| 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 | P | 40 | Very low | 40.2 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 100% | 1.195 | 85% | 0.85 | S | S | * | * | 0 | 75 | 0 | 18.2 | 6 | 0 | 0 | 0 | 108.2 | |||||
| 2 | L | 44.3 | Very low | 39.7 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 84% | 0.838 | 85% | 0.845 | S | S | * | * | trans | -145.1 | 156.8 | -173.6 | -84.2 | 166.9 | 0 | 0 | 0 | 105.9 | ||||
| 3 | E | 35 | Very low | 39.8 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | 138.2 | 103.3 | 160 | -78.6 | 164.8 | 176.5 | 0 | 0 | 107.2 | ||||
| 4 | E | 43.6 | Very low | 40.4 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | 53.7 | 125.1 | 77.4 | -70.9 | -173.4 | 169.8 | 0 | 0 | 111.1 | |||||
| 5 | E | 37.1 | Very low | 40.3 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | -170.8 | 153.1 | 83.2 | -105.6 | -179.3 | 132.6 | 0 | 0 | 113.3 | |||||
| 6 | E | 39.3 | Very low | 39.9 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | trans | -69 | 169.1 | 163.2 | -73.6 | -176.3 | 128.4 | 0 | 0 | 114.2 | ||||
| 7 | D | 37 | Very low | 40.1 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 84% | 0.838 | S | S | * | * | trans | -36.4 | 159.7 | 158.8 | -74.6 | -41.5 | 0 | 0 | 0 | 114.1 | ||||
| 8 | P | 53.2 | Low | 40.2 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | -160.4 | -166.2 | 56.8 | 30.5 | -1.2 | 0 | 0 | 0 | 118.2 | |||||
| 9 | V | 36.2 | Very low | 40 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 75% | 0.745 | 83% | 0.833 | S | S | * | * | trans | 115.5 | 108.7 | 141.4 | -178.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 10 | V | 36.2 | Very low | 40.2 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | 71.7 | 114.9 | 130.6 | 174.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 11 | S | 40.3 | Very low | 40.1 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | 19.8 | 131 | 127.2 | 148.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 12 | S | 34.1 | Very low | 40.3 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | 176.8 | 118.4 | 113.5 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 13 | D | 40.7 | Very low | 39.9 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -57.4 | 159.8 | 160 | -115.8 | -35.1 | 0 | 0 | 0 | 111 | ||||
| 14 | P | 48.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -154.5 | 171.7 | 53.2 | 37.6 | -14.3 | 0 | 0 | 0 | 118.3 | |||||
| 15 | Q | 39.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 109.7 | 94.5 | 157.4 | -63.3 | -155.8 | -54 | 0 | 0 | 117.1 | ||||
| 16 | R | 34.3 | Very low | 40.8 | Very low | 253 Ų | 253 | 138.4 Ų | 138.4 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | -151.3 | 111.6 | 125.1 | -124.8 | 175.4 | -173.4 | 177.9 | 2.4 | 113.3 | |||||
| 17 | V | 43.2 | Very low | 41.6 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -22.7 | 125 | 165.8 | -174 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 18 | S | 41.9 | Very low | 42.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -64.9 | 131.4 | 167.5 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | N | 36.5 | Very low | 43.4 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -125.1 | 117.7 | 160.8 | -126.2 | 10 | 0 | 0 | 0 | 108.3 | L21 | N19-L21 PolarHBondContact O-N 3.29Š| ||
| 20 | P | 42.7 | Very low | 45 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -84.1 | 107.6 | 179.1 | 30.3 | -27.8 | 0 | 0 | 0 | 110.2 | I22 | P20-I22 PolarHBondContact O-N 2.97Š| ||
| 21 | L | 38.3 | Very low | 47.2 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 115.8 | 161.2 | -82.7 | 160.4 | 0 | 0 | 0 | 108 | N19 G23 | N19-L21 PolarHBondContact O-N 3.29Å; L21-G23 VanDerWaalsContact C-N 3.3Å; L21-G23 PolarHBondContact O-N 2.92Å | ||
| 22 | I | 44.5 | Very low | 49.3 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 89.5 | 176.4 | -61.4 | 170.9 | 0 | 0 | 0 | 108.2 | P20 G24 | P20-I22 PolarHBondContact O-N 2.97Å; I22-G24 PolarHBondContact O-N 2.99Å | ||
| 23 | G | 36.4 | Very low | 51.5 | Low | 59 Ų | 59 | 138.2 Ų | 138.2 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -78.2 | 97.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L21 T25 | L21-G23 VanDerWaalsContact C-N 3.3Å; L21-G23 PolarHBondContact O-N 2.92Å; G23-T25 PolarHBondContact O-N 2.97Å | ||
| 24 | G | 41.2 | Very low | 53.6 | Low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -63.7 | 85 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I22 M26 | I22-G24 PolarHBondContact O-N 2.99Å; G24-M26 PolarHBondContact O-N 3.01Å | ||
| 25 | T | 45.3 | Very low | 55.3 | Low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -66.5 | 98.1 | 166 | 35.5 | 0 | 0 | 0 | 0 | 107.2 | G23 T27 | G23-T25 PolarHBondContact O-N 2.97Å; T25-T27 PolarHBondContact O-N 3.41Å | ||
| 26 | M | 48.5 | Very low | 57.4 | Low | 182 Ų | 182 | 133.8 Ų | 133.8 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | trans | -59.8 | 95.5 | 162.5 | -78.3 | -85.8 | -87.5 | 0 | 0 | 106.7 | G24 C28 | G24-M26 PolarHBondContact O-N 3.01Å; M26-C28 PolarHBondContact O-N 3.43Å | ||
| 27 | T | 54.7 | Low | 59.8 | Low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.613 | 70% | 0.697 | S | S | * | * | trans | -61.2 | 107.9 | 174 | 62.1 | 0 | 0 | 0 | 0 | 106.6 | T25 R29 | T25-T27 PolarHBondContact O-N 3.41Å; T27-R29 PolarHBondContact O-N 3.39Å | ||
| 28 | C | 58.3 | Low | 61.7 | Low | 130 Ų | 130 | 121.3 Ų | 121.3 | 88% | 0.878 | 68% | 0.68 | S | S | * | * | trans | -66.7 | 79 | 168.2 | 48 | 0 | 0 | 0 | 0 | 107.7 | M26 D30 | M26-C28 PolarHBondContact O-N 3.43Å; C28-D30 PolarHBondContact O-N 3.01Å | ||
| 29 | R | 70.1 | Confident | 63.4 | Low | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | trans | -69.1 | 118 | 175.4 | -127.8 | -179.6 | 173.4 | 97.7 | -0.4 | 106.6 | T27 R31 | T27-R29 PolarHBondContact O-N 3.39Å; R29-R31 HydrophobicContact CB-CG 4.5Å; R29-R31 PolarHBondContact O-N 2.8Å | ||
| 30 | D | 69.8 | Low | 65.6 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | trans | -67.6 | 101.1 | 173.8 | -177.1 | 1.5 | 0 | 0 | 0 | 109.3 | C28 T32 | C28-D30 PolarHBondContact O-N 3.01Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.28Å; D30-T32 PolarHBondContact OD1-N 2.8Å; D30-T32 PolarHBondContact OD1-OG1 2.99Å | ||
| 31 | R | 81.9 | Confident | 67.3 | Low | 159 Ų | 159 | 116.6 Ų | 116.6 | 60% | 0.6 | 64% | 0.644 | S | S | * | * | trans | -95.1 | 14.6 | 178.3 | -63 | -175.9 | 72.1 | -164.1 | -0.4 | 112.4 | R29 L33 E34 F35 | R29-R31 HydrophobicContact CB-CG 4.5Å; R29-R31 PolarHBondContact O-N 2.8Å; R31-L33 PolarHBondContact O-N 3.17Å; R31-E34 HydrophobicContact CB-CB 4.49Å; R31-E34 IonicContact CZ-OE2 3.86Å; R31-E34 VanDerWaalsContact CZ-OE2 3.24Å; R31-E34 IonicContact NE-OE1 3.76Å; R31-E34 IonicContact NE-OE2 3.83Å; R31-E34 PolarHBondContact NE-OE2 3.27Å; R31-E34 IonicContact NH2-OE2 3.76Å; R31-E34 PolarHBondContact NH2-OE2 3.49Å; R31-E34 PolarHBondContact O-N 3.07Å; R31-E34 VanDerWaalsContact O-N 3.15Å; R31-F35 PolarHBondContact O-N 3.19Å | ||
| 32 | T | 84.4 | Confident | 68.8 | Low | 87 Ų | 87 | 113.6 Ų | 113.6 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.9 | -35.3 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | D30 F35 Q36 | D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.28Å; D30-T32 PolarHBondContact OD1-N 2.8Å; D30-T32 PolarHBondContact OD1-OG1 2.99Å; T32-F35 PolarHBondContact O-N 3.42Å; T32-Q36 VanDerWaalsContact O-CB 3.32Å; T32-Q36 WeakPolarHBondContact O-CB 3.36Å; T32-Q36 PolarHBondContact O-N 3.24Å |
| 33 | L | 81 | Confident | 70 | Confident | 130 Ų | 130 | 111.7 Ų | 111.7 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.1 | -39.1 | 177.5 | -65 | 174.6 | 0 | 0 | 0 | 112.9 | R31 Q36 S37 | R31-L33 PolarHBondContact O-N 3.17Å; L33-Q36 PolarHBondContact O-N 3.23Å; L33-S37 WeakPolarHBondContact O-CB 3.28Å; L33-S37 PolarHBondContact O-N 2.77Å; L33-S37 PolarHBondContact O-OG 3.4Å |
| 34 | E | 85.1 | Confident | 71.4 | Confident | 100 Ų | 100 | 111 Ų | 111 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 173.8 | -69.5 | 175.9 | -143 | 0 | 0 | 110.8 | R31 S37 A38 | R31-E34 HydrophobicContact CB-CB 4.49Å; R31-E34 IonicContact CZ-OE2 3.86Å; R31-E34 VanDerWaalsContact CZ-OE2 3.24Å; R31-E34 IonicContact NE-OE1 3.76Å; R31-E34 IonicContact NE-OE2 3.83Å; R31-E34 PolarHBondContact NE-OE2 3.27Å; R31-E34 IonicContact NH2-OE2 3.76Å; R31-E34 PolarHBondContact NH2-OE2 3.49Å; R31-E34 PolarHBondContact O-N 3.07Å; R31-E34 VanDerWaalsContact O-N 3.15Å; E34-S37 WeakPolarHBondContact CA-OG 3.33Å; E34-S37 PolarHBondContact O-OG 3.47Å; E34-A38 WeakPolarHBondContact O-CB 3.48Å; E34-A38 PolarHBondContact O-N 2.89Å |
| 35 | F | 84.2 | Confident | 72.3 | Confident | 145 Ų | 145 | 117.5 Ų | 117.5 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63 | -46.4 | 174.6 | 178.1 | -101.9 | 0 | 0 | 0 | 111.7 | R31 T32 S37 A38 C39 | R31-F35 PolarHBondContact O-N 3.19Å; T32-F35 PolarHBondContact O-N 3.42Å; F35-S37 VanDerWaalsContact C-N 3.33Å; F35-S37 PolarHBondContact O-N 3.07Å; F35-A38 PolarHBondContact O-N 3.07Å; F35-C39 VanDerWaalsContact CZ-SG 3.55Å; F35-C39 PolarHBondContact O-N 3.48Å; F35-C39 PolarHBondContact O-SG 2.87Å; F35-C39 VanDerWaalsContact O-SG 3.34Å |
| 36 | Q | 83.4 | Confident | 72.7 | Confident | 104 Ų | 104 | 118 Ų | 118 | 49% | 0.486 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -36.6 | -178.8 | -160.4 | 178 | 39.2 | 0 | 0 | 112.2 | T32 L33 K40 | T32-Q36 VanDerWaalsContact O-CB 3.32Å; T32-Q36 WeakPolarHBondContact O-CB 3.36Å; T32-Q36 PolarHBondContact O-N 3.24Å; L33-Q36 PolarHBondContact O-N 3.23Å; Q36-K40 WeakPolarHBondContact O-CG 3.45Å; Q36-K40 PolarHBondContact O-N 3.28Å; Q36-K40 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 84.9 | Confident | 73.1 | Confident | 69 Ų | 69 | 117.5 Ų | 117.5 | 48% | 0.483 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.3 | -37.4 | 174 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | L33 E34 F35 K40 S41 | L33-S37 WeakPolarHBondContact O-CB 3.28Å; L33-S37 PolarHBondContact O-N 2.77Å; L33-S37 PolarHBondContact O-OG 3.4Å; E34-S37 WeakPolarHBondContact CA-OG 3.33Å; E34-S37 PolarHBondContact O-OG 3.47Å; F35-S37 VanDerWaalsContact C-N 3.33Å; F35-S37 PolarHBondContact O-N 3.07Å; S37-K40 PolarHBondContact O-N 3.49Å; S37-S41 PolarHBondContact O-N 2.92Å; S37-S41 PolarHBondContact O-OG 3.44Å |
| 38 | A | 81.9 | Confident | 73.1 | Confident | 52 Ų | 52 | 120.4 Ų | 120.4 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.8 | -40.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E34 F35 S41 L42 | E34-A38 WeakPolarHBondContact O-CB 3.48Å; E34-A38 PolarHBondContact O-N 2.89Å; F35-A38 PolarHBondContact O-N 3.07Å; A38-S41 PolarHBondContact O-N 3.19Å; A38-S41 PolarHBondContact O-OG 3.29Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.29Å |
| 39 | C | 78.9 | Confident | 72.9 | Confident | 56 Ų | 56 | 117.4 Ų | 117.4 | 38% | 0.378 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.1 | -44.4 | 174.3 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | F35 L42 Q43 | F35-C39 VanDerWaalsContact CZ-SG 3.55Å; F35-C39 PolarHBondContact O-N 3.48Å; F35-C39 PolarHBondContact O-SG 2.87Å; F35-C39 VanDerWaalsContact O-SG 3.34Å; C39-L42 PolarHBondContact O-N 3.49Å; C39-Q43 WeakPolarHBondContact O-CB 3.46Å; C39-Q43 PolarHBondContact O-N 3.09Å |
| 40 | K | 81.3 | Confident | 72.2 | Confident | 139 Ų | 139 | 113.6 Ų | 113.6 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.5 | -40.3 | 177.2 | -75.8 | 177.5 | -179 | 178.4 | 0 | 112.1 | Q36 S37 Q43 G44 | Q36-K40 WeakPolarHBondContact O-CG 3.45Å; Q36-K40 PolarHBondContact O-N 3.28Å; Q36-K40 VanDerWaalsContact O-N 3.08Å; S37-K40 PolarHBondContact O-N 3.49Å; K40-Q43 PolarHBondContact O-N 3.02Å; K40-G44 PolarHBondContact O-N 3.37Å |
| 41 | S | 78.4 | Confident | 71.7 | Confident | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68 | -36.1 | 177.8 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | S37 A38 G44 R45 | S37-S41 PolarHBondContact O-N 2.92Å; S37-S41 PolarHBondContact O-OG 3.44Å; A38-S41 PolarHBondContact O-N 3.19Å; A38-S41 PolarHBondContact O-OG 3.29Å; S41-G44 PolarHBondContact O-N 2.64Å; S41-R45 PolarHBondContact O-N 3.24Å; S41-R45 VanDerWaalsContact O-N 3.13Å |
| 42 | L | 70.5 | Confident | 70.2 | Confident | 110 Ų | 110 | 113.2 Ų | 113.2 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.2 | -39.6 | 174.7 | -169.2 | 64.7 | 0 | 0 | 0 | 112 | A38 C39 R45 Q46 | A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.29Å; C39-L42 PolarHBondContact O-N 3.49Å; L42-R45 WeakPolarHBondContact O-CB 3.34Å; L42-R45 PolarHBondContact O-N 3.14Å; L42-Q46 PolarHBondContact O-N 3.01Å; L42-Q46 VanDerWaalsContact O-N 3.15Å |
| 43 | Q | 70.9 | Confident | 68.7 | Low | 128 Ų | 128 | 112.6 Ų | 112.6 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.5 | -37.7 | 176.3 | -165.6 | 168.9 | 18.9 | 0 | 0 | 112.1 | C39 K40 R45 Q46 | C39-Q43 WeakPolarHBondContact O-CB 3.46Å; C39-Q43 PolarHBondContact O-N 3.09Å; K40-Q43 PolarHBondContact O-N 3.02Å; Q43-R45 VanDerWaalsContact C-N 3.26Å; Q43-R45 PolarHBondContact O-N 3.19Å; Q43-Q46 PolarHBondContact O-N 3.13Å |
| 44 | G | 64.2 | Low | 67.5 | Low | 46 Ų | 46 | 115 Ų | 115 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.9 | -29.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K40 S41 | K40-G44 PolarHBondContact O-N 3.37Å; S41-G44 PolarHBondContact O-N 2.64Å |
| 45 | R | 59.9 | Low | 65.9 | Low | 208 Ų | 208 | 114.6 Ų | 114.6 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.3 | -28.8 | 174.8 | -119.3 | 175.2 | 170.2 | 176 | -3.6 | 113.5 | S41 L42 Q43 | S41-R45 PolarHBondContact O-N 3.24Å; S41-R45 VanDerWaalsContact O-N 3.13Å; L42-R45 WeakPolarHBondContact O-CB 3.34Å; L42-R45 PolarHBondContact O-N 3.14Å; Q43-R45 VanDerWaalsContact C-N 3.26Å; Q43-R45 PolarHBondContact O-N 3.19Å |
| 46 | Q | 54.8 | Low | 64.5 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.5 | -22.6 | 177.4 | -87.8 | -179.1 | -12.9 | 0 | 0 | 114 | L42 Q43 N48 | L42-Q46 PolarHBondContact O-N 3.01Å; L42-Q46 VanDerWaalsContact O-N 3.15Å; Q43-Q46 PolarHBondContact O-N 3.13Å; Q46-N48 PolarHBondContact O-N 2.81Å |
