I214-F262 HydrophobicContact CG2-CZ 4.09Å |
| 215 | V | 96.7 | Very high | 95.1 | Very high | 28 Ų | 28 | 68.9 Ų | 68.9 | 17% | 0.17 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | R211 R213 I218 H219 Y259 F262 | R211-V215 VanDerWaalsContact O-CG2 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.49Å; R211-V215 PolarHBondContact O-N 3.39Å; R213-V215 PolarHBondContact O-N 3.37Å; V215-I218 PolarHBondContact O-N 2.99Å; V215-H219 WeakPolarHBondContact O-CB 3.38Å; V215-H219 PolarHBondContact O-N 3.39Å; V215-Y259 HydrophobicContact CG1-CD2 4.1Å; V215-Y259 HydrophobicContact CG1-CE2 3.54Å; V215-F262 HydrophobicContact CG2-CB 3.64Å; V215-F262 VanDerWaalsContact CG2-O 3.29Å; V215-F262 WeakPolarHBondContact CG2-O 3.41Å |
| 216 | A | 96.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R212 R213 I214 H219 L220 | R212-A216 WeakPolarHBondContact O-CB 3.4Å; R212-A216 PolarHBondContact O-N 3.31Å; R213-A216 PolarHBondContact O-N 2.99Å; I214-A216 VanDerWaalsContact C-N 3.33Å; I214-A216 PolarHBondContact O-N 3.16Å; A216-H219 PolarHBondContact O-N 2.86Å; A216-L220 WeakPolarHBondContact O-CG 3.29Å; A216-L220 PolarHBondContact O-N 3.31Å |
| 217 | S | 96.7 | Very high | 95.8 | Very high | 67 Ų | 67 | 72.8 Ų | 72.8 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.9 | -66 | 0 | 0 | 0 | 0 | 112.4 | R213 I214 L220 A221 | R213-S217 PolarHBondContact O-N 3.37Å; R213-S217 PolarHBondContact O-OG 2.97Å; I214-S217 WeakPolarHBondContact O-CB 3.34Å; I214-S217 PolarHBondContact O-N 3.37Å; S217-L220 PolarHBondContact O-N 3.42Å; S217-A221 WeakPolarHBondContact O-CB 3.49Å; S217-A221 PolarHBondContact O-N 3.17Å |
| 218 | I | 97.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.9 | -68.8 | 167.9 | 0 | 0 | 0 | 110.2 | I214 V215 L220 A221 I222 L255 A258 Y259 F262 | I214-I218 HydrophobicContact CG2-CD1 3.69Å; I214-I218 HydrophobicContact CG2-CG1 4.31Å; I214-I218 VanDerWaalsContact O-CG1 3.3Å; I214-I218 WeakPolarHBondContact O-CG1 3.44Å; I214-I218 PolarHBondContact O-N 2.85Å; V215-I218 PolarHBondContact O-N 2.99Å; I218-L220 PolarHBondContact O-N 3.27Å; I218-A221 PolarHBondContact O-N 3.48Å; I218-I222 HydrophobicContact CG2-CD1 3.83Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CG1 3.47Å; I218-I222 PolarHBondContact O-N 3.26Å; I218-L255 HydrophobicContact CG2-CB 4.22Å; I218-L255 HydrophobicContact CG2-CD2 4.33Å; I218-L255 WeakPolarHBondContact CG2-O 3.25Å; I218-A258 HydrophobicContact CD1-CB 4.01Å; I218-Y259 HydrophobicContact CG2-CD2 4.15Å; I218-F262 HydrophobicContact CD1-CB 4.46Å; I218-F262 HydrophobicContact CD1-CD2 3.5Å; I218-F262 VanDerWaalsContact CD1-CD2 3.5Å; I218-F262 HydrophobicContact CD1-CE2 4.11Å; I218-F262 HydrophobicContact CD1-CG 4.27Å |
| 219 | H | 96.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 179.2 | -167.9 | 103.2 | 0 | 0 | 0 | 112 | V215 A216 A221 I222 L223 Y259 | V215-H219 WeakPolarHBondContact O-CB 3.38Å; V215-H219 PolarHBondContact O-N 3.39Å; A216-H219 PolarHBondContact O-N 2.86Å; H219-A221 VanDerWaalsContact C-N 3.34Å; H219-A221 PolarHBondContact O-N 3.08Å; H219-I222 PolarHBondContact O-N 3Å; H219-L223 WeakPolarHBondContact O-CG 3.44Å; H219-L223 PolarHBondContact O-N 3.47Å; H219-L223 VanDerWaalsContact O-N 3.08Å; H219-Y259 HydrophobicContact CB-CE2 4.42Å |
| 220 | L | 97.2 | Very high | 95.9 | Very high | 120 Ų | 120 | 69.7 Ų | 69.7 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 175.4 | -71.5 | 173.4 | 0 | 0 | 0 | 112.1 | A216 S217 I218 L223 D224 | A216-L220 WeakPolarHBondContact O-CG 3.29Å; A216-L220 PolarHBondContact O-N 3.31Å; S217-L220 PolarHBondContact O-N 3.42Å; I218-L220 PolarHBondContact O-N 3.27Å; L220-L223 PolarHBondContact O-N 3.46Å; L220-D224 PolarHBondContact O-N 3.12Å |
| 221 | A | 97 | Very high | 95.9 | Very high | 37 Ų | 37 | 72.2 Ų | 72.2 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S217 I218 H219 D224 L225 L255 | S217-A221 WeakPolarHBondContact O-CB 3.49Å; S217-A221 PolarHBondContact O-N 3.17Å; I218-A221 PolarHBondContact O-N 3.48Å; H219-A221 VanDerWaalsContact C-N 3.34Å; H219-A221 PolarHBondContact O-N 3.08Å; A221-D224 PolarHBondContact O-N 3.18Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.93Å; A221-L255 HydrophobicContact CB-CD1 3.76Å |