| 47 | Q | 56.2 | Low | 63.3 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -16.7 | 177.2 | -85.1 | -178.3 | 1.1 | 0 | 0 | 113.9 | ||
| 48 | N | 55.4 | Low | 62.2 | Low | 161 Ų | 161 | 112.1 Ų | 112.1 | 86% | 0.861 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 29.3 | -173.5 | -110.2 | 10.2 | 0 | 0 | 0 | 115.6 | Q46 | Q46-N48 PolarHBondContact O-N 2.81Š|
| 49 | G | 54.3 | Low | 61.2 | Low | 68 Ų | 68 | 111.9 Ų | 111.9 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.5 | 20.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 50 | V | 54.8 | Low | 60.5 | Low | 116 Ų | 116 | 115 Ų | 115 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | trans | -121.3 | 101.8 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 51 | Q | 58.5 | Low | 59.8 | Low | 177 Ų | 177 | 116.5 Ų | 116.5 | 83% | 0.827 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 129.4 | 169.7 | -69.5 | -156 | 21.3 | 0 | 0 | 108.8 | S53 | Q51-S53 PolarHBondContact O-N 3.27Å; Q51-S53 VanDerWaalsContact O-N 3.1Å |
| 52 | P | 52 | Low | 59.2 | Low | 98 Ų | 98 | 117.4 Ų | 117.4 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.9 | 174.2 | 25.3 | -30.7 | 0 | 0 | 0 | 107.6 | K54 | P52-K54 PolarHBondContact O-N 3.1Š|
| 53 | S | 51.8 | Low | 59.1 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 52% | 0.517 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 127 | 178.9 | 76.2 | 0 | 0 | 0 | 0 | 108.9 | Q51 P55 A56 | Q51-S53 PolarHBondContact O-N 3.27Å; Q51-S53 VanDerWaalsContact O-N 3.1Å; S53-P55 WeakPolarHBondContact O-CD 3.39Å; S53-P55 WeakPolarHBondContact OG-CG 2.96Å; S53-A56 PolarHBondContact O-N 2.95Å |
| 54 | K | 55.2 | Low | 59.3 | Low | 181 Ų | 181 | 112.4 Ų | 112.4 | 79% | 0.787 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -42.5 | -33.4 | 174.9 | -67.1 | 175.5 | 177.9 | 175.2 | 0 | 115.1 | P52 A56 | P52-K54 PolarHBondContact O-N 3.1Å; K54-A56 PolarHBondContact O-N 2.89Å |
| 55 | P | 53.4 | Low | 60.2 | Low | 90 Ų | 90 | 114.5 Ų | 114.5 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -29.9 | 176.1 | 19.4 | -32 | 0 | 0 | 0 | 115.4 | S53 H57 N58 A59 | S53-P55 WeakPolarHBondContact O-CD 3.39Å; S53-P55 WeakPolarHBondContact OG-CG 2.96Å; P55-H57 PolarHBondContact O-N 2.76Å; P55-N58 PolarHBondContact O-N 2.92Å; P55-A59 PolarHBondContact O-N 3.47Å |
| 56 | A | 54.4 | Low | 61.5 | Low | 60 Ų | 60 | 104.7 Ų | 104.7 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69 | -35.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S53 K54 A59 L60 | S53-A56 PolarHBondContact O-N 2.95Å; K54-A56 PolarHBondContact O-N 2.89Å; A56-A59 PolarHBondContact O-N 2.67Å; A56-L60 PolarHBondContact O-N 2.93Å |
| 57 | H | 58.5 | Low | 63 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -35 | 177.7 | -115.6 | -77.3 | 0 | 0 | 0 | 112.7 | P55 R61 | P55-H57 PolarHBondContact O-N 2.76Å; H57-R61 WeakPolarHBondContact O-CB 3.01Å; H57-R61 PolarHBondContact O-N 2.79Å |
| 58 | N | 61 | Low | 64.6 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | 177.2 | -77.5 | -18.8 | 0 | 0 | 0 | 111.8 | P55 L60 R61 Q62 | P55-N58 PolarHBondContact O-N 2.92Å; N58-L60 VanDerWaalsContact C-N 3.31Å; N58-L60 PolarHBondContact O-N 2.71Å; N58-R61 PolarHBondContact O-N 3.44Å; N58-Q62 WeakPolarHBondContact O-CB 3.39Å; N58-Q62 VanDerWaalsContact O-CG 3.28Å; N58-Q62 WeakPolarHBondContact O-CG 3.29Å; N58-Q62 PolarHBondContact O-N 3.15Å |
| 59 | A | 61.7 | Low | 66.3 | Low | 46 Ų | 46 | 92.9 Ų | 92.9 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P55 A56 H63 R132 | P55-A59 PolarHBondContact O-N 3.47Å; A56-A59 PolarHBondContact O-N 2.67Å; A59-H63 PolarHBondContact O-N 2.91Å; A59-R132 PolarHBondContact O-NH2 2.82Å |
| 60 | L | 63.8 | Low | 68 | Low | 123 Ų | 123 | 90.1 Ų | 90.1 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74 | -38.3 | 177.2 | -162.8 | 70.1 | 0 | 0 | 0 | 112.3 | A56 N58 H63 S64 | A56-L60 PolarHBondContact O-N 2.93Å; N58-L60 VanDerWaalsContact C-N 3.31Å; N58-L60 PolarHBondContact O-N 2.71Å; L60-H63 PolarHBondContact O-N 3.05Å; L60-S64 PolarHBondContact O-N 3Å; L60-S64 VanDerWaalsContact O-N 3.08Å |
| 61 | R | 66.3 | Low | 69.8 | Low | 169 Ų | 169 | 92.2 Ų | 92.2 | 64% | 0.638 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.8 | -49.1 | 173.1 | -88.4 | -178.9 | 149.5 | -167.4 | -7.1 | 112.1 | H57 N58 H63 S64 D65 | H57-R61 WeakPolarHBondContact O-CB 3.01Å; H57-R61 PolarHBondContact O-N 2.79Å; N58-R61 PolarHBondContact O-N 3.44Å; R61-H63 VanDerWaalsContact C-N 3.25Å; R61-H63 PolarHBondContact O-N 3.06Å; R61-S64 CarbonylContact O-C 3.59Å; R61-S64 WeakPolarHBondContact O-CA 3.21Å; R61-S64 VanDerWaalsContact O-CB 3.27Å; R61-S64 WeakPolarHBondContact O-CB 3.45Å; R61-S64 PolarHBondContact O-N 3.48Å; R61-D65 VanDerWaalsContact O-CG 3.27Å; R61-D65 PolarHBondContact O-N 3.49Å |
| 62 | Q | 66.1 | Low | 71.4 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 179 | -70.9 | 174.4 | 1.3 | 0 | 0 | 112.8 | N58 D65 F66 | N58-Q62 WeakPolarHBondContact O-CB 3.39Å; N58-Q62 VanDerWaalsContact O-CG 3.28Å; N58-Q62 WeakPolarHBondContact O-CG 3.29Å; N58-Q62 PolarHBondContact O-N 3.15Å; Q62-D65 PolarHBondContact O-N 2.96Å; Q62-F66 PolarHBondContact O-N 2.91Å; Q62-F66 VanDerWaalsContact O-N 3.1Å |
| 63 | H | 68.3 | Low | 73.5 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 30% | 0.296 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 171.1 | 179.1 | -92.2 | 0 | 0 | 0 | 111.6 | A59 L60 R61 D65 F66 T67 | A59-H63 PolarHBondContact O-N 2.91Å; L60-H63 PolarHBondContact O-N 3.05Å; R61-H63 VanDerWaalsContact C-N 3.25Å; R61-H63 PolarHBondContact O-N 3.06Å; H63-D65 PolarHBondContact O-N 3.05Å; H63-F66 PolarHBondContact O-N 3.26Å; H63-T67 PolarHBondContact O-N 3.44Å; H63-T67 PolarHBondContact O-OG1 2.89Å; H63-T67 VanDerWaalsContact O-OG1 3.07Å |
| 64 | S | 74.9 | Confident | 75.4 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 49% | 0.49 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.3 | -37.7 | 174.1 | -175 | 0 | 0 | 0 | 0 | 112 | L60 R61 L68 | L60-S64 PolarHBondContact O-N 3Å; L60-S64 VanDerWaalsContact O-N 3.08Å; R61-S64 CarbonylContact O-C 3.59Å; R61-S64 WeakPolarHBondContact O-CA 3.21Å; R61-S64 VanDerWaalsContact O-CB 3.27Å; R61-S64 WeakPolarHBondContact O-CB 3.45Å; R61-S64 PolarHBondContact O-N 3.48Å; S64-L68 VanDerWaalsContact O-CB 3.26Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.95Å |
| 65 | D | 82.9 | Confident | 77.3 | Confident | 89 Ų | 89 | 82.2 Ų | 82.2 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 179.7 | -62.7 | -32.3 | 0 | 0 | 0 | 111.7 | R61 Q62 H63 L68 M69 | R61-D65 VanDerWaalsContact O-CG 3.27Å; R61-D65 PolarHBondContact O-N 3.49Å; Q62-D65 PolarHBondContact O-N 2.96Å; H63-D65 PolarHBondContact O-N 3.05Å; D65-L68 PolarHBondContact O-N 3.15Å; D65-M69 WeakPolarHBondContact O-CB 3.25Å; D65-M69 PolarHBondContact O-N 2.99Å |
| 66 | F | 86.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.009 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 172.4 | 172.6 | -89.8 | 0 | 0 | 0 | 111.3 | Q62 H63 L68 M69 A70 L125 L128 V129 S144 I147 V148 | Q62-F66 PolarHBondContact O-N 2.91Å; Q62-F66 VanDerWaalsContact O-N 3.1Å; H63-F66 PolarHBondContact O-N 3.26Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 2.88Å; F66-M69 PolarHBondContact O-N 3.27Å; F66-A70 HydrophobicContact CE1-CB 4.42Å; F66-A70 WeakPolarHBondContact O-CB 3.46Å; F66-A70 PolarHBondContact O-N 2.91Å; F66-L125 HydrophobicContact CD2-CD1 3.26Å; F66-L125 HydrophobicContact CD2-CG 3.93Å; F66-L125 HydrophobicContact CE2-CD1 3.39Å; F66-L125 HydrophobicContact CE2-CD2 3.92Å; F66-L125 HydrophobicContact CE2-CG 3.51Å; F66-L125 HydrophobicContact CG-CD1 4.12Å; F66-L125 HydrophobicContact CZ-CD1 4.31Å; F66-L125 HydrophobicContact CZ-CD2 4.28Å; F66-L125 HydrophobicContact CZ-CG 4.35Å; F66-L128 HydrophobicContact CB-CD2 4.24Å; F66-L128 HydrophobicContact CD2-CD2 4.32Å; F66-V129 HydrophobicContact CD2-CG2 3.83Å; F66-V129 HydrophobicContact CE2-CG2 3.38Å; F66-V129 HydrophobicContact CZ-CG2 4.28Å; F66-S144 WeakPolarHBondContact CZ-O 3.31Å; F66-I147 HydrophobicContact CE1-CD1 4Å; F66-I147 HydrophobicContact CZ-CB 4.23Å; F66-I147 HydrophobicContact CZ-CG2 4.23Å; F66-V148 HydrophobicContact CE2-CG2 4.1Å; F66-V148 HydrophobicContact CZ-CG2 4.33Å |
| 67 | T | 87.2 | Confident | 81.2 | Confident | 68 Ų | 68 | 77.8 Ų | 77.8 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | H63 K71 | H63-T67 PolarHBondContact O-N 3.44Å; H63-T67 PolarHBondContact O-OG1 2.89Å; H63-T67 VanDerWaalsContact O-OG1 3.07Å; T67-K71 VanDerWaalsContact O-CB 3.3Å; T67-K71 WeakPolarHBondContact O-CB 3.45Å; T67-K71 PolarHBondContact O-N 3.38Å |
| 68 | L | 89.4 | Confident | 82.8 | Confident | 104 Ų | 104 | 76 Ų | 76 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.7 | -174.7 | 68.8 | 0 | 0 | 0 | 111.4 | S64 D65 F66 K71 R72 | S64-L68 VanDerWaalsContact O-CB 3.26Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.95Å; D65-L68 PolarHBondContact O-N 3.15Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 2.88Å; L68-K71 PolarHBondContact O-N 3.32Å; L68-R72 PolarHBondContact O-N 2.77Å |
| 69 | M | 90.1 | Very high | 84.4 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 22% | 0.222 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -46 | 178.3 | -171.9 | 163 | 159.2 | 0 | 0 | 111.4 | D65 F66 K71 R72 I73 Q121 Q124 L125 | D65-M69 WeakPolarHBondContact O-CB 3.25Å; D65-M69 PolarHBondContact O-N 2.99Å; F66-M69 PolarHBondContact O-N 3.27Å; M69-K71 VanDerWaalsContact C-N 3.3Å; M69-K71 PolarHBondContact O-N 2.98Å; M69-R72 PolarHBondContact O-N 3.04Å; M69-R72 VanDerWaalsContact O-N 3.14Å; M69-I73 HydrophobicContact CG-CD1 4.1Å; M69-I73 WeakPolarHBondContact O-CG1 3.44Å; M69-I73 PolarHBondContact O-N 3.23Å; M69-Q121 WeakPolarHBondContact CE-O 3.32Å; M69-Q124 HydrophobicContact CE-CB 3.61Å; M69-L125 HydrophobicContact CB-CD1 4.19Å; M69-L125 HydrophobicContact CE-CB 4.18Å; M69-L125 HydrophobicContact CG-CD1 4.14Å; M69-L125 HydrophobicContact SD-CD1 4.36Å |
| 70 | A | 90.6 | Very high | 85.9 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F66 I73 G74 L125 I147 L151 | F66-A70 HydrophobicContact CE1-CB 4.42Å; F66-A70 WeakPolarHBondContact O-CB 3.46Å; F66-A70 PolarHBondContact O-N 2.91Å; A70-I73 PolarHBondContact O-N 2.67Å; A70-G74 PolarHBondContact O-N 2.88Å; A70-L125 HydrophobicContact CB-CD2 4.18Å; A70-I147 HydrophobicContact CB-CG2 3.98Å; A70-L151 HydrophobicContact CB-CD1 4.48Å |
| 71 | K | 91.9 | Very high | 87.2 | Confident | 160 Ų | 160 | 70.5 Ų | 70.5 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 175.4 | -177.7 | 179.3 | 179.1 | 179.3 | 0 | 112.2 | T67 L68 M69 G74 K75 | T67-K71 VanDerWaalsContact O-CB 3.3Å; T67-K71 WeakPolarHBondContact O-CB 3.45Å; T67-K71 PolarHBondContact O-N 3.38Å; L68-K71 PolarHBondContact O-N 3.32Å; M69-K71 VanDerWaalsContact C-N 3.3Å; M69-K71 PolarHBondContact O-N 2.98Å; K71-G74 PolarHBondContact O-N 3.34Å; K71-K75 PolarHBondContact O-N 3.19Å |
| 72 | R | 93.8 | Very high | 88.3 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.1 | -50.4 | 176.6 | -177.4 | -177.4 | -68.7 | -177.1 | -2.3 | 110.7 | L68 M69 G74 K75 D76 | L68-R72 PolarHBondContact O-N 2.77Å; M69-R72 PolarHBondContact O-N 3.04Å; M69-R72 VanDerWaalsContact O-N 3.14Å; R72-G74 VanDerWaalsContact C-N 3.28Å; R72-G74 PolarHBondContact O-N 3.21Å; R72-K75 WeakPolarHBondContact O-CB 3.25Å; R72-K75 PolarHBondContact O-N 2.68Å; R72-D76 PolarHBondContact O-N 3.08Å |
| 73 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 176.9 | -65.2 | 164.4 | 0 | 0 | 0 | 110.2 | M69 A70 K75 D76 L77 L118 Q121 I122 L125 L151 | M69-I73 HydrophobicContact CG-CD1 4.1Å; M69-I73 WeakPolarHBondContact O-CG1 3.44Å; M69-I73 PolarHBondContact O-N 3.23Å; A70-I73 PolarHBondContact O-N 2.67Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.29Å; I73-D76 PolarHBondContact O-N 3.35Å; I73-L77 WeakPolarHBondContact O-CB 3.25Å; I73-L77 PolarHBondContact O-N 2.92Å; I73-L118 HydrophobicContact CG2-CD2 3.93Å; I73-Q121 HydrophobicContact CD1-CB 3.85Å; I73-Q121 HydrophobicContact CG1-CB 3.8Å; I73-I122 HydrophobicContact CD1-CG1 4.35Å; I73-I122 HydrophobicContact CG2-CD1 4.15Å; I73-I122 HydrophobicContact CG2-CG1 3.82Å; I73-L125 HydrophobicContact CD1-CB 4.35Å; I73-L125 HydrophobicContact CD1-CD2 4.01Å; I73-L151 HydrophobicContact CB-CD1 4.43Å; I73-L151 HydrophobicContact CG2-CD1 4.07Å; I73-L151 HydrophobicContact CG2-CD2 4.2Å |
| 74 | G | 93 | Very high | 90.5 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A70 K71 R72 S78 | A70-G74 PolarHBondContact O-N 2.88Å; K71-G74 PolarHBondContact O-N 3.34Å; R72-G74 VanDerWaalsContact C-N 3.28Å; R72-G74 PolarHBondContact O-N 3.21Å; G74-S78 PolarHBondContact O-N 2.83Å; G74-S78 PolarHBondContact O-OG 3.38Å |
| 75 | K | 94.3 | Very high | 91 | Very high | 141 Ų | 141 | 63.5 Ų | 63.5 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.5 | -46.3 | 176 | -174.8 | -178.6 | 178.1 | -177.1 | 0 | 111.9 | K71 R72 I73 L77 S78 N79 | K71-K75 PolarHBondContact O-N 3.19Å; R72-K75 WeakPolarHBondContact O-CB 3.25Å; R72-K75 PolarHBondContact O-N 2.68Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.29Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.48Å; K75-S78 PolarHBondContact O-N 3.29Å; K75-N79 VanDerWaalsContact O-CG 3.27Å; K75-N79 PolarHBondContact O-N 3.44Å; K75-N79 PolarHBondContact O-ND2 2.97Å |
| 76 | D | 95 | Very high | 91.2 | Very high | 52 Ų | 52 | 64 Ų | 64 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 180 | -67.8 | -13.7 | 0 | 0 | 0 | 110.9 | R72 I73 N79 T80 L118 | R72-D76 PolarHBondContact O-N 3.08Å; I73-D76 PolarHBondContact O-N 3.35Å; D76-N79 PolarHBondContact O-N 3.22Å; D76-T80 WeakPolarHBondContact O-CB 3.29Å; D76-T80 PolarHBondContact O-N 3.02Å; D76-T80 PolarHBondContact O-OG1 2.97Å; D76-L118 HydrophobicContact CB-CD2 3.78Å |