| 222 | I | 96.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.9 | -69.7 | 168.3 | 0 | 0 | 0 | 110.5 | I218 H219 D224 L225 Y226 L255 E256 | I218-I222 HydrophobicContact CG2-CD1 3.83Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CG1 3.47Å; I218-I222 PolarHBondContact O-N 3.26Å; H219-I222 PolarHBondContact O-N 3Å; I222-D224 VanDerWaalsContact C-N 3.34Å; I222-D224 PolarHBondContact O-N 3.06Å; I222-L225 PolarHBondContact O-N 2.95Å; I222-Y226 HydrophobicContact CG2-CD2 3.59Å; I222-Y226 HydrophobicContact CG2-CE2 3.39Å; I222-Y226 VanDerWaalsContact O-CD2 3.29Å; I222-Y226 WeakPolarHBondContact O-CD2 3.44Å; I222-Y226 PolarHBondContact O-N 3.1Å; I222-L255 HydrophobicContact CD1-CB 4.03Å; I222-L255 HydrophobicContact CG1-CB 3.6Å; I222-L255 HydrophobicContact CG1-CD1 4.12Å; I222-E256 HydrophobicContact CD1-CG 4.12Å |
| 223 | L | 96.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.7 | -68.4 | 177.3 | 0 | 0 | 0 | 112.6 | H219 L220 L225 Y226 S227 | H219-L223 WeakPolarHBondContact O-CG 3.44Å; H219-L223 PolarHBondContact O-N 3.47Å; H219-L223 VanDerWaalsContact O-N 3.08Å; L220-L223 PolarHBondContact O-N 3.46Å; L223-L225 VanDerWaalsContact C-N 3.35Å; L223-Y226 PolarHBondContact O-N 3.01Å; L223-S227 PolarHBondContact O-N 3.43Å |
| 224 | D | 97 | Very high | 95.4 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.6 | -180 | 60.5 | 0 | 0 | 0 | 112 | L220 A221 I222 S227 K228 | L220-D224 PolarHBondContact O-N 3.12Å; A221-D224 PolarHBondContact O-N 3.18Å; I222-D224 VanDerWaalsContact C-N 3.34Å; I222-D224 PolarHBondContact O-N 3.06Å; D224-S227 WeakPolarHBondContact O-CB 3.3Å; D224-S227 PolarHBondContact O-N 2.85Å; D224-K228 WeakPolarHBondContact O-CG 3.34Å; D224-K228 PolarHBondContact O-N 3.48Å; D224-K228 WeakPolarHBondContact OD2-CE 3.44Å; D224-K228 IonicContact OD2-NZ 2.65Å; D224-K228 PolarHBondContact OD2-NZ 3.09Å |
| 225 | L | 96.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 176.1 | -68 | 170.8 | 0 | 0 | 0 | 112.6 | A221 I222 L223 S227 K228 L229 L248 R251 I252 L255 | A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.93Å; I222-L225 PolarHBondContact O-N 2.95Å; L223-L225 VanDerWaalsContact C-N 3.35Å; L225-S227 VanDerWaalsContact C-N 3.26Å; L225-S227 PolarHBondContact O-N 2.99Å; L225-K228 HydrophobicContact CD2-CD 4.26Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 PolarHBondContact O-N 3.21Å; L225-L248 HydrophobicContact CD2-CD2 3.68Å; L225-R251 HydrophobicContact CD1-CB 4.03Å; L225-R251 HydrophobicContact CD1-CG 3.63Å; L225-R251 HydrophobicContact CD2-CG 4.39Å; L225-I252 HydrophobicContact CB-CD1 3.93Å; L225-I252 HydrophobicContact CB-CG1 3.55Å; L225-I252 HydrophobicContact CD1-CG1 3.85Å; L225-I252 HydrophobicContact CG-CG1 4.36Å; L225-L255 HydrophobicContact CD1-CD1 3.54Å |
| 226 | Y | 97 | Very high | 94.7 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 43% | 0.427 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 173 | -82 | -61.4 | 0 | 0 | 0 | 111.9 | I222 L223 L229 G230 I252 E256 | I222-Y226 HydrophobicContact CG2-CD2 3.59Å; I222-Y226 HydrophobicContact CG2-CE2 3.39Å; I222-Y226 VanDerWaalsContact O-CD2 3.29Å; I222-Y226 WeakPolarHBondContact O-CD2 3.44Å; I222-Y226 PolarHBondContact O-N 3.1Å; L223-Y226 PolarHBondContact O-N 3.01Å; Y226-L229 HydrophobicContact CD1-CD2 4.38Å; Y226-L229 PolarHBondContact O-N 2.98Å; Y226-G230 PolarHBondContact O-N 2.91Å; Y226-I252 HydrophobicContact CD1-CD1 3.99Å; Y226-I252 HydrophobicContact CE1-CD1 3.99Å; Y226-I252 HydrophobicContact CE1-CG2 4.46Å; Y226-I252 HydrophobicContact CE2-CG2 4.07Å; Y226-I252 HydrophobicContact CG-CD1 4.3Å; Y226-E256 PolarHBondContact OH-OE1 3.28Å |
| 227 | S | 95.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 77.9 Ų | 77.9 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | L223 D224 L225 L229 G230 H231 | L223-S227 PolarHBondContact O-N 3.43Å; D224-S227 WeakPolarHBondContact O-CB 3.3Å; D224-S227 PolarHBondContact O-N 2.85Å; L225-S227 VanDerWaalsContact C-N 3.26Å; L225-S227 PolarHBondContact O-N 2.99Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.45Å; S227-G230 PolarHBondContact O-N 3.36Å; S227-G230 VanDerWaalsContact O-N 3.16Å; S227-H231 PolarHBondContact O-CD2 3Å; S227-H231 PolarHBondContact O-N 3.26Å |
| 228 | K | 94.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 175.4 | -73.4 | 164.8 | 175.9 | 162.9 | 0 | 112.4 | D224 L225 H231 L232 L248 | D224-K228 WeakPolarHBondContact O-CG 3.34Å; D224-K228 PolarHBondContact O-N 3.48Å; D224-K228 WeakPolarHBondContact OD2-CE 3.44Å; D224-K228 IonicContact OD2-NZ 2.65Å; D224-K228 PolarHBondContact OD2-NZ 3.09Å; L225-K228 HydrophobicContact CD2-CD 4.26Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.32Å; K228-H231 PolarHBondContact O-N 3.42Å; K228-L232 PolarHBondContact O-N 3.48Å; K228-L248 HydrophobicContact CB-CD1 4.05Å; K228-L248 HydrophobicContact CB-CD2 4.12Å; K228-L248 HydrophobicContact CD-CD2 4.29Å |