| 77 | L | 93.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | 173.1 | -169.7 | 74.7 | 0 | 0 | 0 | 111.6 | I73 K75 N79 T80 F81 L118 L151 K154 L155 M158 | I73-L77 WeakPolarHBondContact O-CB 3.25Å; I73-L77 PolarHBondContact O-N 2.92Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.48Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 2.92Å; L77-T80 PolarHBondContact O-N 3.25Å; L77-F81 HydrophobicContact CD1-CE2 4.25Å; L77-F81 HydrophobicContact CD2-CE2 4.35Å; L77-F81 HydrophobicContact CG-CD2 4.08Å; L77-F81 HydrophobicContact CG-CE2 3.92Å; L77-F81 WeakPolarHBondContact O-CD2 3.5Å; L77-F81 PolarHBondContact O-N 3.21Å; L77-L118 HydrophobicContact CB-CD1 4.5Å; L77-L118 HydrophobicContact CB-CD2 4.33Å; L77-L118 HydrophobicContact CD1-CD1 3.95Å; L77-L151 HydrophobicContact CD2-CD2 4.33Å; L77-K154 HydrophobicContact CD2-CB 3.6Å; L77-K154 HydrophobicContact CD2-CD 3.95Å; L77-K154 HydrophobicContact CD2-CG 4.45Å; L77-L155 HydrophobicContact CD1-CB 4.33Å; L77-L155 HydrophobicContact CD1-CD1 4.15Å; L77-M158 HydrophobicContact CD1-CE 3.38Å; L77-M158 HydrophobicContact CD1-SD 4.16Å; L77-M158 HydrophobicContact CG-CE 3.82Å; L77-M158 WeakPolarHBondContact O-CE 3.38Å |
| 78 | S | 92.4 | Very high | 91 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | G74 K75 T80 F81 A82 | G74-S78 PolarHBondContact O-N 2.83Å; G74-S78 PolarHBondContact O-OG 3.38Å; K75-S78 PolarHBondContact O-N 3.29Å; S78-T80 VanDerWaalsContact C-N 3.33Å; S78-T80 PolarHBondContact O-N 3.07Å; S78-F81 PolarHBondContact O-N 3.35Å; S78-A82 PolarHBondContact O-N 3.45Å; S78-A82 VanDerWaalsContact O-N 3.11Å |
| 79 | N | 94.4 | Very high | 90.7 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.2 | -69.8 | -22.4 | 0 | 0 | 0 | 111.7 | K75 D76 L77 A82 K83 | K75-N79 VanDerWaalsContact O-CG 3.27Å; K75-N79 PolarHBondContact O-N 3.44Å; K75-N79 PolarHBondContact O-ND2 2.97Å; D76-N79 PolarHBondContact O-N 3.22Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 2.92Å; N79-A82 PolarHBondContact O-N 2.99Å; N79-K83 WeakPolarHBondContact O-CG 3.43Å; N79-K83 PolarHBondContact O-N 3.23Å; N79-K83 VanDerWaalsContact O-N 3.17Å |
| 80 | T | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 179 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | D76 L77 S78 A82 K83 L84 I111 D114 I115 M158 | D76-T80 WeakPolarHBondContact O-CB 3.29Å; D76-T80 PolarHBondContact O-N 3.02Å; D76-T80 PolarHBondContact O-OG1 2.97Å; L77-T80 PolarHBondContact O-N 3.25Å; S78-T80 VanDerWaalsContact C-N 3.33Å; S78-T80 PolarHBondContact O-N 3.07Å; T80-A82 VanDerWaalsContact C-N 3.34Å; T80-A82 PolarHBondContact O-N 3.1Å; T80-K83 PolarHBondContact O-N 3.49Å; T80-L84 WeakPolarHBondContact O-CB 3.37Å; T80-L84 PolarHBondContact O-N 3.26Å; T80-I111 HydrophobicContact CG2-CG1 4.41Å; T80-I111 HydrophobicContact CG2-CG2 4.15Å; T80-D114 HydrophobicContact CG2-CB 3.72Å; T80-D114 WeakPolarHBondContact OG1-CB 3.35Å; T80-I115 HydrophobicContact CG2-CG1 4.46Å; T80-M158 HydrophobicContact CG2-CE 4.13Å; T80-M158 HydrophobicContact CG2-SD 3.48Å; T80-M158 WeakPolarHBondContact CG2-SD 3.44Å |
| 81 | F | 90.9 | Very high | 89.7 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 172.1 | -92.2 | -63.3 | 0 | 0 | 0 | 112.1 | L77 S78 K83 L84 E85 M158 | L77-F81 HydrophobicContact CD1-CE2 4.25Å; L77-F81 HydrophobicContact CD2-CE2 4.35Å; L77-F81 HydrophobicContact CG-CD2 4.08Å; L77-F81 HydrophobicContact CG-CE2 3.92Å; L77-F81 WeakPolarHBondContact O-CD2 3.5Å; L77-F81 PolarHBondContact O-N 3.21Å; S78-F81 PolarHBondContact O-N 3.35Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 2.92Å; F81-L84 WeakPolarHBondContact O-CB 3.42Å; F81-L84 PolarHBondContact O-N 2.64Å; F81-E85 PolarHBondContact O-N 2.9Å; F81-M158 HydrophobicContact CB-CE 4.08Å; F81-M158 HydrophobicContact CD1-CB 4.4Å; F81-M158 HydrophobicContact CD1-CE 3.92Å; F81-M158 HydrophobicContact CD1-CG 4.25Å; F81-M158 HydrophobicContact CD2-CE 3.12Å; F81-M158 HydrophobicContact CE1-CB 3.69Å; F81-M158 HydrophobicContact CE1-CE 4.13Å; F81-M158 HydrophobicContact CE1-CG 4.02Å; F81-M158 HydrophobicContact CE2-CB 4.15Å; F81-M158 HydrophobicContact CE2-CE 3.37Å; F81-M158 HydrophobicContact CG-CE 3.42Å; F81-M158 VanDerWaalsContact CG-CE 3.42Å; F81-M158 HydrophobicContact CZ-CB 3.54Å; F81-M158 HydrophobicContact CZ-CE 3.89Å; F81-M158 HydrophobicContact CZ-CG 4.22Å |
| 82 | A | 89.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S78 N79 T80 E85 K86 | S78-A82 PolarHBondContact O-N 3.45Å; S78-A82 VanDerWaalsContact O-N 3.11Å; N79-A82 PolarHBondContact O-N 2.99Å; T80-A82 VanDerWaalsContact C-N 3.34Å; T80-A82 PolarHBondContact O-N 3.1Å; A82-E85 PolarHBondContact O-N 3.43Å; A82-K86 PolarHBondContact O-N 3.31Å; A82-K86 VanDerWaalsContact O-N 3.12Å |
| 83 | K | 91.1 | Very high | 87.6 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.3 | -65.6 | 174.3 | -166.3 | 166.8 | 0 | 111.4 | N79 T80 F81 K86 L87 L107 I110 I111 D114 | N79-K83 WeakPolarHBondContact O-CG 3.43Å; N79-K83 PolarHBondContact O-N 3.23Å; N79-K83 VanDerWaalsContact O-N 3.17Å; T80-K83 PolarHBondContact O-N 3.49Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 2.92Å; K83-K86 WeakPolarHBondContact O-CB 3.46Å; K83-K86 PolarHBondContact O-N 3.27Å; K83-L87 PolarHBondContact O-N 2.97Å; K83-L107 HydrophobicContact CB-CD2 4.25Å; K83-I110 HydrophobicContact CD-CG2 3.72Å; K83-I110 VanDerWaalsContact NZ-CG2 3.34Å; K83-I111 HydrophobicContact CB-CD1 4.12Å; K83-I111 HydrophobicContact CB-CG1 3.97Å; K83-D114 IonicContact NZ-OD2 3.04Å; K83-D114 PolarHBondContact NZ-OD2 3.39Å |
| 84 | L | 90.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.6 | 176.3 | 59.6 | 0 | 0 | 0 | 112 | T80 F81 L87 T88 I111 M158 D161 F162 V165 | T80-L84 WeakPolarHBondContact O-CB 3.37Å; T80-L84 PolarHBondContact O-N 3.26Å; F81-L84 WeakPolarHBondContact O-CB 3.42Å; F81-L84 PolarHBondContact O-N 2.64Å; L84-L87 HydrophobicContact CD1-CD2 4.49Å; L84-L87 PolarHBondContact O-N 3.39Å; L84-T88 WeakPolarHBondContact O-CB 3.48Å; L84-T88 PolarHBondContact O-N 3.17Å; L84-T88 PolarHBondContact O-OG1 3.47Å; L84-I111 HydrophobicContact CB-CD1 4.16Å; L84-I111 HydrophobicContact CD1-CD1 4.43Å; L84-M158 HydrophobicContact CD2-CG 3.77Å; L84-M158 WeakPolarHBondContact CD2-O 3.31Å; L84-D161 HydrophobicContact CD2-CB 3.78Å; L84-F162 HydrophobicContact CD1-CB 3.8Å; L84-F162 HydrophobicContact CD1-CD2 3.79Å; L84-F162 HydrophobicContact CD1-CG 4.23Å; L84-F162 HydrophobicContact CD2-CB 4.24Å; L84-V165 HydrophobicContact CD1-CG2 4.34Å |
| 85 | E | 85.4 | Confident | 84.5 | Confident | 130 Ų | 130 | 67.2 Ų | 67.2 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 173.9 | -174.7 | 176.7 | -166.8 | 0 | 0 | 110.9 | F81 A82 L87 T88 I89 | F81-E85 PolarHBondContact O-N 2.9Å; A82-E85 PolarHBondContact O-N 3.43Å; E85-L87 PolarHBondContact O-N 3.34Å; E85-T88 VanDerWaalsContact O-CB 3.31Å; E85-T88 WeakPolarHBondContact O-CB 3.29Å; E85-T88 PolarHBondContact O-N 2.88Å; E85-T88 VanDerWaalsContact O-N 3.14Å; E85-I89 HydrophobicContact CG-CD1 4.43Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å |
| 86 | K | 85.6 | Confident | 82.6 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.2 | -172 | -179 | 176.7 | -166.4 | 0 | 111.9 | A82 K83 T88 I89 L90 E103 L107 | A82-K86 PolarHBondContact O-N 3.31Å; A82-K86 VanDerWaalsContact O-N 3.12Å; K83-K86 WeakPolarHBondContact O-CB 3.46Å; K83-K86 PolarHBondContact O-N 3.27Å; K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 2.92Å; K86-I89 PolarHBondContact O-N 2.98Å; K86-L90 HydrophobicContact CG-CD1 4.48Å; K86-L90 WeakPolarHBondContact O-CG 2.99Å; K86-L90 PolarHBondContact O-N 2.98Å; K86-L90 VanDerWaalsContact O-N 3.08Å; K86-E103 WeakPolarHBondContact CE-OE1 3.29Å; K86-E103 IonicContact NZ-OE1 2.64Å; K86-E103 PolarHBondContact NZ-OE1 2.82Å; K86-L107 HydrophobicContact CD-CD1 4.22Å; K86-L107 HydrophobicContact CG-CD1 4.22Å |
| 87 | L | 87.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 174.9 | -179.2 | 67 | 0 | 0 | 0 | 111.4 | K83 L84 E85 I89 L90 A91 I104 L107 I111 F162 V165 | K83-L87 PolarHBondContact O-N 2.97Å; L84-L87 HydrophobicContact CD1-CD2 4.49Å; L84-L87 PolarHBondContact O-N 3.39Å; E85-L87 PolarHBondContact O-N 3.34Å; L87-I89 VanDerWaalsContact C-N 3.34Å; L87-I89 PolarHBondContact O-N 3.23Å; L87-L90 PolarHBondContact O-N 2.89Å; L87-A91 VanDerWaalsContact O-CB 3.31Å; L87-A91 WeakPolarHBondContact O-CB 3.35Å; L87-A91 PolarHBondContact O-N 3.34Å; L87-I104 HydrophobicContact CD1-CB 4.23Å; L87-I104 HydrophobicContact CD1-CG1 4.37Å; L87-I104 HydrophobicContact CD1-CG2 3.83Å; L87-L107 HydrophobicContact CB-CB 4.39Å; L87-L107 HydrophobicContact CB-CD1 4.34Å; L87-L107 HydrophobicContact CD1-CB 3.99Å; L87-L107 HydrophobicContact CD1-CD1 4.49Å; L87-I111 HydrophobicContact CB-CD1 4.1Å; L87-I111 HydrophobicContact CD2-CD1 3.78Å; L87-F162 HydrophobicContact CD2-CD2 3.89Å; L87-F162 HydrophobicContact CD2-CE2 3.61Å; L87-V165 HydrophobicContact CD2-CG1 4.04Å; L87-V165 HydrophobicContact CG-CG1 3.86Å |
| 88 | T | 83.6 | Confident | 79.1 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L84 E85 K86 K92 V165 | L84-T88 WeakPolarHBondContact O-CB 3.48Å; L84-T88 PolarHBondContact O-N 3.17Å; L84-T88 PolarHBondContact O-OG1 3.47Å; E85-T88 VanDerWaalsContact O-CB 3.31Å; E85-T88 WeakPolarHBondContact O-CB 3.29Å; E85-T88 PolarHBondContact O-N 2.88Å; E85-T88 VanDerWaalsContact O-N 3.14Å; K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 2.92Å; T88-K92 HydrophobicContact CG2-CD 3.99Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.3Å; T88-V165 HydrophobicContact CG2-CG2 3.98Å; T88-V165 WeakPolarHBondContact OG1-CG2 3.33Å |
| 89 | I | 83.3 | Confident | 77.9 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 177.1 | -66.1 | 164.7 | 0 | 0 | 0 | 110.4 | E85 K86 L87 R93 | E85-I89 HydrophobicContact CG-CD1 4.43Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å; K86-I89 PolarHBondContact O-N 2.98Å; L87-I89 VanDerWaalsContact C-N 3.34Å; L87-I89 PolarHBondContact O-N 3.23Å; I89-R93 PolarHBondContact O-N 3.45Å |
| 90 | L | 81.3 | Confident | 77.1 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 178.8 | -68.6 | 172.7 | 0 | 0 | 0 | 112.2 | K86 L87 K92 R93 K100 E103 I104 L107 | K86-L90 HydrophobicContact CG-CD1 4.48Å; K86-L90 WeakPolarHBondContact O-CG 2.99Å; K86-L90 PolarHBondContact O-N 2.98Å; K86-L90 VanDerWaalsContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 2.89Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.29Å; L90-R93 PolarHBondContact O-N 2.86Å; L90-K100 HydrophobicContact CD2-CD 4.22Å; L90-E103 HydrophobicContact CD1-CB 4.5Å; L90-E103 HydrophobicContact CD1-CG 3.91Å; L90-I104 HydrophobicContact CB-CD1 4.2Å; L90-I104 HydrophobicContact CB-CG1 3.88Å; L90-I104 HydrophobicContact CD1-CG1 4.36Å; L90-L107 HydrophobicContact CD1-CD1 3.72Å |
| 91 | A | 77.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -29 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L87 V165 R169 | L87-A91 VanDerWaalsContact O-CB 3.31Å; L87-A91 WeakPolarHBondContact O-CB 3.35Å; L87-A91 PolarHBondContact O-N 3.34Å; A91-V165 HydrophobicContact CB-CG1 3.67Å; A91-R169 HydrophobicContact CB-CB 4.37Å |
| 92 | K | 73.3 | Confident | 75.9 | Confident | 138 Ų | 138 | 78 Ų | 78 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -81.9 | -18 | 176.3 | -74.5 | 178.6 | 176.3 | 176.2 | 0 | 113.6 | T88 L90 K94 | T88-K92 HydrophobicContact CG2-CD 3.99Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.3Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.29Å; K92-K94 PolarHBondContact O-N 2.91Å; K92-K94 VanDerWaalsContact O-N 3.1Å |
| 93 | R | 69.5 | Low | 75.8 | Confident | 138 Ų | 138 | 77.3 Ų | 77.3 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | trans | -68.4 | 108 | 175.7 | -90.4 | 177.6 | 69.7 | 95.4 | -8.6 | 109.8 | I89 L90 S95 D98 | I89-R93 PolarHBondContact O-N 3.45Å; L90-R93 PolarHBondContact O-N 2.86Å; R93-S95 PolarHBondContact O-N 3.49Å; R93-D98 IonicContact CZ-OD2 2.78Å; R93-D98 IonicContact NH2-OD2 2.99Å; R93-D98 PolarHBondContact NH2-OD2 2.92Å | ||
| 94 | K | 63 | Low | 75.5 | Confident | 159 Ų | 159 | 74.5 Ų | 74.5 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | trans | -81 | 38.1 | 176.4 | -61.6 | -173.6 | 178.6 | -174.7 | 0 | 113.4 | K92 | K92-K94 PolarHBondContact O-N 2.91Å; K92-K94 VanDerWaalsContact O-N 3.1Å | ||
| 95 | S | 59 | Low | 75.3 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -85.9 | 124 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | R93 F97 D98 | R93-S95 PolarHBondContact O-N 3.49Å; S95-F97 VanDerWaalsContact C-N 3.32Å; S95-D98 PolarHBondContact OG-N 3.49Å | ||
| 96 | L | 54.6 | Low | 75.5 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -75 | -20.8 | 178 | -74.4 | 160 | 0 | 0 | 0 | 113.2 | Q176 | L96-Q176 HydrophobicContact CD2-CG 3.75Š|
| 97 | F | 54.3 | Low | 75.8 | Confident | 204 Ų | 204 | 73.8 Ų | 73.8 | 90% | 0.895 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -116 | -4.6 | -170.9 | -63.3 | -78.1 | 0 | 0 | 0 | 113.9 | S95 | S95-F97 VanDerWaalsContact C-N 3.32Š|
| 98 | D | 59.8 | Low | 75.9 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | trans | -134.4 | 45.4 | 179.7 | -175.3 | 38.2 | 0 | 0 | 0 | 109.2 | R93 S95 K100 | R93-D98 IonicContact CZ-OD2 2.78Å; R93-D98 IonicContact NH2-OD2 2.99Å; R93-D98 PolarHBondContact NH2-OD2 2.92Å; S95-D98 PolarHBondContact OG-N 3.49Å; D98-K100 PolarHBondContact O-N 3.24Å | ||
| 99 | D | 67.8 | Low | 76.3 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | trans | -79.6 | 100.4 | 172.9 | -171.2 | 7.5 | 0 | 0 | 0 | 107.9 | A101 R169 R240 | D99-A101 PolarHBondContact O-N 2.87Å; D99-R169 VanDerWaalsContact CG-NH2 3.3Å; D99-R169 IonicContact OD1-CZ 3.72Å; D99-R169 IonicContact OD1-NH1 2.77Å; D99-R169 IonicContact OD1-NH2 3.43Å; D99-R169 PolarHBondContact OD1-NH2 3.38Å; D99-R169 IonicContact OD2-CZ 3.24Å; D99-R169 IonicContact OD2-NH1 3.56Å; D99-R169 PolarHBondContact OD2-NH1 3.33Å; D99-R169 IonicContact OD2-NH2 2.71Å; D99-R169 PolarHBondContact OD2-NH2 3.33Å; D99-R240 IonicContact OD2-CZ 3Å; D99-R240 IonicContact OD2-NH2 2.61Å; D99-R240 PolarHBondContact OD2-NH2 3.47Å | ||
| 100 | K | 77.5 | Confident | 76.7 | Confident | 96 Ų | 96 | 78.3 Ų | 78.3 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -74.6 | 60.3 | 175.2 | -58.6 | -164.3 | -177.8 | -168.2 | 0 | 110.8 | L90 D98 V102 E103 I104 | L90-K100 HydrophobicContact CD2-CD 4.22Å; D98-K100 PolarHBondContact O-N 3.24Å; K100-V102 VanDerWaalsContact C-N 3.28Å; K100-V102 PolarHBondContact O-N 3.36Å; K100-E103 HydrophobicContact CB-CB 4.03Å; K100-E103 WeakPolarHBondContact CD-OE2 3.41Å; K100-E103 IonicContact NZ-OE2 2.82Å; K100-E103 PolarHBondContact NZ-OE2 2.85Å; K100-E103 PolarHBondContact O-N 3.48Å; K100-E103 VanDerWaalsContact O-N 3.14Å; K100-I104 WeakPolarHBondContact O-CG1 3.18Å; K100-I104 PolarHBondContact O-N 3.47Å | ||
| 101 | A | 77.9 | Confident | 77.3 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D99 I104 E105 | D99-A101 PolarHBondContact O-N 2.87Å; A101-I104 PolarHBondContact O-N 3.33Å; A101-E105 WeakPolarHBondContact O-CB 3.48Å; A101-E105 PolarHBondContact O-N 2.99Å |
| 102 | V | 82.9 | Confident | 78 | Confident | 99 Ų | 99 | 79.2 Ų | 79.2 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 177 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | K100 I104 E105 E106 | K100-V102 VanDerWaalsContact C-N 3.28Å; K100-V102 PolarHBondContact O-N 3.36Å; V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.48Å; V102-E105 PolarHBondContact O-N 3.45Å; V102-E106 HydrophobicContact CG1-CG 4.41Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 3.3Å |
| 103 | E | 85.9 | Confident | 78.9 | Confident | 42 Ų | 42 | 78 Ų | 78 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 179.2 | -170.9 | 174 | -170.8 | 0 | 0 | 111.6 | K86 L90 K100 L107 | K86-E103 WeakPolarHBondContact CE-OE1 3.29Å; K86-E103 IonicContact NZ-OE1 2.64Å; K86-E103 PolarHBondContact NZ-OE1 2.82Å; L90-E103 HydrophobicContact CD1-CB 4.5Å; L90-E103 HydrophobicContact CD1-CG 3.91Å; K100-E103 HydrophobicContact CB-CB 4.03Å; K100-E103 WeakPolarHBondContact CD-OE2 3.41Å; K100-E103 IonicContact NZ-OE2 2.82Å; K100-E103 PolarHBondContact NZ-OE2 2.85Å; K100-E103 PolarHBondContact O-N 3.48Å; K100-E103 VanDerWaalsContact O-N 3.14Å; E103-L107 HydrophobicContact CG-CD1 4.2Å; E103-L107 VanDerWaalsContact O-CB 3.29Å; E103-L107 WeakPolarHBondContact O-CB 3.46Å; E103-L107 VanDerWaalsContact O-CG 3.25Å; E103-L107 WeakPolarHBondContact O-CG 3.31Å; E103-L107 PolarHBondContact O-N 2.76Å |
| 104 | I | 85.4 | Confident | 80.2 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 175.3 | -69.2 | 170.8 | 0 | 0 | 0 | 110.8 | L87 L90 K100 A101 V102 T108 R169 | L87-I104 HydrophobicContact CD1-CB 4.23Å; L87-I104 HydrophobicContact CD1-CG1 4.37Å; L87-I104 HydrophobicContact CD1-CG2 3.83Å; L90-I104 HydrophobicContact CB-CD1 4.2Å; L90-I104 HydrophobicContact CB-CG1 3.88Å; L90-I104 HydrophobicContact CD1-CG1 4.36Å; K100-I104 WeakPolarHBondContact O-CG1 3.18Å; K100-I104 PolarHBondContact O-N 3.47Å; A101-I104 PolarHBondContact O-N 3.33Å; V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.48Å; I104-T108 VanDerWaalsContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CB 3.47Å; I104-T108 PolarHBondContact O-N 3.12Å; I104-T108 PolarHBondContact O-OG1 3.11Å; I104-R169 HydrophobicContact CG2-CG 4.46Å |
| 105 | E | 86.1 | Confident | 81.6 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 179.3 | -173.4 | 167.1 | -156.3 | 0 | 0 | 111.5 | A101 V102 T108 Y109 N246 | A101-E105 WeakPolarHBondContact O-CB 3.48Å; A101-E105 PolarHBondContact O-N 2.99Å; V102-E105 PolarHBondContact O-N 3.45Å; E105-T108 WeakPolarHBondContact O-CB 3.46Å; E105-T108 PolarHBondContact O-N 3.14Å; E105-Y109 PolarHBondContact O-N 2.81Å; E105-N246 PolarHBondContact OE1-ND2 3.45Å |
| 106 | E | 89.8 | Confident | 83.2 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 174 | -74.2 | 178.5 | 173 | 0 | 0 | 111.8 | V102 T108 Y109 I110 | V102-E106 HydrophobicContact CG1-CG 4.41Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 3.3Å; E106-T108 VanDerWaalsContact C-N 3.31Å; E106-T108 PolarHBondContact O-N 2.73Å; E106-Y109 PolarHBondContact O-N 3.06Å; E106-I110 VanDerWaalsContact O-CG1 3.25Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.8Å |
| 107 | L | 91.1 | Very high | 85.1 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 177.2 | -77.9 | 171.5 | 0 | 0 | 0 | 111.6 | K83 K86 L87 L90 E103 I110 I111 | K83-L107 HydrophobicContact CB-CD2 4.25Å; K86-L107 HydrophobicContact CD-CD1 4.22Å; K86-L107 HydrophobicContact CG-CD1 4.22Å; L87-L107 HydrophobicContact CB-CB 4.39Å; L87-L107 HydrophobicContact CB-CD1 4.34Å; L87-L107 HydrophobicContact CD1-CB 3.99Å; L87-L107 HydrophobicContact CD1-CD1 4.49Å; L90-L107 HydrophobicContact CD1-CD1 3.72Å; E103-L107 HydrophobicContact CG-CD1 4.2Å; E103-L107 VanDerWaalsContact O-CB 3.29Å; E103-L107 WeakPolarHBondContact O-CB 3.46Å; E103-L107 VanDerWaalsContact O-CG 3.25Å; E103-L107 WeakPolarHBondContact O-CG 3.31Å; E103-L107 PolarHBondContact O-N 2.76Å; L107-I110 PolarHBondContact O-N 3.47Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.39Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 2.78Å |
| 108 | T | 89.9 | Confident | 87.1 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | I104 E105 E106 K112 F162 L166 | I104-T108 VanDerWaalsContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CB 3.47Å; I104-T108 PolarHBondContact O-N 3.12Å; I104-T108 PolarHBondContact O-OG1 3.11Å; E105-T108 WeakPolarHBondContact O-CB 3.46Å; E105-T108 PolarHBondContact O-N 3.14Å; E106-T108 VanDerWaalsContact C-N 3.31Å; E106-T108 PolarHBondContact O-N 2.73Å; T108-K112 WeakPolarHBondContact O-CB 3.47Å; T108-K112 PolarHBondContact O-N 3.42Å; T108-F162 HydrophobicContact CG2-CE2 4.29Å; T108-F162 HydrophobicContact CG2-CZ 3.92Å; T108-L166 HydrophobicContact CG2-CD2 3.89Å |
| 109 | Y | 91.6 | Very high | 88.6 | Confident | 153 Ų | 153 | 51.6 Ų | 51.6 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 178 | -175.3 | -93 | 0 | 0 | 0 | 112.3 | E105 E106 K112 Q113 | E105-Y109 PolarHBondContact O-N 2.81Å; E106-Y109 PolarHBondContact O-N 3.06Å; Y109-K112 WeakPolarHBondContact O-CB 3.3Å; Y109-K112 PolarHBondContact O-N 2.93Å; Y109-Q113 PolarHBondContact O-N 2.97Å |
| 110 | I | 93.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 33% | 0.328 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 178.8 | -67.3 | 164.4 | 0 | 0 | 0 | 110.5 | K83 E106 L107 K112 Q113 D114 | K83-I110 HydrophobicContact CD-CG2 3.72Å; K83-I110 VanDerWaalsContact NZ-CG2 3.34Å; E106-I110 VanDerWaalsContact O-CG1 3.25Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.8Å; L107-I110 PolarHBondContact O-N 3.47Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 2.88Å; I110-Q113 PolarHBondContact O-N 2.91Å; I110-D114 WeakPolarHBondContact O-CB 3.35Å; I110-D114 VanDerWaalsContact O-CG 3.28Å; I110-D114 PolarHBondContact O-N 2.86Å |
| 111 | I | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 179.4 | -68.2 | 163 | 0 | 0 | 0 | 110.5 | T80 K83 L84 L87 L107 Q113 D114 I115 F162 | T80-I111 HydrophobicContact CG2-CG1 4.41Å; T80-I111 HydrophobicContact CG2-CG2 4.15Å; K83-I111 HydrophobicContact CB-CD1 4.12Å; K83-I111 HydrophobicContact CB-CG1 3.97Å; L84-I111 HydrophobicContact CB-CD1 4.16Å; L84-I111 HydrophobicContact CD1-CD1 4.43Å; L87-I111 HydrophobicContact CB-CD1 4.1Å; L87-I111 HydrophobicContact CD2-CD1 3.78Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.39Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 2.78Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.36Å; I111-D114 PolarHBondContact O-N 3.18Å; I111-I115 HydrophobicContact CG2-CD1 3.66Å; I111-I115 HydrophobicContact CG2-CG1 4.17Å; I111-I115 WeakPolarHBondContact O-CB 3.32Å; I111-I115 VanDerWaalsContact O-CG1 3.32Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; I111-I115 PolarHBondContact O-N 2.84Å; I111-F162 HydrophobicContact CB-CE2 4.15Å; I111-F162 HydrophobicContact CB-CZ 4.2Å; I111-F162 HydrophobicContact CD1-CE2 4.44Å; I111-F162 HydrophobicContact CG2-CD1 3.97Å; I111-F162 HydrophobicContact CG2-CD2 3.83Å; I111-F162 HydrophobicContact CG2-CE1 4Å; I111-F162 HydrophobicContact CG2-CE2 3.84Å; I111-F162 HydrophobicContact CG2-CG 3.89Å; I111-F162 HydrophobicContact CG2-CZ 3.92Å |
| 112 | K | 91.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 173.7 | 175.2 | -176.7 | 178 | 165.1 | 0 | 111.3 | T108 Y109 I110 N116 T250 E253 | T108-K112 WeakPolarHBondContact O-CB 3.47Å; T108-K112 PolarHBondContact O-N 3.42Å; Y109-K112 WeakPolarHBondContact O-CB 3.3Å; Y109-K112 PolarHBondContact O-N 2.93Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 2.88Å; K112-N116 PolarHBondContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 3.3Å; K112-T250 HydrophobicContact CB-CG2 4.35Å; K112-T250 HydrophobicContact CD-CG2 4.14Å; K112-T250 HydrophobicContact CG-CG2 4.29Å; K112-E253 WeakPolarHBondContact CE-OE2 3.48Å; K112-E253 IonicContact NZ-OE1 2.86Å; K112-E253 PolarHBondContact NZ-OE1 2.96Å; K112-E253 IonicContact NZ-OE2 2.68Å; K112-E253 PolarHBondContact NZ-OE2 2.87Å |
| 113 | Q | 93.3 | Very high | 91.6 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 179 | -173.9 | 176.7 | 2.9 | 0 | 0 | 111.8 | Y109 I110 I111 N116 S117 | Y109-Q113 PolarHBondContact O-N 2.97Å; I110-Q113 PolarHBondContact O-N 2.91Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.36Å; Q113-N116 PolarHBondContact O-N 3.42Å; Q113-S117 WeakPolarHBondContact O-CB 2.83Å; Q113-S117 PolarHBondContact O-N 3.23Å |
| 114 | D | 94.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 179.5 | -74 | -16.9 | 0 | 0 | 0 | 111.3 | T80 K83 I110 I111 N116 S117 L118 | T80-D114 HydrophobicContact CG2-CB 3.72Å; T80-D114 WeakPolarHBondContact OG1-CB 3.35Å; K83-D114 IonicContact NZ-OD2 3.04Å; K83-D114 PolarHBondContact NZ-OD2 3.39Å; I110-D114 WeakPolarHBondContact O-CB 3.35Å; I110-D114 VanDerWaalsContact O-CG 3.28Å; I110-D114 PolarHBondContact O-N 2.86Å; I111-D114 PolarHBondContact O-N 3.18Å; D114-N116 VanDerWaalsContact C-N 3.35Å; D114-N116 PolarHBondContact O-N 2.99Å; D114-S117 WeakPolarHBondContact O-CB 3.48Å; D114-S117 PolarHBondContact O-N 3.06Å; D114-L118 WeakPolarHBondContact O-CB 3.36Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.13Å |
| 115 | I | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.9 | -71.4 | 174.7 | 0 | 0 | 0 | 110.9 | T80 I111 L118 N119 L155 M158 F162 L254 I257 | T80-I115 HydrophobicContact CG2-CG1 4.46Å; I111-I115 HydrophobicContact CG2-CD1 3.66Å; I111-I115 HydrophobicContact CG2-CG1 4.17Å; I111-I115 WeakPolarHBondContact O-CB 3.32Å; I111-I115 VanDerWaalsContact O-CG1 3.32Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; I111-I115 PolarHBondContact O-N 2.84Å; I115-L118 PolarHBondContact O-N 2.92Å; I115-N119 WeakPolarHBondContact O-CB 3.42Å; I115-N119 PolarHBondContact O-N 3.32Å; I115-L155 HydrophobicContact CG1-CD1 4.45Å; I115-L155 HydrophobicContact CG2-CD1 4.22Å; I115-M158 HydrophobicContact CD1-CG 4.47Å; I115-M158 HydrophobicContact CD1-SD 4.4Å; I115-M158 HydrophobicContact CG1-SD 4Å; I115-F162 HydrophobicContact CD1-CB 4.3Å; I115-F162 HydrophobicContact CD1-CD1 3.66Å; I115-F162 HydrophobicContact CD1-CE1 4.31Å; I115-F162 HydrophobicContact CD1-CG 4.23Å; I115-L254 HydrophobicContact CD1-CD2 4.21Å; I115-L254 HydrophobicContact CG2-CD2 4.2Å; I115-I257 HydrophobicContact CG2-CD1 3.81Å |
| 116 | N | 92.8 | Very high | 92 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.6 | -87.4 | -74.9 | 0 | 0 | 0 | 112.3 | K112 Q113 D114 K120 | K112-N116 PolarHBondContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 3.3Å; Q113-N116 PolarHBondContact O-N 3.42Å; D114-N116 VanDerWaalsContact C-N 3.35Å; D114-N116 PolarHBondContact O-N 2.99Å; N116-K120 WeakPolarHBondContact O-CG 3.42Å; N116-K120 PolarHBondContact O-N 3.48Å; N116-K120 VanDerWaalsContact O-N 3.15Å |
| 117 | S | 94.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 48 Ų | 48 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | Q113 D114 N119 K120 Q121 | Q113-S117 WeakPolarHBondContact O-CB 2.83Å; Q113-S117 PolarHBondContact O-N 3.23Å; D114-S117 WeakPolarHBondContact O-CB 3.48Å; D114-S117 PolarHBondContact O-N 3.06Å; S117-N119 PolarHBondContact O-N 3.36Å; S117-K120 PolarHBondContact O-N 2.92Å; S117-Q121 WeakPolarHBondContact O-CG 3.21Å; S117-Q121 PolarHBondContact O-N 3.34Å; S117-Q121 PolarHBondContact OG-NE2 2.87Å; S117-Q121 VanDerWaalsContact OG-NE2 3.12Å |
| 118 | L | 94.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.4 | -74.1 | 166.1 | 0 | 0 | 0 | 111.5 | I73 D76 L77 D114 I115 K120 Q121 I122 L155 | I73-L118 HydrophobicContact CG2-CD2 3.93Å; D76-L118 HydrophobicContact CB-CD2 3.78Å; L77-L118 HydrophobicContact CB-CD1 4.5Å; L77-L118 HydrophobicContact CB-CD2 4.33Å; L77-L118 HydrophobicContact CD1-CD1 3.95Å; D114-L118 WeakPolarHBondContact O-CB 3.36Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.13Å; I115-L118 PolarHBondContact O-N 2.92Å; L118-K120 PolarHBondContact O-N 3.28Å; L118-Q121 PolarHBondContact O-N 3.05Å; L118-I122 WeakPolarHBondContact O-CB 3.5Å; L118-I122 VanDerWaalsContact O-CG1 3.27Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.48Å; L118-L155 HydrophobicContact CB-CD1 3.93Å; L118-L155 HydrophobicContact CB-CD2 4.28Å; L118-L155 HydrophobicContact CD1-CD1 4.11Å |
| 119 | N | 92.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.3 | -170.9 | 37.4 | 0 | 0 | 0 | 111.5 | I115 S117 I122 A123 L155 I257 Q260 | I115-N119 WeakPolarHBondContact O-CB 3.42Å; I115-N119 PolarHBondContact O-N 3.32Å; S117-N119 PolarHBondContact O-N 3.36Å; N119-I122 PolarHBondContact O-N 2.92Å; N119-A123 WeakPolarHBondContact O-CB 3.36Å; N119-A123 PolarHBondContact O-N 3.27Å; N119-L155 HydrophobicContact CB-CD2 4Å; N119-I257 HydrophobicContact CB-CG2 4.41Å; N119-Q260 PolarHBondContact ND2-OE1 3Å |
| 120 | K | 92.9 | Very high | 90.8 | Very high | 143 Ų | 143 | 49.5 Ų | 49.5 | 62% | 0.622 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63 | -44.1 | 175.9 | -71.5 | 176.1 | -176.8 | 178.8 | 0 | 112.4 | N116 S117 L118 A123 Q124 | N116-K120 WeakPolarHBondContact O-CG 3.42Å; N116-K120 PolarHBondContact O-N 3.48Å; N116-K120 VanDerWaalsContact O-N 3.15Å; S117-K120 PolarHBondContact O-N 2.92Å; L118-K120 PolarHBondContact O-N 3.28Å; K120-A123 PolarHBondContact O-N 2.95Å; K120-Q124 WeakPolarHBondContact O-CG 3.43Å; K120-Q124 PolarHBondContact O-N 3.26Å |