| 229 | L | 94.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 82 Ų | 82 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.2 | -168.3 | 71.4 | 0 | 0 | 0 | 110.9 | L225 Y226 S227 H231 L232 K245 L248 N249 I252 | L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 PolarHBondContact O-N 3.21Å; Y226-L229 HydrophobicContact CD1-CD2 4.38Å; Y226-L229 PolarHBondContact O-N 2.98Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.45Å; L229-H231 VanDerWaalsContact C-N 3.26Å; L229-H231 PolarHBondContact O-N 3.14Å; L229-L232 HydrophobicContact CD1-CD1 4.08Å; L229-L232 WeakPolarHBondContact O-CB 3.37Å; L229-L232 PolarHBondContact O-N 3.17Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L229-K245 HydrophobicContact CD1-CG 3.86Å; L229-L248 HydrophobicContact CB-CD1 4.5Å; L229-L248 HydrophobicContact CD1-CB 4.21Å; L229-L248 HydrophobicContact CD1-CD1 4.3Å; L229-N249 WeakPolarHBondContact CD2-OD1 3.41Å; L229-I252 HydrophobicContact CD2-CD1 4.47Å |
| 230 | G | 92.7 | Very high | 94 | Very high | 63 Ų | 63 | 80 Ų | 80 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67 | -22.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y226 S227 | Y226-G230 PolarHBondContact O-N 2.91Å; S227-G230 PolarHBondContact O-N 3.36Å; S227-G230 VanDerWaalsContact O-N 3.16Å |
| 231 | H | 92.7 | Very high | 93.8 | Very high | 155 Ų | 155 | 76.3 Ų | 76.3 | 72% | 0.718 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.8 | 173.5 | -76 | -57 | 0 | 0 | 0 | 114.1 | S227 K228 L229 | S227-H231 PolarHBondContact O-CD2 3Å; S227-H231 PolarHBondContact O-N 3.26Å; K228-H231 PolarHBondContact O-N 3.42Å; L229-H231 VanDerWaalsContact C-N 3.26Å; L229-H231 PolarHBondContact O-N 3.14Å |
| 232 | L | 92.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.12 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -67.9 | 146.4 | 172.1 | -65.5 | -177.7 | 0 | 0 | 0 | 110.3 | K228 L229 L241 K244 K245 L248 | K228-L232 PolarHBondContact O-N 3.48Å; L229-L232 HydrophobicContact CD1-CD1 4.08Å; L229-L232 WeakPolarHBondContact O-CB 3.37Å; L229-L232 PolarHBondContact O-N 3.17Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L232-L241 HydrophobicContact CD2-CD2 4.42Å; L232-K244 HydrophobicContact CD2-CD 3.91Å; L232-K244 HydrophobicContact CD2-CG 4.33Å; L232-K245 HydrophobicContact CD1-CB 3.87Å; L232-K245 HydrophobicContact CD1-CG 4.24Å; L232-L248 HydrophobicContact CD1-CD1 4.16Å |
| 233 | P | 92.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 85.6 Ų | 85.6 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | trans | -58.6 | 143.8 | 174 | 26.8 | -35.2 | 0 | 0 | 0 | 110.2 | R235 L241 | P233-R235 CarbonylContact O-C 3.6Å; P233-R235 PolarHBondContact O-N 3.29Å; P233-R235 VanDerWaalsContact O-N 3.12Å; P233-L241 HydrophobicContact CG-CD1 3.52Å; P233-L241 HydrophobicContact CG-CD2 4.02Å; P233-L241 HydrophobicContact CG-CG 4.4Å | ||
| 234 | V | 90.1 | Very high | 93.6 | Very high | 154 Ų | 154 | 86.9 Ų | 86.9 | 93% | 0.933 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -54.6 | -35 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 235 | R | 90.5 | Very high | 93.5 | Very high | 190 Ų | 190 | 87.2 Ų | 87.2 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -94.9 | 122.5 | 172.3 | -69.8 | -172.5 | 179.1 | 171 | -1.3 | 110.1 | P233 | P233-R235 CarbonylContact O-C 3.6Å; P233-R235 PolarHBondContact O-N 3.29Å; P233-R235 VanDerWaalsContact O-N 3.12Å | ||
| 236 | T | 87.6 | Confident | 93.5 | Very high | 31 Ų | 31 | 91.4 Ų | 91.4 | 19% | 0.19 | 48% | 0.479 | C | S | . | . | trans | -112.6 | 55.4 | 178.8 | 44.2 | 0 | 0 | 0 | 0 | 109 | L241 I242 K245 | T236-L241 HydrophobicContact CG2-CB 4.25Å; T236-I242 WeakPolarHBondContact O-CG1 3.32Å; T236-K245 HydrophobicContact CG2-CD 4.28Å | ||
| 237 | D | 89.1 | Confident | 93.5 | Very high | 121 Ų | 121 | 92.1 Ų | 92.1 | 65% | 0.647 | 49% | 0.486 | S | S | * | . | trans | -86.1 | -18.3 | -170.6 | -53.2 | -22.4 | 0 | 0 | 0 | 112.1 | ||||
| 238 | T | 94 | Very high | 93.5 | Very high | 75 Ų | 75 | 90.1 Ų | 90.1 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -88 | 140 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | G240 L241 I242 | T238-G240 PolarHBondContact O-N 3.14Å; T238-G240 VanDerWaalsContact O-N 3.1Å; T238-L241 PolarHBondContact O-N 2.98Å; T238-L241 WeakPolarHBondContact OG1-CB 3.49Å; T238-L241 VanDerWaalsContact OG1-CD1 3.3Å; T238-L241 WeakPolarHBondContact OG1-CD1 3.06Å; T238-L241 WeakPolarHBondContact OG1-CG 3.28Å; T238-I242 WeakPolarHBondContact O-CG1 3.32Å; T238-I242 PolarHBondContact O-N 3.02Å |