| 121 | Q | 93.3 | Very high | 90.1 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 179.2 | -71.2 | -179.5 | 65.7 | 0 | 0 | 111.8 | M69 I73 S117 L118 Q124 L125 | M69-Q121 WeakPolarHBondContact CE-O 3.32Å; I73-Q121 HydrophobicContact CD1-CB 3.85Å; I73-Q121 HydrophobicContact CG1-CB 3.8Å; S117-Q121 WeakPolarHBondContact O-CG 3.21Å; S117-Q121 PolarHBondContact O-N 3.34Å; S117-Q121 PolarHBondContact OG-NE2 2.87Å; S117-Q121 VanDerWaalsContact OG-NE2 3.12Å; L118-Q121 PolarHBondContact O-N 3.05Å; Q121-Q124 PolarHBondContact O-N 2.7Å; Q121-L125 WeakPolarHBondContact O-CB 3.45Å; Q121-L125 PolarHBondContact O-N 3.25Å |
| 122 | I | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 176.2 | -71.3 | 171.2 | 0 | 0 | 0 | 111 | I73 L118 N119 L125 Q126 L151 Q152 L155 M264 | I73-I122 HydrophobicContact CD1-CG1 4.35Å; I73-I122 HydrophobicContact CG2-CD1 4.15Å; I73-I122 HydrophobicContact CG2-CG1 3.82Å; L118-I122 WeakPolarHBondContact O-CB 3.5Å; L118-I122 VanDerWaalsContact O-CG1 3.27Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.48Å; N119-I122 PolarHBondContact O-N 2.92Å; I122-L125 WeakPolarHBondContact O-CB 3.41Å; I122-L125 PolarHBondContact O-N 3.07Å; I122-Q126 PolarHBondContact O-N 2.91Å; I122-L151 HydrophobicContact CD1-CB 4.07Å; I122-L151 HydrophobicContact CG1-CB 4.39Å; I122-Q152 HydrophobicContact CG2-CG 3.51Å; I122-L155 HydrophobicContact CD1-CB 4.15Å; I122-L155 HydrophobicContact CD1-CD2 3.77Å; I122-M264 HydrophobicContact CG2-SD 4.1Å |
| 123 | A | 90.1 | Very high | 87.8 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N119 K120 L125 Q126 D127 M264 | N119-A123 WeakPolarHBondContact O-CB 3.36Å; N119-A123 PolarHBondContact O-N 3.27Å; K120-A123 PolarHBondContact O-N 2.95Å; A123-L125 VanDerWaalsContact C-N 3.29Å; A123-L125 PolarHBondContact O-N 3.22Å; A123-Q126 WeakPolarHBondContact O-CB 3.38Å; A123-Q126 PolarHBondContact O-N 2.92Å; A123-D127 PolarHBondContact O-N 3.41Å; A123-M264 HydrophobicContact CB-CE 4.2Å |
| 124 | Q | 90.9 | Very high | 86.3 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 174.4 | -71.5 | 175 | -5.5 | 0 | 0 | 112.4 | M69 K120 Q121 Q126 D127 L128 | M69-Q124 HydrophobicContact CE-CB 3.61Å; K120-Q124 WeakPolarHBondContact O-CG 3.43Å; K120-Q124 PolarHBondContact O-N 3.26Å; Q121-Q124 PolarHBondContact O-N 2.7Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q124-D127 PolarHBondContact O-N 3.43Å; Q124-L128 PolarHBondContact O-N 3.06Å; Q124-L128 VanDerWaalsContact O-N 3.07Å |
| 125 | L | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.8 | -168.6 | 67.6 | 0 | 0 | 0 | 110.9 | F66 M69 A70 I73 Q121 I122 A123 L128 V129 V148 L151 | F66-L125 HydrophobicContact CD2-CD1 3.26Å; F66-L125 HydrophobicContact CD2-CG 3.93Å; F66-L125 HydrophobicContact CE2-CD1 3.39Å; F66-L125 HydrophobicContact CE2-CD2 3.92Å; F66-L125 HydrophobicContact CE2-CG 3.51Å; F66-L125 HydrophobicContact CG-CD1 4.12Å; F66-L125 HydrophobicContact CZ-CD1 4.31Å; F66-L125 HydrophobicContact CZ-CD2 4.28Å; F66-L125 HydrophobicContact CZ-CG 4.35Å; M69-L125 HydrophobicContact CB-CD1 4.19Å; M69-L125 HydrophobicContact CE-CB 4.18Å; M69-L125 HydrophobicContact CG-CD1 4.14Å; M69-L125 HydrophobicContact SD-CD1 4.36Å; A70-L125 HydrophobicContact CB-CD2 4.18Å; I73-L125 HydrophobicContact CD1-CB 4.35Å; I73-L125 HydrophobicContact CD1-CD2 4.01Å; Q121-L125 WeakPolarHBondContact O-CB 3.45Å; Q121-L125 PolarHBondContact O-N 3.25Å; I122-L125 WeakPolarHBondContact O-CB 3.41Å; I122-L125 PolarHBondContact O-N 3.07Å; A123-L125 VanDerWaalsContact C-N 3.29Å; A123-L125 PolarHBondContact O-N 3.22Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.21Å; L125-V129 VanDerWaalsContact O-N 3.13Å; L125-V148 HydrophobicContact CB-CG2 4.49Å; L125-V148 HydrophobicContact CD2-CG2 3.75Å; L125-V148 HydrophobicContact CG-CG2 3.86Å; L125-L151 HydrophobicContact CD2-CD1 3.99Å |
| 126 | Q | 87.4 | Confident | 82.7 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.8 | 180 | 176.6 | -15.7 | 0 | 0 | 112.2 | I122 A123 Q124 L128 V129 R130 V148 M264 Q268 | I122-Q126 PolarHBondContact O-N 2.91Å; A123-Q126 WeakPolarHBondContact O-CB 3.38Å; A123-Q126 PolarHBondContact O-N 2.92Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.98Å; Q126-V129 PolarHBondContact O-N 3.43Å; Q126-V129 VanDerWaalsContact O-N 3.12Å; Q126-R130 PolarHBondContact O-N 3.49Å; Q126-V148 HydrophobicContact CB-CG1 4.15Å; Q126-M264 PolarHBondContact OE1-SD 2.85Å; Q126-Q268 VanDerWaalsContact CD-NE2 3.35Å |
| 127 | D | 86.7 | Confident | 81.3 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 176.3 | -73.2 | -25.3 | 0 | 0 | 0 | 111.6 | A123 Q124 V129 R130 S131 | A123-D127 PolarHBondContact O-N 3.41Å; Q124-D127 PolarHBondContact O-N 3.43Å; D127-V129 PolarHBondContact O-N 3.39Å; D127-R130 PolarHBondContact O-N 2.91Å; D127-S131 WeakPolarHBondContact O-CB 3.23Å; D127-S131 PolarHBondContact O-N 3.38Å; D127-S131 PolarHBondContact O-OG 3.08Å |
| 128 | L | 84.6 | Confident | 79.9 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 174.6 | -165.8 | 158.4 | 0 | 0 | 0 | 110.8 | F66 Q124 L125 Q126 S131 R132 | F66-L128 HydrophobicContact CB-CD2 4.24Å; F66-L128 HydrophobicContact CD2-CD2 4.32Å; Q124-L128 PolarHBondContact O-N 3.06Å; Q124-L128 VanDerWaalsContact O-N 3.07Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 3.44Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.98Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 2.95Å; L128-R132 WeakPolarHBondContact O-CB 3.36Å; L128-R132 PolarHBondContact O-N 3.47Å |
| 129 | V | 82.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | F66 L125 Q126 D127 R132 Q141 N145 V148 | F66-V129 HydrophobicContact CD2-CG2 3.83Å; F66-V129 HydrophobicContact CE2-CG2 3.38Å; F66-V129 HydrophobicContact CZ-CG2 4.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.21Å; L125-V129 VanDerWaalsContact O-N 3.13Å; Q126-V129 PolarHBondContact O-N 3.43Å; Q126-V129 VanDerWaalsContact O-N 3.12Å; D127-V129 PolarHBondContact O-N 3.39Å; V129-R132 PolarHBondContact O-N 2.96Å; V129-Q141 HydrophobicContact CG1-CG 4.2Å; V129-Q141 PolarHBondContact O-NE2 3.49Å; V129-N145 WeakPolarHBondContact CG1-OD1 3.12Å; V129-V148 HydrophobicContact CG2-CG2 4.23Å |
| 130 | R | 81.9 | Confident | 77.6 | Confident | 156 Ų | 156 | 76.8 Ų | 76.8 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 176.9 | -164.6 | -179.4 | -160.5 | 148.5 | 18 | 111.7 | Q126 D127 R132 S133 E267 | Q126-R130 PolarHBondContact O-N 3.49Å; D127-R130 PolarHBondContact O-N 2.91Å; R130-R132 PolarHBondContact O-N 3.39Å; R130-S133 WeakPolarHBondContact O-CB 3.48Å; R130-S133 PolarHBondContact O-N 3.25Å; R130-S133 PolarHBondContact O-OG 3.42Å; R130-E267 IonicContact CZ-OE1 3.66Å; R130-E267 IonicContact NH1-OE1 2.64Å; R130-E267 IonicContact NH2-OE1 3.68Å; R130-E267 PolarHBondContact NH2-OE1 2.88Å; R130-E267 VanDerWaalsContact NH2-OE1 3.08Å |
| 131 | S | 79.7 | Confident | 76.8 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 70% | 0.699 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -23.6 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | D127 L128 S133 | D127-S131 WeakPolarHBondContact O-CB 3.23Å; D127-S131 PolarHBondContact O-N 3.38Å; D127-S131 PolarHBondContact O-OG 3.08Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 2.95Å; S131-S133 VanDerWaalsContact C-N 3.32Å; S131-S133 PolarHBondContact O-N 3.12Å |
| 132 | R | 72.8 | Confident | 76 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 11.3 | -177.5 | -159.8 | 166.8 | 179.5 | -131.6 | 0.7 | 114 | A59 L128 V129 R130 A134 | A59-R132 PolarHBondContact O-NH2 2.82Å; L128-R132 WeakPolarHBondContact O-CB 3.36Å; L128-R132 PolarHBondContact O-N 3.47Å; V129-R132 PolarHBondContact O-N 2.96Å; R130-R132 PolarHBondContact O-N 3.39Å; R132-A134 PolarHBondContact O-N 2.97Å |
| 133 | S | 63.9 | Low | 75.4 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | trans | -69.4 | 67.1 | 178.9 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | R130 S131 Q141 | R130-S133 WeakPolarHBondContact O-CB 3.48Å; R130-S133 PolarHBondContact O-N 3.25Å; R130-S133 PolarHBondContact O-OG 3.42Å; S131-S133 VanDerWaalsContact C-N 3.32Å; S131-S133 PolarHBondContact O-N 3.12Å; S133-Q141 PolarHBondContact OG-NE2 3.39Å | ||
| 134 | A | 61.8 | Low | 75 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | trans | -104.5 | 142.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R132 G136 | R132-A134 PolarHBondContact O-N 2.97Å; A134-G136 PolarHBondContact O-N 2.91Å | ||
| 135 | P | 57.1 | Low | 74.7 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 83% | 0.831 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -2.9 | -168.2 | 21.1 | -31 | 0 | 0 | 0 | 116.4 | ||
| 136 | G | 56.4 | Low | 74.3 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 86% | 0.856 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | A134 | A134-G136 PolarHBondContact O-N 2.91Š|
| 137 | G | 62.5 | Low | 74.3 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 27% | 0.268 | 42% | 0.42 | S | S | . | . | trans | -146 | 37.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | H139 I140 Q141 | G137-H139 VanDerWaalsContact C-N 3.35Å; G137-H139 PolarHBondContact O-N 3.28Å; G137-I140 PolarHBondContact O-N 2.94Å; G137-Q141 PolarHBondContact O-N 2.81Å; G137-Q141 VanDerWaalsContact O-N 3.16Å | ||
| 138 | R | 65.9 | Low | 74.4 | Confident | 208 Ų | 208 | 70.6 Ų | 70.6 | 79% | 0.785 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -47.7 | -48.5 | -173.6 | -75.9 | -175.2 | 179.9 | 126.1 | 0.3 | 114.1 | I140 Q141 T142 | R138-I140 PolarHBondContact O-N 3.45Å; R138-Q141 PolarHBondContact O-N 3.38Å; R138-T142 PolarHBondContact O-N 2.94Å; R138-T142 PolarHBondContact O-OG1 3.29Å |
| 139 | H | 67.3 | Low | 74.4 | Confident | 134 Ų | 134 | 68.6 Ų | 68.6 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | -176.4 | -177.3 | 73.1 | 0 | 0 | 0 | 113.7 | G137 Q141 T142 H143 | G137-H139 VanDerWaalsContact C-N 3.35Å; G137-H139 PolarHBondContact O-N 3.28Å; H139-Q141 VanDerWaalsContact C-N 3.29Å; H139-Q141 PolarHBondContact O-N 3.47Å; H139-T142 PolarHBondContact O-N 2.65Å; H139-H143 PolarHBondContact O-N 3.15Å |
| 140 | I | 71.8 | Confident | 74.6 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | -179.7 | -66.4 | 163.9 | 0 | 0 | 0 | 110.5 | G137 R138 S144 | G137-I140 PolarHBondContact O-N 2.94Å; R138-I140 PolarHBondContact O-N 3.45Å; I140-S144 WeakPolarHBondContact O-CB 3.41Å; I140-S144 PolarHBondContact O-N 2.88Å; I140-S144 PolarHBondContact O-OG 3.01Å |
| 141 | Q | 75.9 | Confident | 75 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 177.7 | -168.5 | 158.3 | 18.5 | 0 | 0 | 111.9 | V129 S133 G137 R138 H139 H143 S144 N145 | V129-Q141 HydrophobicContact CG1-CG 4.2Å; V129-Q141 PolarHBondContact O-NE2 3.49Å; S133-Q141 PolarHBondContact OG-NE2 3.39Å; G137-Q141 PolarHBondContact O-N 2.81Å; G137-Q141 VanDerWaalsContact O-N 3.16Å; R138-Q141 PolarHBondContact O-N 3.38Å; H139-Q141 VanDerWaalsContact C-N 3.29Å; H139-Q141 PolarHBondContact O-N 3.47Å; Q141-H143 PolarHBondContact O-N 2.89Å; Q141-S144 PolarHBondContact O-N 3.22Å; Q141-N145 PolarHBondContact O-N 3.19Å; Q141-N145 PolarHBondContact O-ND2 3.43Å |
| 142 | T | 76.4 | Confident | 75.4 | Confident | 31 Ų | 31 | 59.8 Ų | 59.8 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 173.1 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | R138 H139 S144 N145 T146 | R138-T142 PolarHBondContact O-N 2.94Å; R138-T142 PolarHBondContact O-OG1 3.29Å; H139-T142 PolarHBondContact O-N 2.65Å; T142-S144 VanDerWaalsContact C-N 3.32Å; T142-S144 PolarHBondContact O-N 3.37Å; T142-N145 PolarHBondContact O-N 3.4Å; T142-T146 PolarHBondContact O-N 3.01Å; T142-T146 PolarHBondContact O-OG1 3Å |
| 143 | H | 77.8 | Confident | 76.1 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 177.4 | 179.5 | 63.4 | 0 | 0 | 0 | 112.7 | H139 Q141 T146 I147 | H139-H143 PolarHBondContact O-N 3.15Å; Q141-H143 PolarHBondContact O-N 2.89Å; H143-T146 PolarHBondContact O-N 3.29Å; H143-I147 VanDerWaalsContact NE2-CD1 3.25Å; H143-I147 WeakPolarHBondContact NE2-CD1 3.49Å; H143-I147 WeakPolarHBondContact O-CG1 3.35Å; H143-I147 PolarHBondContact O-N 3.3Å |
| 144 | S | 83.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 178.5 | -54 | 0 | 0 | 0 | 0 | 111.7 | F66 I140 Q141 T142 I147 V148 | F66-S144 WeakPolarHBondContact CZ-O 3.31Å; I140-S144 WeakPolarHBondContact O-CB 3.41Å; I140-S144 PolarHBondContact O-N 2.88Å; I140-S144 PolarHBondContact O-OG 3.01Å; Q141-S144 PolarHBondContact O-N 3.22Å; T142-S144 VanDerWaalsContact C-N 3.32Å; T142-S144 PolarHBondContact O-N 3.37Å; S144-I147 PolarHBondContact O-N 2.99Å; S144-V148 WeakPolarHBondContact O-CG2 3.47Å; S144-V148 PolarHBondContact O-N 3.34Å; S144-V148 VanDerWaalsContact O-N 3.08Å |
| 145 | N | 83.3 | Confident | 78.8 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 173 | -77.9 | -39.3 | 0 | 0 | 0 | 111.5 | V129 Q141 T142 I147 V148 V149 | V129-N145 WeakPolarHBondContact CG1-OD1 3.12Å; Q141-N145 PolarHBondContact O-N 3.19Å; Q141-N145 PolarHBondContact O-ND2 3.43Å; T142-N145 PolarHBondContact O-N 3.4Å; N145-I147 VanDerWaalsContact C-N 3.3Å; N145-I147 PolarHBondContact O-N 3.36Å; N145-V148 WeakPolarHBondContact O-CB 3.15Å; N145-V148 PolarHBondContact O-N 3.49Å; N145-V148 VanDerWaalsContact O-N 3.11Å; N145-V149 WeakPolarHBondContact O-CG2 3.48Å; N145-V149 PolarHBondContact O-N 3.36Å |
| 146 | T | 82.2 | Confident | 80.3 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.362 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 178 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | T142 H143 V149 S150 | T142-T146 PolarHBondContact O-N 3.01Å; T142-T146 PolarHBondContact O-OG1 3Å; H143-T146 PolarHBondContact O-N 3.29Å; T146-V149 PolarHBondContact O-N 2.85Å; T146-S150 WeakPolarHBondContact O-CB 3.2Å; T146-S150 PolarHBondContact O-N 3.14Å |