| 239 | P | 94.3 | Very high | 93.6 | Very high | 92 Ų | 92 | 88.1 Ų | 88.1 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.6 | -29.8 | -177.7 | 22 | -33.6 | 0 | 0 | 0 | 113.1 | R243 | P239-R243 WeakPolarHBondContact O-CB 3.38Å; P239-R243 VanDerWaalsContact O-CG 3.28Å; P239-R243 WeakPolarHBondContact O-CG 3.34Å; P239-R243 PolarHBondContact O-N 3.45Å |
| 240 | G | 94 | Very high | 93.7 | Very high | 50 Ų | 50 | 90.3 Ų | 90.3 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T238 K244 | T238-G240 PolarHBondContact O-N 3.14Å; T238-G240 VanDerWaalsContact O-N 3.1Å; G240-K244 WeakPolarHBondContact O-CB 3.49Å; G240-K244 PolarHBondContact O-N 3.27Å; G240-K244 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 94.4 | Very high | 94 | Very high | 42 Ų | 42 | 91 Ų | 91 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.5 | -37.1 | 176.5 | -71.8 | 173.2 | 0 | 0 | 0 | 112 | L232 P233 T236 T238 K244 K245 | L232-L241 HydrophobicContact CD2-CD2 4.42Å; P233-L241 HydrophobicContact CG-CD1 3.52Å; P233-L241 HydrophobicContact CG-CD2 4.02Å; P233-L241 HydrophobicContact CG-CG 4.4Å; T236-L241 HydrophobicContact CG2-CB 4.25Å; T238-L241 PolarHBondContact O-N 2.98Å; T238-L241 WeakPolarHBondContact OG1-CB 3.49Å; T238-L241 VanDerWaalsContact OG1-CD1 3.3Å; T238-L241 WeakPolarHBondContact OG1-CD1 3.06Å; T238-L241 WeakPolarHBondContact OG1-CG 3.28Å; L241-K244 PolarHBondContact O-N 3.42Å; L241-K245 WeakPolarHBondContact O-CB 3.5Å; L241-K245 PolarHBondContact O-N 3.47Å |
| 242 | I | 94.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 83.9 Ų | 83.9 | 35% | 0.349 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -53.6 | 174.4 | -63.6 | 171.9 | 0 | 0 | 0 | 109.7 | T236 T238 K244 K245 E246 | T236-I242 WeakPolarHBondContact O-CG1 3.32Å; T238-I242 WeakPolarHBondContact O-CG1 3.32Å; T238-I242 PolarHBondContact O-N 3.02Å; I242-K244 VanDerWaalsContact C-N 3.29Å; I242-K244 PolarHBondContact O-N 3.38Å; I242-K245 WeakPolarHBondContact O-CB 3.44Å; I242-K245 PolarHBondContact O-N 3.4Å; I242-K245 VanDerWaalsContact O-N 3.08Å; I242-E246 HydrophobicContact CG2-CG 4.45Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.36Å; I242-E246 WeakPolarHBondContact O-CG 3.43Å; I242-E246 PolarHBondContact O-N 2.98Å |
| 243 | R | 95.9 | Very high | 94.4 | Very high | 182 Ų | 182 | 87.4 Ų | 87.4 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.2 | -43.1 | 177.7 | -72.8 | 175 | -176 | -173.2 | 1.1 | 112.4 | P239 E246 E247 | P239-R243 WeakPolarHBondContact O-CB 3.38Å; P239-R243 VanDerWaalsContact O-CG 3.28Å; P239-R243 WeakPolarHBondContact O-CG 3.34Å; P239-R243 PolarHBondContact O-N 3.45Å; R243-E246 PolarHBondContact O-N 2.9Å; R243-E247 VanDerWaalsContact O-CB 3.32Å; R243-E247 WeakPolarHBondContact O-CB 3.49Å; R243-E247 PolarHBondContact O-N 3.33Å |
| 244 | K | 95.7 | Very high | 94.7 | Very high | 110 Ų | 110 | 88.8 Ų | 88.8 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 178 | -173.8 | 174 | -179.8 | 179.9 | 0 | 112.3 | L232 G240 L241 I242 L248 | L232-K244 HydrophobicContact CD2-CD 3.91Å; L232-K244 HydrophobicContact CD2-CG 4.33Å; G240-K244 WeakPolarHBondContact O-CB 3.49Å; G240-K244 PolarHBondContact O-N 3.27Å; G240-K244 VanDerWaalsContact O-N 3.09Å; L241-K244 PolarHBondContact O-N 3.42Å; I242-K244 VanDerWaalsContact C-N 3.29Å; I242-K244 PolarHBondContact O-N 3.38Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.18Å; K244-L248 PolarHBondContact O-N 3.34Å |
| 245 | K | 95.3 | Very high | 95 | Very high | 87 Ų | 87 | 82.3 Ų | 82.3 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 176.1 | -174.8 | -175.7 | 176.7 | -178.4 | 0 | 111 | L229 L232 T236 L241 I242 L248 N249 | L229-K245 HydrophobicContact CD1-CG 3.86Å; L232-K245 HydrophobicContact CD1-CB 3.87Å; L232-K245 HydrophobicContact CD1-CG 4.24Å; T236-K245 HydrophobicContact CG2-CD 4.28Å; L241-K245 WeakPolarHBondContact O-CB 3.5Å; L241-K245 PolarHBondContact O-N 3.47Å; I242-K245 WeakPolarHBondContact O-CB 3.44Å; I242-K245 PolarHBondContact O-N 3.4Å; I242-K245 VanDerWaalsContact O-N 3.08Å; K245-L248 PolarHBondContact O-N 3.32Å; K245-N249 WeakPolarHBondContact O-CB 3.49Å; K245-N249 PolarHBondContact O-N 3.04Å |
| 246 | E | 95.9 | Very high | 95.3 | Very high | 105 Ų | 105 | 77.1 Ų | 77.1 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 175.6 | -71.7 | 170.4 | 178.3 | 0 | 0 | 111.5 | I242 R243 L248 N249 N250 | I242-E246 HydrophobicContact CG2-CG 4.45Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.36Å; I242-E246 WeakPolarHBondContact O-CG 3.43Å; I242-E246 PolarHBondContact O-N 2.98Å; R243-E246 PolarHBondContact O-N 2.9Å; E246-L248 PolarHBondContact O-N 3.14Å; E246-N249 PolarHBondContact O-N 3.01Å; E246-N250 WeakPolarHBondContact O-CB 3.38Å; E246-N250 PolarHBondContact O-N 3.24Å; E246-N250 PolarHBondContact O-ND2 3.49Å; E246-N250 PolarHBondContact O-OD1 3.06Å |
| 247 | E | 96.8 | Very high | 95.8 | Very high | 123 Ų | 123 | 81.9 Ų | 81.9 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.5 | -45.8 | 176.4 | -177.9 | -179.4 | -171.5 | 0 | 0 | 112.2 | R243 R251 | R243-E247 VanDerWaalsContact O-CB 3.32Å; R243-E247 WeakPolarHBondContact O-CB 3.49Å; R243-E247 PolarHBondContact O-N 3.33Å; E247-R251 WeakPolarHBondContact O-CB 3.22Å; E247-R251 PolarHBondContact O-N 2.96Å |
| 248 | L | 96.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.7 | -71.5 | 174.4 | 0 | 0 | 0 | 111.8 | L225 K228 L229 L232 K244 K245 E246 R251 I252 | L225-L248 HydrophobicContact CD2-CD2 3.68Å; K228-L248 HydrophobicContact CB-CD1 4.05Å; K228-L248 HydrophobicContact CB-CD2 4.12Å; K228-L248 HydrophobicContact CD-CD2 4.29Å; L229-L248 HydrophobicContact CB-CD1 4.5Å; L229-L248 HydrophobicContact CD1-CB 4.21Å; L229-L248 HydrophobicContact CD1-CD1 4.3Å; L232-L248 HydrophobicContact CD1-CD1 4.16Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.18Å; K244-L248 PolarHBondContact O-N 3.34Å; K245-L248 PolarHBondContact O-N 3.32Å; E246-L248 PolarHBondContact O-N 3.14Å; L248-R251 PolarHBondContact O-N 3.48Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.03Å |
| 249 | N | 96.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 77.6 Ų | 77.6 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 177.6 | -76.2 | -12.5 | 0 | 0 | 0 | 111.8 | L229 K245 E246 R251 I252 E253 | L229-N249 WeakPolarHBondContact CD2-OD1 3.41Å; K245-N249 WeakPolarHBondContact O-CB 3.49Å; K245-N249 PolarHBondContact O-N 3.04Å; E246-N249 PolarHBondContact O-N 3.01Å; N249-R251 PolarHBondContact O-N 2.84Å; N249-I252 WeakPolarHBondContact O-CB 3.49Å; N249-I252 PolarHBondContact O-N 3.46Å; N249-I252 VanDerWaalsContact O-N 3.08Å; N249-E253 WeakPolarHBondContact O-CG 3.31Å; N249-E253 PolarHBondContact O-N 3.44Å |
| 250 | N | 97.4 | Very high | 96.2 | Very high | 87 Ų | 87 | 79.4 Ų | 79.4 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 176.6 | -69.2 | -15 | 0 | 0 | 0 | 111 | E246 E253 E254 | E246-N250 WeakPolarHBondContact O-CB 3.38Å; E246-N250 PolarHBondContact O-N 3.24Å; E246-N250 PolarHBondContact O-ND2 3.49Å; E246-N250 PolarHBondContact O-OD1 3.06Å; N250-E253 PolarHBondContact O-N 3.44Å; N250-E254 WeakPolarHBondContact O-CG 3.3Å; N250-E254 PolarHBondContact O-N 2.9Å |
| 251 | R | 97 | Very high | 96.2 | Very high | 77 Ų | 77 | 81.4 Ų | 81.4 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -35 | 178.3 | -169.7 | 57.9 | 175.8 | -177.1 | 0 | 112.9 | L225 E247 L248 N249 E254 L255 | L225-R251 HydrophobicContact CD1-CB 4.03Å; L225-R251 HydrophobicContact CD1-CG 3.63Å; L225-R251 HydrophobicContact CD2-CG 4.39Å; E247-R251 WeakPolarHBondContact O-CB 3.22Å; E247-R251 PolarHBondContact O-N 2.96Å; L248-R251 PolarHBondContact O-N 3.48Å; N249-R251 PolarHBondContact O-N 2.84Å; R251-E254 VanDerWaalsContact CD-OE2 3.29Å; R251-E254 WeakPolarHBondContact CD-OE2 3.36Å; R251-E254 IonicContact CZ-OE2 3.68Å; R251-E254 IonicContact NE-OE2 3.9Å; R251-E254 IonicContact NH1-OE2 2.73Å; R251-E254 PolarHBondContact NH1-OE2 3.46Å; R251-L255 WeakPolarHBondContact O-CG 3.26Å; R251-L255 PolarHBondContact O-N 3.42Å; R251-L255 VanDerWaalsContact O-N 3.16Å |
| 252 | I | 97.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 81.5 Ų | 81.5 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 172.2 | -70.9 | 164.8 | 0 | 0 | 0 | 109.5 | L225 Y226 L229 L248 N249 E254 L255 E256 | L225-I252 HydrophobicContact CB-CD1 3.93Å; L225-I252 HydrophobicContact CB-CG1 3.55Å; L225-I252 HydrophobicContact CD1-CG1 3.85Å; L225-I252 HydrophobicContact CG-CG1 4.36Å; Y226-I252 HydrophobicContact CD1-CD1 3.99Å; Y226-I252 HydrophobicContact CE1-CD1 3.99Å; Y226-I252 HydrophobicContact CE1-CG2 4.46Å; Y226-I252 HydrophobicContact CE2-CG2 4.07Å; Y226-I252 HydrophobicContact CG-CD1 4.3Å; L229-I252 HydrophobicContact CD2-CD1 4.47Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.03Å; N249-I252 WeakPolarHBondContact O-CB 3.49Å; N249-I252 PolarHBondContact O-N 3.46Å; N249-I252 VanDerWaalsContact O-N 3.08Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-E254 PolarHBondContact O-N 3.37Å; I252-L255 PolarHBondContact O-N 2.88Å; I252-L255 VanDerWaalsContact O-N 3.11Å; I252-E256 HydrophobicContact CG2-CG 4.19Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.38Å; I252-E256 WeakPolarHBondContact O-CG 3.46Å; I252-E256 PolarHBondContact O-N 3.06Å |