| 147 | I | 86.3 | Confident | 81.9 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.5 | -71.6 | 169.7 | 0 | 0 | 0 | 110.6 | F66 A70 H143 S144 N145 V149 S150 L151 | F66-I147 HydrophobicContact CE1-CD1 4Å; F66-I147 HydrophobicContact CZ-CB 4.23Å; F66-I147 HydrophobicContact CZ-CG2 4.23Å; A70-I147 HydrophobicContact CB-CG2 3.98Å; H143-I147 VanDerWaalsContact NE2-CD1 3.25Å; H143-I147 WeakPolarHBondContact NE2-CD1 3.49Å; H143-I147 WeakPolarHBondContact O-CG1 3.35Å; H143-I147 PolarHBondContact O-N 3.3Å; S144-I147 PolarHBondContact O-N 2.99Å; N145-I147 VanDerWaalsContact C-N 3.3Å; N145-I147 PolarHBondContact O-N 3.36Å; I147-V149 PolarHBondContact O-N 3.42Å; I147-S150 PolarHBondContact O-N 2.94Å; I147-L151 HydrophobicContact CG2-CD1 3.86Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 2.91Å |
| 148 | V | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 179.1 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | F66 L125 Q126 V129 S144 N145 S150 L151 Q152 | F66-V148 HydrophobicContact CE2-CG2 4.1Å; F66-V148 HydrophobicContact CZ-CG2 4.33Å; L125-V148 HydrophobicContact CB-CG2 4.49Å; L125-V148 HydrophobicContact CD2-CG2 3.75Å; L125-V148 HydrophobicContact CG-CG2 3.86Å; Q126-V148 HydrophobicContact CB-CG1 4.15Å; V129-V148 HydrophobicContact CG2-CG2 4.23Å; S144-V148 WeakPolarHBondContact O-CG2 3.47Å; S144-V148 PolarHBondContact O-N 3.34Å; S144-V148 VanDerWaalsContact O-N 3.08Å; N145-V148 WeakPolarHBondContact O-CB 3.15Å; N145-V148 PolarHBondContact O-N 3.49Å; N145-V148 VanDerWaalsContact O-N 3.11Å; V148-S150 PolarHBondContact O-N 2.86Å; V148-L151 PolarHBondContact O-N 2.93Å; V148-Q152 HydrophobicContact CG1-CG 4.45Å; V148-Q152 VanDerWaalsContact O-CG 3.23Å; V148-Q152 WeakPolarHBondContact O-CG 3.4Å; V148-Q152 PolarHBondContact O-N 3.28Å |
| 149 | V | 85.2 | Confident | 84.4 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | N145 T146 I147 L151 Q152 S153 Q268 I272 | N145-V149 WeakPolarHBondContact O-CG2 3.48Å; N145-V149 PolarHBondContact O-N 3.36Å; T146-V149 PolarHBondContact O-N 2.85Å; I147-V149 PolarHBondContact O-N 3.42Å; V149-L151 VanDerWaalsContact C-N 3.32Å; V149-L151 PolarHBondContact O-N 2.8Å; V149-Q152 PolarHBondContact O-N 3.46Å; V149-S153 WeakPolarHBondContact O-CB 3.26Å; V149-S153 PolarHBondContact O-N 3.4Å; V149-Q268 HydrophobicContact CG2-CB 3.58Å; V149-Q268 HydrophobicContact CG2-CG 4.25Å; V149-I272 HydrophobicContact CB-CD1 4.12Å; V149-I272 HydrophobicContact CG1-CD1 3.51Å; V149-I272 HydrophobicContact CG2-CD1 4.42Å |
| 150 | S | 86.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -43 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | T146 I147 V148 K154 | T146-S150 WeakPolarHBondContact O-CB 3.2Å; T146-S150 PolarHBondContact O-N 3.14Å; I147-S150 PolarHBondContact O-N 2.94Å; V148-S150 PolarHBondContact O-N 2.86Å; S150-K154 VanDerWaalsContact O-CG 3.3Å; S150-K154 WeakPolarHBondContact O-CG 3.28Å; S150-K154 PolarHBondContact O-N 2.93Å |
| 151 | L | 90.5 | Very high | 86.3 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.4 | -69.2 | 172.4 | 0 | 0 | 0 | 111.7 | A70 I73 L77 I122 L125 I147 V148 V149 K154 L155 | A70-L151 HydrophobicContact CB-CD1 4.48Å; I73-L151 HydrophobicContact CB-CD1 4.43Å; I73-L151 HydrophobicContact CG2-CD1 4.07Å; I73-L151 HydrophobicContact CG2-CD2 4.2Å; L77-L151 HydrophobicContact CD2-CD2 4.33Å; I122-L151 HydrophobicContact CD1-CB 4.07Å; I122-L151 HydrophobicContact CG1-CB 4.39Å; L125-L151 HydrophobicContact CD2-CD1 3.99Å; I147-L151 HydrophobicContact CG2-CD1 3.86Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 2.91Å; V148-L151 PolarHBondContact O-N 2.93Å; V149-L151 VanDerWaalsContact C-N 3.32Å; V149-L151 PolarHBondContact O-N 2.8Å; L151-K154 PolarHBondContact O-N 2.89Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 3.06Å |
| 152 | Q | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 175.5 | -71.7 | 163.8 | -1.2 | 0 | 0 | 111.9 | I122 V148 V149 K154 L155 A156 L261 M264 V265 | I122-Q152 HydrophobicContact CG2-CG 3.51Å; V148-Q152 HydrophobicContact CG1-CG 4.45Å; V148-Q152 VanDerWaalsContact O-CG 3.23Å; V148-Q152 WeakPolarHBondContact O-CG 3.4Å; V148-Q152 PolarHBondContact O-N 3.28Å; V149-Q152 PolarHBondContact O-N 3.46Å; Q152-K154 VanDerWaalsContact C-N 3.33Å; Q152-K154 PolarHBondContact O-N 3.41Å; Q152-L155 PolarHBondContact O-N 3.38Å; Q152-A156 WeakPolarHBondContact O-CB 3.27Å; Q152-A156 PolarHBondContact O-N 3.01Å; Q152-L261 HydrophobicContact CB-CD2 4.32Å; Q152-L261 HydrophobicContact CG-CD2 4.37Å; Q152-M264 HydrophobicContact CG-CG 4.43Å; Q152-M264 HydrophobicContact CG-SD 3.71Å; Q152-M264 PolarHBondContact NE2-SD 3.35Å; Q152-V265 HydrophobicContact CB-CG2 4.1Å |
| 153 | S | 87.8 | Confident | 87.9 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | V149 A156 S157 | V149-S153 WeakPolarHBondContact O-CB 3.26Å; V149-S153 PolarHBondContact O-N 3.4Å; S153-A156 PolarHBondContact O-N 3.08Å; S153-S157 PolarHBondContact O-N 2.96Å |
| 154 | K | 89.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 36.1 Ų | 36.1 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 175.4 | -69.7 | -179.6 | -177.2 | -160.3 | 0 | 112.7 | L77 S150 L151 Q152 S157 M158 | L77-K154 HydrophobicContact CD2-CB 3.6Å; L77-K154 HydrophobicContact CD2-CD 3.95Å; L77-K154 HydrophobicContact CD2-CG 4.45Å; S150-K154 VanDerWaalsContact O-CG 3.3Å; S150-K154 WeakPolarHBondContact O-CG 3.28Å; S150-K154 PolarHBondContact O-N 2.93Å; L151-K154 PolarHBondContact O-N 2.89Å; Q152-K154 VanDerWaalsContact C-N 3.33Å; Q152-K154 PolarHBondContact O-N 3.41Å; K154-S157 PolarHBondContact O-N 2.88Å; K154-M158 WeakPolarHBondContact O-CB 3.36Å; K154-M158 PolarHBondContact O-N 3.35Å |
| 155 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 175.1 | -177.4 | 64 | 0 | 0 | 0 | 111.6 | L77 I115 L118 N119 I122 L151 Q152 M158 S159 L261 | L77-L155 HydrophobicContact CD1-CB 4.33Å; L77-L155 HydrophobicContact CD1-CD1 4.15Å; I115-L155 HydrophobicContact CG1-CD1 4.45Å; I115-L155 HydrophobicContact CG2-CD1 4.22Å; L118-L155 HydrophobicContact CB-CD1 3.93Å; L118-L155 HydrophobicContact CB-CD2 4.28Å; L118-L155 HydrophobicContact CD1-CD1 4.11Å; N119-L155 HydrophobicContact CB-CD2 4Å; I122-L155 HydrophobicContact CD1-CB 4.15Å; I122-L155 HydrophobicContact CD1-CD2 3.77Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 3.06Å; Q152-L155 PolarHBondContact O-N 3.38Å; L155-M158 HydrophobicContact CD1-SD 4.48Å; L155-M158 PolarHBondContact O-N 3.34Å; L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.44Å; L155-S159 PolarHBondContact O-OG 3.21Å; L155-L261 HydrophobicContact CD2-CD1 4.28Å; L155-L261 HydrophobicContact CD2-CD2 4.16Å; L155-L261 HydrophobicContact CG-CD1 4.15Å |
| 156 | A | 89.6 | Confident | 89 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q152 S153 S159 N160 L261 | Q152-A156 WeakPolarHBondContact O-CB 3.27Å; Q152-A156 PolarHBondContact O-N 3.01Å; S153-A156 PolarHBondContact O-N 3.08Å; A156-S159 PolarHBondContact O-N 2.88Å; A156-N160 PolarHBondContact O-N 3.24Å; A156-L261 HydrophobicContact CB-CD1 3.97Å |
| 157 | S | 88.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 36.2 Ų | 36.2 | 42% | 0.42 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 173.6 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | S153 K154 S159 N160 D161 | S153-S157 PolarHBondContact O-N 2.96Å; K154-S157 PolarHBondContact O-N 2.88Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.31Å; S157-N160 WeakPolarHBondContact O-CB 3.41Å; S157-N160 PolarHBondContact O-N 3Å; S157-N160 VanDerWaalsContact O-N 3.08Å; S157-D161 PolarHBondContact O-N 3.04Å |
| 158 | M | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 177.2 | -176.4 | -172.7 | -72.9 | 0 | 0 | 112.2 | L77 T80 F81 L84 I115 K154 L155 N160 D161 F162 | L77-M158 HydrophobicContact CD1-CE 3.38Å; L77-M158 HydrophobicContact CD1-SD 4.16Å; L77-M158 HydrophobicContact CG-CE 3.82Å; L77-M158 WeakPolarHBondContact O-CE 3.38Å; T80-M158 HydrophobicContact CG2-CE 4.13Å; T80-M158 HydrophobicContact CG2-SD 3.48Å; T80-M158 WeakPolarHBondContact CG2-SD 3.44Å; F81-M158 HydrophobicContact CB-CE 4.08Å; F81-M158 HydrophobicContact CD1-CB 4.4Å; F81-M158 HydrophobicContact CD1-CE 3.92Å; F81-M158 HydrophobicContact CD1-CG 4.25Å; F81-M158 HydrophobicContact CD2-CE 3.12Å; F81-M158 HydrophobicContact CE1-CB 3.69Å; F81-M158 HydrophobicContact CE1-CE 4.13Å; F81-M158 HydrophobicContact CE1-CG 4.02Å; F81-M158 HydrophobicContact CE2-CB 4.15Å; F81-M158 HydrophobicContact CE2-CE 3.37Å; F81-M158 HydrophobicContact CG-CE 3.42Å; F81-M158 VanDerWaalsContact CG-CE 3.42Å; F81-M158 HydrophobicContact CZ-CB 3.54Å; F81-M158 HydrophobicContact CZ-CE 3.89Å; F81-M158 HydrophobicContact CZ-CG 4.22Å; L84-M158 HydrophobicContact CD2-CG 3.77Å; L84-M158 WeakPolarHBondContact CD2-O 3.31Å; I115-M158 HydrophobicContact CD1-CG 4.47Å; I115-M158 HydrophobicContact CD1-SD 4.4Å; I115-M158 HydrophobicContact CG1-SD 4Å; K154-M158 WeakPolarHBondContact O-CB 3.36Å; K154-M158 PolarHBondContact O-N 3.35Å; L155-M158 HydrophobicContact CD1-SD 4.48Å; L155-M158 PolarHBondContact O-N 3.34Å; M158-N160 VanDerWaalsContact C-N 3.27Å; M158-N160 PolarHBondContact O-N 2.61Å; M158-D161 PolarHBondContact O-N 3.4Å; M158-F162 VanDerWaalsContact O-CB 3.31Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 PolarHBondContact O-N 3.07Å |
| 159 | S | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -34.7 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | L155 A156 S157 K163 F258 | L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.44Å; L155-S159 PolarHBondContact O-OG 3.21Å; A156-S159 PolarHBondContact O-N 2.88Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.31Å; S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.39Å; S159-F258 VanDerWaalsContact C-CZ 3.42Å |
| 160 | N | 90.3 | Very high | 89.2 | Confident | 82 Ų | 82 | 38 Ų | 38 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.9 | -47.9 | 175.5 | -108 | -49.5 | 0 | 0 | 0 | 111.3 | A156 S157 M158 F162 K163 S164 F258 | A156-N160 PolarHBondContact O-N 3.24Å; S157-N160 WeakPolarHBondContact O-CB 3.41Å; S157-N160 PolarHBondContact O-N 3Å; S157-N160 VanDerWaalsContact O-N 3.08Å; M158-N160 VanDerWaalsContact C-N 3.27Å; M158-N160 PolarHBondContact O-N 2.61Å; N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.39Å; N160-K163 PolarHBondContact O-N 3.28Å; N160-S164 PolarHBondContact O-N 3.46Å; N160-S164 PolarHBondContact O-OG 2.92Å; N160-F258 HydrophobicContact CB-CE1 4.3Å; N160-F258 HydrophobicContact CB-CZ 4.12Å |
| 161 | D | 89 | Confident | 89.2 | Confident | 73 Ų | 73 | 39.3 Ų | 39.3 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -43.2 | 176.4 | -67.5 | -25.9 | 0 | 0 | 0 | 110.7 | L84 S157 M158 S164 V165 | L84-D161 HydrophobicContact CD2-CB 3.78Å; S157-D161 PolarHBondContact O-N 3.04Å; M158-D161 PolarHBondContact O-N 3.4Å; D161-S164 PolarHBondContact O-N 3.1Å; D161-V165 WeakPolarHBondContact O-CG2 3.32Å; D161-V165 PolarHBondContact O-N 3.35Å |
| 162 | F | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 175.7 | -177.4 | -134.7 | 0 | 0 | 0 | 112.4 | L84 L87 T108 I111 I115 M158 N160 S164 V165 L166 T250 L254 | L84-F162 HydrophobicContact CD1-CB 3.8Å; L84-F162 HydrophobicContact CD1-CD2 3.79Å; L84-F162 HydrophobicContact CD1-CG 4.23Å; L84-F162 HydrophobicContact CD2-CB 4.24Å; L87-F162 HydrophobicContact CD2-CD2 3.89Å; L87-F162 HydrophobicContact CD2-CE2 3.61Å; T108-F162 HydrophobicContact CG2-CE2 4.29Å; T108-F162 HydrophobicContact CG2-CZ 3.92Å; I111-F162 HydrophobicContact CB-CE2 4.15Å; I111-F162 HydrophobicContact CB-CZ 4.2Å; I111-F162 HydrophobicContact CD1-CE2 4.44Å; I111-F162 HydrophobicContact CG2-CD1 3.97Å; I111-F162 HydrophobicContact CG2-CD2 3.83Å; I111-F162 HydrophobicContact CG2-CE1 4Å; I111-F162 HydrophobicContact CG2-CE2 3.84Å; I111-F162 HydrophobicContact CG2-CG 3.89Å; I111-F162 HydrophobicContact CG2-CZ 3.92Å; I115-F162 HydrophobicContact CD1-CB 4.3Å; I115-F162 HydrophobicContact CD1-CD1 3.66Å; I115-F162 HydrophobicContact CD1-CE1 4.31Å; I115-F162 HydrophobicContact CD1-CG 4.23Å; M158-F162 VanDerWaalsContact O-CB 3.31Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 PolarHBondContact O-N 3.07Å; N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.39Å; F162-S164 PolarHBondContact O-N 3.01Å; F162-V165 PolarHBondContact O-N 3.08Å; F162-L166 HydrophobicContact CD1-CD1 4.35Å; F162-L166 HydrophobicContact CD2-CD1 4.35Å; F162-L166 HydrophobicContact CD2-CG 4.17Å; F162-L166 HydrophobicContact CE1-CD1 3.95Å; F162-L166 HydrophobicContact CE2-CD1 3.95Å; F162-L166 HydrophobicContact CE2-CD2 3.99Å; F162-L166 HydrophobicContact CE2-CG 3.92Å; F162-L166 HydrophobicContact CZ-CD1 3.75Å; F162-L166 HydrophobicContact CZ-CD2 4.38Å; F162-L166 HydrophobicContact CZ-CG 4.25Å; F162-L166 WeakPolarHBondContact O-CG 3.28Å; F162-L166 PolarHBondContact O-N 3.38Å; F162-T250 HydrophobicContact CE1-CG2 3.8Å; F162-T250 HydrophobicContact CZ-CG2 4.07Å; F162-L254 HydrophobicContact CD1-CD1 3.44Å; F162-L254 VanDerWaalsContact CD1-CD1 3.44Å; F162-L254 HydrophobicContact CD1-CD2 3.92Å; F162-L254 HydrophobicContact CD1-CG 4.24Å; F162-L254 HydrophobicContact CE1-CD1 3.8Å; F162-L254 HydrophobicContact CE1-CD2 4.32Å; F162-L254 HydrophobicContact CE1-CG 4.45Å; F162-L254 HydrophobicContact CG-CD1 4.37Å |
| 163 | K | 92 | Very high | 88.4 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 173.6 | 176.6 | 179.4 | 173.4 | -72.4 | 0 | 111.5 | S159 N160 V165 L166 E167 I251 L254 F258 | S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.39Å; N160-K163 PolarHBondContact O-N 3.28Å; K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 PolarHBondContact O-N 2.91Å; K163-L166 WeakPolarHBondContact O-CB 3.22Å; K163-L166 PolarHBondContact O-N 2.98Å; K163-E167 WeakPolarHBondContact CE-OE1 3.39Å; K163-E167 HydrophobicContact CG-CG 4.47Å; K163-E167 IonicContact NZ-OE1 2.75Å; K163-E167 PolarHBondContact NZ-OE1 3.45Å; K163-E167 IonicContact NZ-OE2 3.24Å; K163-E167 PolarHBondContact NZ-OE2 3.03Å; K163-E167 WeakPolarHBondContact O-CG 3.3Å; K163-E167 PolarHBondContact O-N 3.38Å; K163-I251 HydrophobicContact CD-CG2 4.48Å; K163-I251 HydrophobicContact CG-CG2 4.35Å; K163-L254 HydrophobicContact CB-CD1 4.36Å; K163-F258 HydrophobicContact CD-CE2 4.24Å |