| 253 | E | 97.6 | Very high | 96 | Very high | 98 Ų | 98 | 81.4 Ų | 81.4 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 178.9 | -70.1 | 177.2 | -162.7 | 0 | 0 | 112.7 | N249 N250 L255 E256 K257 | N249-E253 WeakPolarHBondContact O-CG 3.31Å; N249-E253 PolarHBondContact O-N 3.44Å; N250-E253 PolarHBondContact O-N 3.44Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.29Å; E253-E256 PolarHBondContact O-N 3.14Å; E253-K257 WeakPolarHBondContact O-CG 3.43Å; E253-K257 PolarHBondContact O-N 3.41Å |
| 254 | E | 97.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 78.6 Ų | 78.6 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 173.9 | -75.6 | 173.6 | -173.5 | 0 | 0 | 112 | N250 R251 I252 K257 A258 | N250-E254 WeakPolarHBondContact O-CG 3.3Å; N250-E254 PolarHBondContact O-N 2.9Å; R251-E254 VanDerWaalsContact CD-OE2 3.29Å; R251-E254 WeakPolarHBondContact CD-OE2 3.36Å; R251-E254 IonicContact CZ-OE2 3.68Å; R251-E254 IonicContact NE-OE2 3.9Å; R251-E254 IonicContact NH1-OE2 2.73Å; R251-E254 PolarHBondContact NH1-OE2 3.46Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-E254 PolarHBondContact O-N 3.37Å; E254-K257 PolarHBondContact O-N 2.9Å; E254-A258 PolarHBondContact O-N 3.13Å |
| 255 | L | 97.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 83.8 Ų | 83.8 | 9% | 0.089 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.1 | -33.8 | 179.5 | -72.7 | 174.5 | 0 | 0 | 0 | 112.5 | I218 A221 I222 L225 R251 I252 E253 A258 Y259 | I218-L255 HydrophobicContact CG2-CB 4.22Å; I218-L255 HydrophobicContact CG2-CD2 4.33Å; I218-L255 WeakPolarHBondContact CG2-O 3.25Å; A221-L255 HydrophobicContact CB-CD1 3.76Å; I222-L255 HydrophobicContact CD1-CB 4.03Å; I222-L255 HydrophobicContact CG1-CB 3.6Å; I222-L255 HydrophobicContact CG1-CD1 4.12Å; L225-L255 HydrophobicContact CD1-CD1 3.54Å; R251-L255 WeakPolarHBondContact O-CG 3.26Å; R251-L255 PolarHBondContact O-N 3.42Å; R251-L255 VanDerWaalsContact O-N 3.16Å; I252-L255 PolarHBondContact O-N 2.88Å; I252-L255 VanDerWaalsContact O-N 3.11Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.29Å; L255-A258 PolarHBondContact O-N 3.22Å; L255-Y259 VanDerWaalsContact O-CB 3.31Å; L255-Y259 WeakPolarHBondContact O-CB 3.23Å; L255-Y259 PolarHBondContact O-N 2.83Å |
| 256 | E | 97.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 85.3 Ų | 85.3 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.2 | -74.7 | 176.5 | 169.4 | 0 | 0 | 111.1 | I222 Y226 I252 E253 Y259 E260 | I222-E256 HydrophobicContact CD1-CG 4.12Å; Y226-E256 PolarHBondContact OH-OE1 3.28Å; I252-E256 HydrophobicContact CG2-CG 4.19Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.38Å; I252-E256 WeakPolarHBondContact O-CG 3.46Å; I252-E256 PolarHBondContact O-N 3.06Å; E253-E256 PolarHBondContact O-N 3.14Å; E256-Y259 WeakPolarHBondContact O-CB 3.24Å; E256-Y259 PolarHBondContact O-N 3.22Å; E256-E260 PolarHBondContact O-N 3.27Å |
| 257 | K | 96.9 | Very high | 95 | Very high | 130 Ų | 130 | 80.8 Ų | 80.8 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 171.2 | -71.2 | 172 | -173.8 | 171.2 | 0 | 111.7 | E253 E254 Y259 E260 I261 | E253-K257 WeakPolarHBondContact O-CG 3.43Å; E253-K257 PolarHBondContact O-N 3.41Å; E254-K257 PolarHBondContact O-N 2.9Å; K257-Y259 VanDerWaalsContact C-N 3.34Å; K257-E260 PolarHBondContact O-N 2.87Å; K257-I261 WeakPolarHBondContact O-CG1 3.33Å; K257-I261 PolarHBondContact O-N 3.46Å; K257-I261 VanDerWaalsContact O-N 3.13Å |
| 258 | A | 95.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 78.4 Ų | 78.4 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I218 E254 L255 E260 I261 F262 | I218-A258 HydrophobicContact CD1-CB 4.01Å; E254-A258 PolarHBondContact O-N 3.13Å; L255-A258 PolarHBondContact O-N 3.22Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.03Å; A258-I261 PolarHBondContact O-N 3.28Å; A258-I261 VanDerWaalsContact O-N 3.15Å; A258-F262 HydrophobicContact CB-CD2 4.38Å; A258-F262 HydrophobicContact CB-CE2 4.46Å; A258-F262 WeakPolarHBondContact O-CD2 3.28Å; A258-F262 PolarHBondContact O-N 3.31Å |
| 259 | Y | 95.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 80.9 Ų | 80.9 | 35% | 0.349 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 176.4 | -175.4 | -91.9 | 0 | 0 | 0 | 111.2 | V215 I218 H219 L255 E256 K257 I261 F262 S263 | V215-Y259 HydrophobicContact CG1-CD2 4.1Å; V215-Y259 HydrophobicContact CG1-CE2 3.54Å; I218-Y259 HydrophobicContact CG2-CD2 4.15Å; H219-Y259 HydrophobicContact CB-CE2 4.42Å; L255-Y259 VanDerWaalsContact O-CB 3.31Å; L255-Y259 WeakPolarHBondContact O-CB 3.23Å; L255-Y259 PolarHBondContact O-N 2.83Å; E256-Y259 WeakPolarHBondContact O-CB 3.24Å; E256-Y259 PolarHBondContact O-N 3.22Å; K257-Y259 VanDerWaalsContact C-N 3.34Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 2.94Å; Y259-F262 PolarHBondContact O-N 3.18Å; Y259-S263 WeakPolarHBondContact O-CB 3.28Å; Y259-S263 PolarHBondContact O-N 3.4Å; Y259-S263 PolarHBondContact O-OG 3.38Å |