| 164 | S | 89.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 179.6 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | N160 D161 F162 E167 V168 | N160-S164 PolarHBondContact O-N 3.46Å; N160-S164 PolarHBondContact O-OG 2.92Å; D161-S164 PolarHBondContact O-N 3.1Å; F162-S164 PolarHBondContact O-N 3.01Å; S164-E167 PolarHBondContact O-N 3.2Å; S164-V168 VanDerWaalsContact O-CG2 3.28Å; S164-V168 WeakPolarHBondContact O-CG2 3.41Å; S164-V168 PolarHBondContact O-N 3.37Å |
| 165 | V | 89.4 | Confident | 87.9 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L84 L87 T88 A91 D161 F162 K163 V168 R169 | L84-V165 HydrophobicContact CD1-CG2 4.34Å; L87-V165 HydrophobicContact CD2-CG1 4.04Å; L87-V165 HydrophobicContact CG-CG1 3.86Å; T88-V165 HydrophobicContact CG2-CG2 3.98Å; T88-V165 WeakPolarHBondContact OG1-CG2 3.33Å; A91-V165 HydrophobicContact CB-CG1 3.67Å; D161-V165 WeakPolarHBondContact O-CG2 3.32Å; D161-V165 PolarHBondContact O-N 3.35Å; F162-V165 PolarHBondContact O-N 3.08Å; K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 PolarHBondContact O-N 2.91Å; V165-V168 PolarHBondContact O-N 2.98Å; V165-R169 PolarHBondContact O-N 3.41Å |
| 166 | L | 89.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.4 | -70.9 | -175.9 | 0 | 0 | 0 | 111.9 | T108 F162 K163 V168 R169 T170 I247 T250 I251 L254 | T108-L166 HydrophobicContact CG2-CD2 3.89Å; F162-L166 HydrophobicContact CD1-CD1 4.35Å; F162-L166 HydrophobicContact CD2-CD1 4.35Å; F162-L166 HydrophobicContact CD2-CG 4.17Å; F162-L166 HydrophobicContact CE1-CD1 3.95Å; F162-L166 HydrophobicContact CE2-CD1 3.95Å; F162-L166 HydrophobicContact CE2-CD2 3.99Å; F162-L166 HydrophobicContact CE2-CG 3.92Å; F162-L166 HydrophobicContact CZ-CD1 3.75Å; F162-L166 HydrophobicContact CZ-CD2 4.38Å; F162-L166 HydrophobicContact CZ-CG 4.25Å; F162-L166 WeakPolarHBondContact O-CG 3.28Å; F162-L166 PolarHBondContact O-N 3.38Å; K163-L166 WeakPolarHBondContact O-CB 3.22Å; K163-L166 PolarHBondContact O-N 2.98Å; L166-V168 PolarHBondContact O-N 3.42Å; L166-R169 WeakPolarHBondContact O-CB 3.41Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-R169 VanDerWaalsContact O-N 3.12Å; L166-T170 PolarHBondContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 2.96Å; L166-T170 VanDerWaalsContact O-OG1 3.08Å; L166-I247 HydrophobicContact CB-CG2 3.78Å; L166-I247 HydrophobicContact CD1-CG2 4.33Å; L166-I247 HydrophobicContact CD2-CG1 4.27Å; L166-I247 HydrophobicContact CD2-CG2 4.05Å; L166-I247 HydrophobicContact CG-CG2 4.25Å; L166-T250 HydrophobicContact CD1-CG2 3.88Å; L166-I251 HydrophobicContact CB-CD1 4.08Å; L166-I251 HydrophobicContact CB-CG1 4.11Å; L166-I251 HydrophobicContact CD1-CG1 4.05Å; L166-L254 HydrophobicContact CD1-CD1 4.34Å |
| 167 | E | 89.9 | Confident | 86.8 | Confident | 88 Ų | 88 | 47.6 Ų | 47.6 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.1 | -73.8 | 176 | 144.2 | 0 | 0 | 111.7 | K163 S164 R169 T170 E171 I251 | K163-E167 WeakPolarHBondContact CE-OE1 3.39Å; K163-E167 HydrophobicContact CG-CG 4.47Å; K163-E167 IonicContact NZ-OE1 2.75Å; K163-E167 PolarHBondContact NZ-OE1 3.45Å; K163-E167 IonicContact NZ-OE2 3.24Å; K163-E167 PolarHBondContact NZ-OE2 3.03Å; K163-E167 WeakPolarHBondContact O-CG 3.3Å; K163-E167 PolarHBondContact O-N 3.38Å; S164-E167 PolarHBondContact O-N 3.2Å; E167-R169 VanDerWaalsContact C-N 3.29Å; E167-R169 PolarHBondContact O-N 2.88Å; E167-T170 PolarHBondContact O-N 3.38Å; E167-E171 WeakPolarHBondContact O-CB 3.46Å; E167-E171 PolarHBondContact O-N 2.96Å; E167-I251 HydrophobicContact CG-CD1 4.25Å |
| 168 | V | 86.8 | Confident | 86.5 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.6 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | S164 V165 L166 E171 N172 | S164-V168 VanDerWaalsContact O-CG2 3.28Å; S164-V168 WeakPolarHBondContact O-CG2 3.41Å; S164-V168 PolarHBondContact O-N 3.37Å; V165-V168 PolarHBondContact O-N 2.98Å; L166-V168 PolarHBondContact O-N 3.42Å; V168-E171 PolarHBondContact O-N 3.26Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.37Å; V168-N172 PolarHBondContact O-N 2.94Å; V168-N172 PolarHBondContact O-ND2 2.86Å |
| 169 | R | 82.8 | Confident | 86 | Confident | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 178.2 | 180 | 56.8 | 176.5 | 142.9 | -5.6 | 111.9 | A91 D99 I104 V165 L166 E167 E171 N172 L173 I247 | A91-R169 HydrophobicContact CB-CB 4.37Å; D99-R169 VanDerWaalsContact CG-NH2 3.3Å; D99-R169 IonicContact OD1-CZ 3.72Å; D99-R169 IonicContact OD1-NH1 2.77Å; D99-R169 IonicContact OD1-NH2 3.43Å; D99-R169 PolarHBondContact OD1-NH2 3.38Å; D99-R169 IonicContact OD2-CZ 3.24Å; D99-R169 IonicContact OD2-NH1 3.56Å; D99-R169 PolarHBondContact OD2-NH1 3.33Å; D99-R169 IonicContact OD2-NH2 2.71Å; D99-R169 PolarHBondContact OD2-NH2 3.33Å; I104-R169 HydrophobicContact CG2-CG 4.46Å; V165-R169 PolarHBondContact O-N 3.41Å; L166-R169 WeakPolarHBondContact O-CB 3.41Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-R169 VanDerWaalsContact O-N 3.12Å; E167-R169 VanDerWaalsContact C-N 3.29Å; E167-R169 PolarHBondContact O-N 2.88Å; R169-E171 VanDerWaalsContact C-N 3.33Å; R169-E171 PolarHBondContact O-N 3.08Å; R169-N172 PolarHBondContact O-N 3.06Å; R169-L173 HydrophobicContact CG-CD1 4.16Å; R169-L173 WeakPolarHBondContact O-CG 3.27Å; R169-L173 PolarHBondContact O-N 3.47Å; R169-I247 HydrophobicContact CG-CD1 3.88Å |
| 170 | T | 85.9 | Confident | 85.2 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | L166 E167 N172 L173 K174 M244 I247 | L166-T170 PolarHBondContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 2.96Å; L166-T170 VanDerWaalsContact O-OG1 3.08Å; E167-T170 PolarHBondContact O-N 3.38Å; T170-N172 PolarHBondContact O-N 3.07Å; T170-L173 PolarHBondContact O-N 2.82Å; T170-K174 WeakPolarHBondContact O-CB 3.41Å; T170-K174 PolarHBondContact O-N 3.49Å; T170-M244 HydrophobicContact CG2-CE 3.88Å; T170-M244 HydrophobicContact CG2-CG 4.21Å; T170-M244 HydrophobicContact CG2-SD 4.24Å; T170-I247 WeakPolarHBondContact OG1-CG2 3.44Å |
| 171 | E | 86.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.3 | -176.8 | 56.1 | -150.7 | 0 | 0 | 111.7 | E167 V168 R169 L173 K174 Q175 | E167-E171 WeakPolarHBondContact O-CB 3.46Å; E167-E171 PolarHBondContact O-N 2.96Å; V168-E171 PolarHBondContact O-N 3.26Å; R169-E171 VanDerWaalsContact C-N 3.33Å; R169-E171 PolarHBondContact O-N 3.08Å; E171-L173 PolarHBondContact O-N 3.4Å; E171-K174 PolarHBondContact O-N 3.41Å; E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 3.4Å; E171-Q175 WeakPolarHBondContact OE1-CG 3.4Å; E171-Q175 PolarHBondContact OE1-NE2 3.07Å |
| 172 | N | 82.6 | Confident | 83.9 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -42 | 174.8 | -81.2 | -73.7 | 0 | 0 | 0 | 112.2 | V168 R169 T170 Q175 Q176 | V168-N172 WeakPolarHBondContact CG1-ND2 3.37Å; V168-N172 PolarHBondContact O-N 2.94Å; V168-N172 PolarHBondContact O-ND2 2.86Å; R169-N172 PolarHBondContact O-N 3.06Å; T170-N172 PolarHBondContact O-N 3.07Å; N172-Q175 PolarHBondContact O-N 3Å; N172-Q176 WeakPolarHBondContact O-CB 3.16Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.49Å; N172-Q176 PolarHBondContact O-N 3.48Å |
| 173 | L | 80.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.7 | -77.5 | 164.6 | 0 | 0 | 0 | 111.1 | R169 T170 E171 Q176 R177 R240 I247 | R169-L173 HydrophobicContact CG-CD1 4.16Å; R169-L173 WeakPolarHBondContact O-CG 3.27Å; R169-L173 PolarHBondContact O-N 3.47Å; T170-L173 PolarHBondContact O-N 2.82Å; E171-L173 PolarHBondContact O-N 3.4Å; L173-Q176 PolarHBondContact O-N 3.08Å; L173-R177 WeakPolarHBondContact O-CB 3.48Å; L173-R177 PolarHBondContact O-N 2.92Å; L173-R240 HydrophobicContact CD2-CG 4.18Å; L173-I247 HydrophobicContact CD1-CD1 4.19Å |
| 174 | K | 84.1 | Confident | 81.6 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 177.5 | -173.1 | -179.2 | 179.5 | -176.9 | 0 | 112.2 | T170 E171 Q176 R177 S178 | T170-K174 WeakPolarHBondContact O-CB 3.41Å; T170-K174 PolarHBondContact O-N 3.49Å; E171-K174 PolarHBondContact O-N 3.41Å; K174-Q176 VanDerWaalsContact C-N 3.33Å; K174-Q176 PolarHBondContact O-N 2.95Å; K174-R177 PolarHBondContact O-N 3.39Å; K174-S178 WeakPolarHBondContact O-CB 3.42Å; K174-S178 PolarHBondContact O-N 3.35Å |
| 175 | Q | 82.7 | Confident | 80 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 176.4 | -73.9 | 178.6 | 20.3 | 0 | 0 | 111.9 | E171 N172 S178 R179 | E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 3.4Å; E171-Q175 WeakPolarHBondContact OE1-CG 3.4Å; E171-Q175 PolarHBondContact OE1-NE2 3.07Å; N172-Q175 PolarHBondContact O-N 3Å; Q175-S178 PolarHBondContact O-N 3.29Å; Q175-R179 WeakPolarHBondContact O-CB 3.39Å; Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.43Å |
| 176 | Q | 77.2 | Confident | 78.3 | Confident | 28 Ų | 28 | 79 Ų | 79 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.7 | -74.8 | -178.9 | -10.3 | 0 | 0 | 111.8 | L96 N172 L173 K174 R180 | L96-Q176 HydrophobicContact CD2-CG 3.75Å; N172-Q176 WeakPolarHBondContact O-CB 3.16Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.49Å; N172-Q176 PolarHBondContact O-N 3.48Å; L173-Q176 PolarHBondContact O-N 3.08Å; K174-Q176 VanDerWaalsContact C-N 3.33Å; K174-Q176 PolarHBondContact O-N 2.95Å; Q176-R180 WeakPolarHBondContact O-CB 3.36Å; Q176-R180 PolarHBondContact O-N 3.25Å |
| 177 | R | 79.5 | Confident | 76.2 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 173.6 | -176.7 | -179.9 | 175.6 | 166.5 | 7.1 | 111.6 | L173 K174 R179 R180 E181 | L173-R177 WeakPolarHBondContact O-CB 3.48Å; L173-R177 PolarHBondContact O-N 2.92Å; K174-R177 PolarHBondContact O-N 3.39Å; R177-R179 PolarHBondContact O-N 3.04Å; R177-R180 WeakPolarHBondContact O-CB 3.31Å; R177-R180 PolarHBondContact O-N 3.44Å; R177-E181 HydrophobicContact CG-CG 4.43Å; R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact CZ-OE1 3.21Å; R177-E181 IonicContact NE-OE1 3.73Å; R177-E181 PolarHBondContact NE-OE1 2.83Å; R177-E181 IonicContact NH2-OE1 3.73Å; R177-E181 WeakPolarHBondContact O-CG 3.43Å; R177-E181 PolarHBondContact O-N 3.49Å |
| 178 | S | 83.5 | Confident | 74 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 179.3 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | K174 Q175 E181 Q182 | K174-S178 WeakPolarHBondContact O-CB 3.42Å; K174-S178 PolarHBondContact O-N 3.35Å; Q175-S178 PolarHBondContact O-N 3.29Å; S178-E181 PolarHBondContact O-N 3.4Å; S178-Q182 VanDerWaalsContact O-CG 3.29Å; S178-Q182 WeakPolarHBondContact O-CG 3.49Å; S178-Q182 PolarHBondContact O-N 2.9Å |
| 179 | R | 79.8 | Confident | 72.3 | Confident | 142 Ų | 142 | 86.8 Ų | 86.8 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.5 | -73.3 | 179.9 | -174.2 | -155.9 | 0.7 | 111.1 | Q175 R177 Q182 F183 | Q175-R179 WeakPolarHBondContact O-CB 3.39Å; Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.43Å; R177-R179 PolarHBondContact O-N 3.04Å; R179-Q182 PolarHBondContact O-N 2.92Å; R179-F183 HydrophobicContact CB-CD2 4.36Å; R179-F183 HydrophobicContact CB-CE2 4.39Å; R179-F183 WeakPolarHBondContact O-CD2 3.42Å; R179-F183 PolarHBondContact O-N 2.98Å |
| 180 | R | 74.5 | Confident | 70.5 | Confident | 98 Ų | 98 | 90.6 Ų | 90.6 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.6 | -54.1 | 175.3 | -177.4 | 104.7 | 81.7 | 164.7 | 7.6 | 109.9 | Q176 R177 Q182 F183 S184 | Q176-R180 WeakPolarHBondContact O-CB 3.36Å; Q176-R180 PolarHBondContact O-N 3.25Å; R177-R180 WeakPolarHBondContact O-CB 3.31Å; R177-R180 PolarHBondContact O-N 3.44Å; R180-Q182 PolarHBondContact O-N 3.34Å; R180-Q182 VanDerWaalsContact O-N 3.15Å; R180-F183 CarbonylContact O-C 3.47Å; R180-F183 PolarHBondContact O-N 2.82Å; R180-S184 WeakPolarHBondContact O-CA 3.07Å; R180-S184 WeakPolarHBondContact O-CB 3.25Å; R180-S184 PolarHBondContact O-N 3.21Å; R180-S184 PolarHBondContact O-OG 2.89Å |
| 181 | E | 76.6 | Confident | 68.3 | Low | 92 Ų | 92 | 95 Ų | 95 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.7 | -34.1 | 179.4 | -72.1 | 170.5 | -175.9 | 0 | 0 | 112.8 | R177 S178 Q185 | R177-E181 HydrophobicContact CG-CG 4.43Å; R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact CZ-OE1 3.21Å; R177-E181 IonicContact NE-OE1 3.73Å; R177-E181 PolarHBondContact NE-OE1 2.83Å; R177-E181 IonicContact NH2-OE1 3.73Å; R177-E181 WeakPolarHBondContact O-CG 3.43Å; R177-E181 PolarHBondContact O-N 3.49Å; S178-E181 PolarHBondContact O-N 3.4Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 2.9Å |
| 182 | Q | 74.8 | Confident | 66.2 | Low | 136 Ų | 136 | 96.4 Ų | 96.4 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.5 | -29.3 | 174.9 | -72.3 | 172.5 | -6.7 | 0 | 0 | 114 | S178 R179 R180 | S178-Q182 VanDerWaalsContact O-CG 3.29Å; S178-Q182 WeakPolarHBondContact O-CG 3.49Å; S178-Q182 PolarHBondContact O-N 2.9Å; R179-Q182 PolarHBondContact O-N 2.92Å; R180-Q182 PolarHBondContact O-N 3.34Å; R180-Q182 VanDerWaalsContact O-N 3.15Å |
| 183 | F | 70.9 | Confident | 64.3 | Low | 175 Ų | 175 | 104.3 Ų | 104.3 | 77% | 0.768 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -107.4 | -12.8 | -176.7 | -65.3 | -63.3 | 0 | 0 | 0 | 114.2 | R179 R180 | R179-F183 HydrophobicContact CB-CD2 4.36Å; R179-F183 HydrophobicContact CB-CE2 4.39Å; R179-F183 WeakPolarHBondContact O-CD2 3.42Å; R179-F183 PolarHBondContact O-N 2.98Å; R180-F183 CarbonylContact O-C 3.47Å; R180-F183 PolarHBondContact O-N 2.82Å |
| 184 | S | 66.7 | Low | 62.2 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 34% | 0.343 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -107.5 | -0.8 | -179.6 | 76 | 0 | 0 | 0 | 0 | 112.8 | R180 P186 | R180-S184 WeakPolarHBondContact O-CA 3.07Å; R180-S184 WeakPolarHBondContact O-CB 3.25Å; R180-S184 PolarHBondContact O-N 3.21Å; R180-S184 PolarHBondContact O-OG 2.89Å; S184-P186 VanDerWaalsContact O-CD 3.29Å; S184-P186 WeakPolarHBondContact O-CD 3.32Å |
| 185 | Q | 54.9 | Low | 60.6 | Low | 155 Ų | 155 | 111.1 Ų | 111.1 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -61.1 | 119.5 | 159.1 | -87.2 | -170.5 | 16.5 | 0 | 0 | 107.3 | E181 | E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 2.9Å |
| 186 | P | 53.4 | Low | 58.7 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.5 | 163.2 | -4.9 | 19.1 | 0 | 0 | 0 | 106.7 | S184 A188 | S184-P186 VanDerWaalsContact O-CD 3.29Å; S184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-A188 PolarHBondContact O-N 3.44Å |