| 260 | E | 95.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 88.1 Ų | 88.1 | 60% | 0.603 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 176.4 | -170.5 | -178.8 | 177 | 0 | 0 | 111.7 | E256 K257 A258 S263 | E256-E260 PolarHBondContact O-N 3.27Å; K257-E260 PolarHBondContact O-N 2.87Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.03Å; E260-S263 PolarHBondContact O-OG 3.33Å |
| 261 | I | 93.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 85.8 Ų | 85.8 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64 | -51 | 176.7 | -64.6 | 165 | 0 | 0 | 0 | 110.9 | K257 A258 Y259 S263 K264 V267 | K257-I261 WeakPolarHBondContact O-CG1 3.33Å; K257-I261 PolarHBondContact O-N 3.46Å; K257-I261 VanDerWaalsContact O-N 3.13Å; A258-I261 PolarHBondContact O-N 3.28Å; A258-I261 VanDerWaalsContact O-N 3.15Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 2.94Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 2.91Å; I261-K264 WeakPolarHBondContact O-CB 3.44Å; I261-K264 PolarHBondContact O-N 3.19Å; I261-V267 HydrophobicContact CG2-CG1 4.32Å; I261-V267 WeakPolarHBondContact O-CG2 3.47Å |
| 262 | F | 93.8 | Very high | 91.4 | Very high | 44 Ų | 44 | 90.8 Ų | 90.8 | 19% | 0.193 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76.7 | -14.6 | -175.7 | -70.3 | -72.5 | 0 | 0 | 0 | 114 | I206 R211 I214 V215 I218 A258 Y259 K264 V267 | I206-F262 HydrophobicContact CD1-CD1 4.11Å; I206-F262 HydrophobicContact CD1-CE1 3.52Å; R211-F262 VanDerWaalsContact CD-O 3.29Å; R211-F262 WeakPolarHBondContact CD-O 3.39Å; R211-F262 WeakPolarHBondContact CG-O 3.38Å; I214-F262 HydrophobicContact CD1-CE1 4.17Å; I214-F262 HydrophobicContact CG2-CD1 3.92Å; I214-F262 HydrophobicContact CG2-CD2 3.85Å; I214-F262 HydrophobicContact CG2-CE1 4.04Å; I214-F262 HydrophobicContact CG2-CE2 3.99Å; I214-F262 HydrophobicContact CG2-CG 3.84Å; I214-F262 HydrophobicContact CG2-CZ 4.09Å; V215-F262 HydrophobicContact CG2-CB 3.64Å; V215-F262 VanDerWaalsContact CG2-O 3.29Å; V215-F262 WeakPolarHBondContact CG2-O 3.41Å; I218-F262 HydrophobicContact CD1-CB 4.46Å; I218-F262 HydrophobicContact CD1-CD2 3.5Å; I218-F262 VanDerWaalsContact CD1-CD2 3.5Å; I218-F262 HydrophobicContact CD1-CE2 4.11Å; I218-F262 HydrophobicContact CD1-CG 4.27Å; A258-F262 HydrophobicContact CB-CD2 4.38Å; A258-F262 HydrophobicContact CB-CE2 4.46Å; A258-F262 WeakPolarHBondContact O-CD2 3.28Å; A258-F262 PolarHBondContact O-N 3.31Å; Y259-F262 PolarHBondContact O-N 3.18Å; F262-K264 PolarHBondContact O-N 3.38Å; F262-V267 HydrophobicContact CD1-CG1 3.98Å; F262-V267 HydrophobicContact CD1-CG2 4.43Å; F262-V267 HydrophobicContact CE1-CG1 4Å |
| 263 | S | 91.4 | Very high | 89.5 | Confident | 67 Ų | 67 | 101.4 Ų | 101.4 | 47% | 0.469 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.2 | 173.8 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | Y259 E260 I261 | Y259-S263 WeakPolarHBondContact O-CB 3.28Å; Y259-S263 PolarHBondContact O-N 3.4Å; Y259-S263 PolarHBondContact O-OG 3.38Å; E260-S263 PolarHBondContact O-OG 3.33Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 2.91Å |
| 264 | K | 92.5 | Very high | 87.6 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -68.8 | 151.7 | 179.8 | -63.7 | 179.4 | -178 | 177.9 | 0 | 111.9 | R211 I261 F262 R266 V267 | R211-K264 WeakPolarHBondContact CD-O 3.44Å; R211-K264 PolarHBondContact NH1-O 2.8Å; R211-K264 VanDerWaalsContact NH1-O 3.1Å; I261-K264 WeakPolarHBondContact O-CB 3.44Å; I261-K264 PolarHBondContact O-N 3.19Å; F262-K264 PolarHBondContact O-N 3.38Å; K264-R266 VanDerWaalsContact C-N 3.29Å; K264-R266 PolarHBondContact O-N 2.99Å; K264-V267 HydrophobicContact CB-CG2 4.46Å |
| 265 | R | 90 | Very high | 85.4 | Confident | 219 Ų | 219 | 102.8 Ų | 102.8 | 83% | 0.826 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -63.9 | -29.4 | -177.9 | -171.9 | 176.3 | 178.6 | -167.4 | -1.2 | 113.7 | R211 | R211-R265 VanDerWaalsContact NH1-CA 3.27Å; R211-R265 PolarHBondContact NH1-O 2.71Å |
| 266 | R | 88.5 | Confident | 82.9 | Confident | 119 Ų | 119 | 111.6 Ų | 111.6 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -135.5 | 131.3 | 177.1 | -54.9 | -175.8 | 90.5 | 177.9 | 2.2 | 108.1 | E205 K264 Y268 | E205-R266 WeakPolarHBondContact OE1-CG 3.49Å; E205-R266 IonicContact OE1-CZ 3.55Å; E205-R266 IonicContact OE1-NE 2.76Å; E205-R266 PolarHBondContact OE1-NE 2.75Å; E205-R266 IonicContact OE1-NH2 3.47Å; E205-R266 PolarHBondContact OE1-NH2 3.16Å; E205-R266 IonicContact OE2-CZ 3.51Å; E205-R266 IonicContact OE2-NE 3.51Å; E205-R266 IonicContact OE2-NH2 2.77Å; E205-R266 PolarHBondContact OE2-NH2 2.98Å; K264-R266 VanDerWaalsContact C-N 3.29Å; K264-R266 PolarHBondContact O-N 2.99Å; R266-Y268 HydrophobicContact CB-CE2 4.28Å | ||
| 267 | V | 89.2 | Confident | 80.2 | Confident | 11 Ų | 11 | 115.7 Ų | 115.7 | 7% | 0.067 | 58% | 0.576 | C | S | . | * | trans | -131.8 | 129.2 | -178.1 | -177 | 0 | 0 | 0 | 0 | 107.4 | I206 R211 I261 F262 K264 | I206-V267 HydrophobicContact CD1-CB 4.16Å; I206-V267 HydrophobicContact CD1-CG1 3.83Å; I206-V267 PolarHBondContact N-O 2.93Å; R211-V267 HydrophobicContact CG-CG2 4.37Å; I261-V267 HydrophobicContact CG2-CG1 4.32Å; I261-V267 WeakPolarHBondContact O-CG2 3.47Å; F262-V267 HydrophobicContact CD1-CG1 3.98Å; F262-V267 HydrophobicContact CD1-CG2 4.43Å; F262-V267 HydrophobicContact CE1-CG1 4Å; K264-V267 HydrophobicContact CB-CG2 4.46Å | ||
| 268 | Y | 89.1 | Confident | 79.3 | Confident | 72 Ų | 72 | 115 Ų | 115 | 28% | 0.282 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.8 | -178.4 | -55.7 | -79.3 | 0 | 0 | 0 | 109.4 | V199 E204 E205 R266 | V199-Y268 HydrophobicContact CB-CE1 4.44Å; V199-Y268 HydrophobicContact CG1-CD1 3.91Å; V199-Y268 HydrophobicContact CG1-CE1 4.15Å; V199-Y268 HydrophobicContact CG2-CE1 4.04Å; E204-Y268 CarbonylContact O-C 3.57Å; E204-Y268 WeakPolarHBondContact O-CA 3.49Å; E205-Y268 HydrophobicContact CB-CD1 3.89Å; E205-Y268 HydrophobicContact CB-CE1 3.84Å; E205-Y268 HydrophobicContact CG-CD1 4.31Å; E205-Y268 HydrophobicContact CG-CE1 4.03Å; R266-Y268 HydrophobicContact CB-CE2 4.28Å |
| 269 | V | 87.8 | Confident | 78.5 | Confident | 70 Ų | 70 | 120.1 Ų | 120.1 | 42% | 0.424 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.5 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | C203 E204 I206 G271 | C203-V269 CarbonylContact C-O 3.46Å; C203-V269 WeakPolarHBondContact CA-O 3.3Å; E204-V269 PolarHBondContact N-O 2.99Å; E204-V269 PolarHBondContact O-N 3.03Å; I206-V269 HydrophobicContact CD1-CG2 3.4Å; I206-V269 HydrophobicContact CG1-CG2 3.53Å; V269-G271 PolarHBondContact O-N 2.85Å; V269-G271 VanDerWaalsContact O-N 3.16Å |
| 270 | R | 86.6 | Confident | 77.5 | Confident | 206 Ų | 206 | 121.8 Ų | 121.8 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.7 | 114.3 | 172.9 | -175.7 | 178.2 | -68.9 | -180 | -1.5 | 108.4 | E272 | R270-E272 PolarHBondContact O-N 3.01Å |
| 271 | G | 77.5 | Confident | 76.5 | Confident | 37 Ų | 37 | 121.4 Ų | 121.4 | 38% | 0.381 | 61% | 0.613 | S | S | . | * | trans | -70.7 | 112.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.8 | G202 V269 R273 | G202-G271 PolarHBondContact O-N 3Å; V269-G271 PolarHBondContact O-N 2.85Å; V269-G271 VanDerWaalsContact O-N 3.16Å; G271-R273 PolarHBondContact O-N 3.09Å | ||
| 272 | E | 68.5 | Low | 75.4 | Confident | 183 Ų | 183 | 123.3 Ų | 123.3 | 86% | 0.855 | 62% | 0.622 | S | S | * | * | trans | -70.9 | 81.5 | 163.9 | -67.3 | -176.1 | -178.6 | 0 | 0 | 107.4 | R270 P274 | R270-E272 PolarHBondContact O-N 3.01Å; E272-P274 WeakPolarHBondContact O-CD 3.5Å | ||
| 273 | R | 57.7 | Low | 74.1 | Confident | 228 Ų | 228 | 128.5 Ų | 128.5 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | -67.7 | 119 | 159.5 | -73.3 | -167 | -171.1 | -179.6 | 4.2 | 106 | G271 S275 | G271-R273 PolarHBondContact O-N 3.09Å; R273-S275 VanDerWaalsContact C-N 3.35Å; R273-S275 PolarHBondContact O-N 3.36Å | ||
| 274 | P | 57 | Low | 72.9 | Confident | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -62.4 | 107.7 | 162.2 | 27.5 | -29.8 | 0 | 0 | 0 | 105.2 | E272 E276 | E272-P274 WeakPolarHBondContact O-CD 3.5Å; P274-E276 PolarHBondContact O-N 3.2Å | ||
| 275 | S | 51.7 | Low | 71.4 | Confident | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -59.4 | 109.6 | 165.6 | 54.8 | 0 | 0 | 0 | 0 | 106.2 | R273 A277 | R273-S275 VanDerWaalsContact C-N 3.35Å; R273-S275 PolarHBondContact O-N 3.36Å; S275-A277 PolarHBondContact O-N 3.48Å; S275-A277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | E | 44.8 | Very low | 69.9 | Low | 202 Ų | 202 | 126.7 Ų | 126.7 | 94% | 0.944 | 66% | 0.661 | S | S | * | * | trans | -52.7 | 113.2 | 164.1 | -66.3 | -179.3 | 156.5 | 0 | 0 | 107.9 | P274 | P274-E276 PolarHBondContact O-N 3.2Š| ||
| 277 | A | 39.9 | Very low | 68.2 | Low | 168 Ų | 168 | 127.4 Ų | 127.4 | 100% | 1.388 | 68% | 0.681 | S | S | * | * | trans | -145 | 0 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | S275 | S275-A277 PolarHBondContact O-N 3.48Å; S275-A277 VanDerWaalsContact O-N 3.08Å |
Retrieved 277 of 277 residues in 90.2 ms
(Link to these results)