| 187 | P | 45.1 | Very low | 56.7 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 120.7 | 159.9 | 24.8 | -30.5 | 0 | 0 | 0 | 105.5 | A189 | P187-A189 VanDerWaalsContact C-N 3.35Å; P187-A189 PolarHBondContact O-N 3.15Å |
| 188 | A | 44.6 | Very low | 55.2 | Low | 81 Ų | 81 | 122.7 Ų | 122.7 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | trans | -50.3 | 105.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | P186 S190 | P186-A188 PolarHBondContact O-N 3.44Å; A188-S190 PolarHBondContact O-N 2.87Å | ||
| 189 | A | 51.1 | Low | 53.5 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -70.9 | 66.9 | 164 | 0 | 0 | 0 | 0 | 0 | 106.9 | P187 | P187-A189 VanDerWaalsContact C-N 3.35Å; P187-A189 PolarHBondContact O-N 3.15Å |
| 190 | S | 44.9 | Very low | 51.7 | Low | 91 Ų | 91 | 128.3 Ų | 128.3 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -165 | 62 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 109.6 | A188 | A188-S190 PolarHBondContact O-N 2.87Š| ||
| 191 | S | 39 | Very low | 49.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -109.1 | 108.7 | 132.3 | -78.3 | 0 | 0 | 0 | 0 | 105.7 | M193 | S191-M193 PolarHBondContact O-N 3.44Å; S191-M193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | P | 43.6 | Very low | 48.8 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -64.1 | 116.2 | 165.5 | 16.9 | -9.5 | 0 | 0 | 0 | 105.7 | M194 | P192-M194 VanDerWaalsContact C-N 3.34Å; P192-M194 PolarHBondContact O-N 3.24Å | ||
| 193 | M | 42.1 | Very low | 47.3 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -52 | 107.6 | 156 | -98.4 | -172.9 | 154.5 | 0 | 0 | 106.3 | S191 A195 | S191-M193 PolarHBondContact O-N 3.44Å; S191-M193 VanDerWaalsContact O-N 3.09Å; M193-A195 PolarHBondContact O-N 2.62Å | ||
| 194 | M | 37.9 | Very low | 46.1 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 93% | 0.931 | 77% | 0.768 | S | S | * | * | trans | -67 | 85.7 | 158.7 | -86.7 | -142.2 | -176 | 0 | 0 | 107.4 | P192 N196 | P192-M194 VanDerWaalsContact C-N 3.34Å; P192-M194 PolarHBondContact O-N 3.24Å; M194-N196 PolarHBondContact O-N 2.95Å | ||
| 195 | A | 48.8 | Very low | 44.9 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 91 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | M193 | M193-A195 PolarHBondContact O-N 2.62Š| ||
| 196 | N | 43.3 | Very low | 44 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -164.3 | 89.9 | 154.7 | -123.2 | 28.9 | 0 | 0 | 0 | 111.1 | M194 | M194-N196 PolarHBondContact O-N 2.95Š| ||
| 197 | N | 36 | Very low | 43.3 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | -178.2 | 119.8 | 112.1 | -109.1 | 7 | 0 | 0 | 0 | 112.5 | K199 | N197-K199 PolarHBondContact O-N 2.96Š| |||
| 198 | F | 48.2 | Very low | 43.4 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -43.7 | 126.7 | 155.8 | -128 | -106 | 0 | 0 | 0 | 112 | ||||
| 199 | K | 48 | Very low | 43 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | 136.3 | 120.6 | 135 | -73 | 176.6 | -174.8 | -176.9 | 0 | 113.3 | N197 | N197-K199 PolarHBondContact O-N 2.96Š| ||
| 200 | S | 41.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 116.8 | 131.7 | 142.9 | -155.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 201 | S | 37.2 | Very low | 42.2 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 86.6 | 91.5 | 163.6 | -143.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 202 | V | 52.3 | Low | 42.4 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | 62.2 | 91.5 | 74.7 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 203 | L | 44.3 | Very low | 42 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 152.8 | 104.8 | 133 | -84.6 | 162.2 | 0 | 0 | 0 | 110.6 | ||||
| 204 | M | 44 | Very low | 42 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | 160.5 | 77.7 | 138 | -81.8 | -102.5 | 112.6 | 0 | 0 | 107.3 | ||||
| 205 | Q | 42.8 | Very low | 42.1 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 116.1 | 156.5 | 170.5 | 145.6 | 13.2 | 0 | 0 | 106.4 | ||||
| 206 | D | 36.5 | Very low | 41.9 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -168.3 | 131.1 | 130.1 | -143.3 | 22.1 | 0 | 0 | 0 | 114.4 | ||||
| 207 | E | 38 | Very low | 41.9 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 46.1 | 102.8 | 148.6 | -67.3 | -113.3 | 106.8 | 0 | 0 | 123.3 | ||||
| 208 | S | 46.5 | Very low | 42.6 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | 26.2 | 119.7 | 124 | 47 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 209 | R | 36.7 | Very low | 42.2 | Very low | 248 Ų | 248 | 143.4 Ų | 143.4 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -170.1 | 117.3 | 131.8 | -104.4 | 161.6 | -178.5 | -158.1 | -0.2 | 113.5 | ||||
| 210 | S | 42.3 | Very low | 42.1 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 15.3 | 109.7 | 140.7 | 175.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 211 | M | 36.3 | Very low | 42.1 | Very low | 182 Ų | 182 | 142 Ų | 142 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -172 | 138.7 | 123.3 | -158.5 | 154.2 | 77.9 | 0 | 0 | 108.8 | D213 | M211-D213 PolarHBondContact O-N 2.99Š| |||
| 212 | G | 44.6 | Very low | 42.7 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 121.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 213 | D | 34.6 | Very low | 42.5 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -93.1 | 106.6 | 166.5 | -169.3 | 23.5 | 0 | 0 | 0 | 107.6 | M211 A215 | M211-D213 PolarHBondContact O-N 2.99Å; D213-A215 PolarHBondContact O-N 3.26Å | ||
| 214 | V | 41.8 | Very low | 43 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 80.5 | 174.8 | -170 | 0 | 0 | 0 | 0 | 106.6 | I216 | V214-I216 HydrophobicContact CG1-CG1 4.47Å; V214-I216 PolarHBondContact O-N 3.21Å | ||
| 215 | A | 41 | Very low | 43.5 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 101.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | D213 D217 | D213-A215 PolarHBondContact O-N 3.26Å; A215-D217 PolarHBondContact O-N 3Å | ||
| 216 | I | 44.2 | Very low | 44.1 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 94.8 | 165.6 | -63.7 | 178.7 | 0 | 0 | 0 | 105.9 | V214 M218 | V214-I216 HydrophobicContact CG1-CG1 4.47Å; V214-I216 PolarHBondContact O-N 3.21Å; I216-M218 VanDerWaalsContact C-N 3.31Å; I216-M218 PolarHBondContact O-N 3.49Å | ||
| 217 | D | 43 | Very low | 45.1 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | -64 | 94.4 | 165.3 | -170.7 | 33.6 | 0 | 0 | 0 | 107.3 | A215 D219 | A215-D217 PolarHBondContact O-N 3Å; D217-D219 PolarHBondContact O-N 3.42Å | ||
| 218 | M | 50.6 | Low | 46.1 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 73.5 | 176.6 | -158.4 | 166.5 | -135.3 | 0 | 0 | 107.4 | I216 S220 | I216-M218 VanDerWaalsContact C-N 3.31Å; I216-M218 PolarHBondContact O-N 3.49Å; M218-S220 PolarHBondContact O-N 3.46Å | ||
| 219 | D | 39 | Very low | 46.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | trans | -59 | 133.6 | -179.2 | -159.7 | 3.5 | 0 | 0 | 0 | 109.7 | D217 Q221 | D217-D219 PolarHBondContact O-N 3.42Å; D219-Q221 PolarHBondContact O-N 3.26Å | ||
| 220 | S | 46 | Very low | 47.8 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -72.9 | 41.7 | -169.1 | 60 | 0 | 0 | 0 | 0 | 113.7 | M218 S222 | M218-S220 PolarHBondContact O-N 3.46Å; S220-S222 PolarHBondContact O-N 3.48Å | ||
| 221 | Q | 42.6 | Very low | 48.6 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -83.5 | 99.2 | 178 | -164.8 | 158.4 | 77.3 | 0 | 0 | 109.2 | D219 N223 | D219-Q221 PolarHBondContact O-N 3.26Å; Q221-N223 PolarHBondContact O-N 3.43Å | ||
| 222 | S | 50 | Low | 49.8 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | -25.8 | 92.4 | 165.2 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | S220 P224 | S220-S222 PolarHBondContact O-N 3.48Å; S222-P224 VanDerWaalsContact O-CD 3.28Å; S222-P224 WeakPolarHBondContact O-CD 3.3Å | ||
| 223 | N | 47 | Very low | 50.6 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | trans | -84.7 | 112.6 | -176.9 | -137.8 | -3.6 | 0 | 0 | 0 | 106.7 | Q221 L225 Q226 | Q221-N223 PolarHBondContact O-N 3.43Å; N223-L225 PolarHBondContact O-N 3.37Å; N223-Q226 PolarHBondContact O-N 2.97Å | ||
| 224 | P | 54.8 | Low | 52 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.8 | -16.4 | 179.3 | 24 | -32.7 | 0 | 0 | 0 | 112.5 | S222 Q226 L227 Q228 | S222-P224 VanDerWaalsContact O-CD 3.28Å; S222-P224 WeakPolarHBondContact O-CD 3.3Å; P224-Q226 VanDerWaalsContact C-N 3.3Å; P224-Q226 PolarHBondContact O-N 3.38Å; P224-L227 PolarHBondContact O-N 2.77Å; P224-Q228 PolarHBondContact O-N 3.43Å |
| 225 | L | 55.5 | Low | 53.4 | Low | 111 Ų | 111 | 117.5 Ų | 117.5 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.3 | -28.8 | 174.2 | -154.2 | 72.9 | 0 | 0 | 0 | 113.3 | N223 L229 | N223-L225 PolarHBondContact O-N 3.37Å; L225-L229 PolarHBondContact O-N 3.3Å |
| 226 | Q | 55.6 | Low | 54.8 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76 | -32.3 | 179.3 | -165.6 | 170.5 | 17.1 | 0 | 0 | 111.9 | N223 P224 L229 I230 | N223-Q226 PolarHBondContact O-N 2.97Å; P224-Q226 VanDerWaalsContact C-N 3.3Å; P224-Q226 PolarHBondContact O-N 3.38Å; Q226-L229 PolarHBondContact O-N 3.17Å; Q226-I230 HydrophobicContact CG-CD1 4.42Å; Q226-I230 WeakPolarHBondContact O-CD1 3.37Å; Q226-I230 VanDerWaalsContact O-CG1 3.28Å; Q226-I230 WeakPolarHBondContact O-CG1 3.39Å; Q226-I230 PolarHBondContact O-N 3.39Å |
| 227 | L | 57.5 | Low | 56.2 | Low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 175.3 | -130.6 | 76.6 | 0 | 0 | 0 | 111.4 | P224 I230 D231 | P224-L227 PolarHBondContact O-N 2.77Å; L227-I230 PolarHBondContact O-N 3.28Å; L227-D231 PolarHBondContact O-N 2.86Å; L227-D231 VanDerWaalsContact O-N 3.07Å |
| 228 | Q | 58.2 | Low | 57.8 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.4 | -33.5 | 177.8 | -168.6 | 165 | -11.6 | 0 | 0 | 112.6 | P224 I230 E232 | P224-Q228 PolarHBondContact O-N 3.43Å; Q228-I230 VanDerWaalsContact C-N 3.32Å; Q228-E232 PolarHBondContact O-N 3.49Å; Q228-E232 VanDerWaalsContact O-N 3.17Å |
| 229 | L | 58.5 | Low | 58.9 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.3 | -26 | 173.2 | -86.1 | 158.8 | 0 | 0 | 0 | 113.5 | L225 Q226 Q233 | L225-L229 PolarHBondContact O-N 3.3Å; Q226-L229 PolarHBondContact O-N 3.17Å; L229-Q233 WeakPolarHBondContact O-CB 3.44Å; L229-Q233 PolarHBondContact O-N 3.17Å |
| 230 | I | 59.8 | Low | 60.6 | Low | 83 Ų | 83 | 103.5 Ų | 103.5 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.5 | -43.3 | 174.9 | -69.4 | 161.7 | 0 | 0 | 0 | 110 | Q226 L227 Q228 E232 Q233 D234 | Q226-I230 HydrophobicContact CG-CD1 4.42Å; Q226-I230 WeakPolarHBondContact O-CD1 3.37Å; Q226-I230 VanDerWaalsContact O-CG1 3.28Å; Q226-I230 WeakPolarHBondContact O-CG1 3.39Å; Q226-I230 PolarHBondContact O-N 3.39Å; L227-I230 PolarHBondContact O-N 3.28Å; Q228-I230 VanDerWaalsContact C-N 3.32Å; I230-E232 PolarHBondContact O-N 2.86Å; I230-Q233 WeakPolarHBondContact O-CA 3.32Å; I230-Q233 WeakPolarHBondContact O-CB 3.4Å; I230-Q233 PolarHBondContact O-N 3.34Å; I230-D234 PolarHBondContact O-N 3.23Å |
| 231 | D | 59.5 | Low | 62.2 | Low | 118 Ų | 118 | 99.8 Ų | 99.8 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | -179.3 | -155.4 | 35.8 | 0 | 0 | 0 | 112.3 | L227 Q233 D234 S235 | L227-D231 PolarHBondContact O-N 2.86Å; L227-D231 VanDerWaalsContact O-N 3.07Å; D231-Q233 VanDerWaalsContact C-N 3.28Å; D231-Q233 PolarHBondContact O-N 3.12Å; D231-D234 PolarHBondContact O-N 3.13Å; D231-S235 PolarHBondContact O-N 2.97Å; D231-S235 VanDerWaalsContact O-N 3.07Å |
| 232 | E | 61.1 | Low | 64 | Low | 143 Ų | 143 | 95.1 Ų | 95.1 | 67% | 0.668 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -33.3 | 173.3 | -159 | -177.2 | 115.7 | 0 | 0 | 111.7 | Q228 I230 S235 Y236 | Q228-E232 PolarHBondContact O-N 3.49Å; Q228-E232 VanDerWaalsContact O-N 3.17Å; I230-E232 PolarHBondContact O-N 2.86Å; E232-S235 PolarHBondContact O-OG 3.27Å; E232-Y236 PolarHBondContact O-N 3.18Å |
| 233 | Q | 61.7 | Low | 65.4 | Low | 77 Ų | 77 | 90.5 Ų | 90.5 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72 | -41.8 | 178.2 | -137.2 | 169.9 | 107.1 | 0 | 0 | 112.2 | L229 I230 D231 Y236 I237 | L229-Q233 WeakPolarHBondContact O-CB 3.44Å; L229-Q233 PolarHBondContact O-N 3.17Å; I230-Q233 WeakPolarHBondContact O-CA 3.32Å; I230-Q233 WeakPolarHBondContact O-CB 3.4Å; I230-Q233 PolarHBondContact O-N 3.34Å; D231-Q233 VanDerWaalsContact C-N 3.28Å; D231-Q233 PolarHBondContact O-N 3.12Å; Q233-Y236 PolarHBondContact O-N 3.03Å; Q233-I237 WeakPolarHBondContact O-CG1 3.08Å; Q233-I237 PolarHBondContact O-N 3.13Å |
| 234 | D | 65.4 | Low | 67 | Low | 90 Ų | 90 | 88 Ų | 88 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177.5 | -80.8 | -20.8 | 0 | 0 | 0 | 111.3 | I230 D231 Y236 I237 Q238 | I230-D234 PolarHBondContact O-N 3.23Å; D231-D234 PolarHBondContact O-N 3.13Å; D234-Y236 VanDerWaalsContact C-N 3.28Å; D234-Y236 PolarHBondContact O-N 2.96Å; D234-I237 PolarHBondContact O-N 2.92Å; D234-Q238 WeakPolarHBondContact O-CB 3.48Å; D234-Q238 PolarHBondContact O-N 3.31Å |
| 235 | S | 70.6 | Confident | 68.5 | Low | 73 Ų | 73 | 89 Ų | 89 | 51% | 0.51 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 176.2 | 79 | 0 | 0 | 0 | 0 | 112.8 | D231 E232 S239 | D231-S235 PolarHBondContact O-N 2.97Å; D231-S235 VanDerWaalsContact O-N 3.07Å; E232-S235 PolarHBondContact O-OG 3.27Å; S235-S239 WeakPolarHBondContact O-CB 3.28Å; S235-S239 PolarHBondContact O-N 3.43Å |
| 236 | Y | 70.1 | Confident | 69.9 | Low | 88 Ų | 88 | 87.5 Ų | 87.5 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.9 | -39.2 | 178.3 | -178.4 | -84.9 | 0 | 0 | 0 | 112.4 | E232 Q233 D234 Q238 R240 | E232-Y236 PolarHBondContact O-N 3.18Å; Q233-Y236 PolarHBondContact O-N 3.03Å; D234-Y236 VanDerWaalsContact C-N 3.28Å; D234-Y236 PolarHBondContact O-N 2.96Å; Y236-Q238 VanDerWaalsContact C-N 3.35Å; Y236-R240 HydrophobicContact CD1-CG 4.47Å; Y236-R240 VanDerWaalsContact CE1-CD 3.5Å; Y236-R240 HydrophobicContact CE1-CG 4.14Å; Y236-R240 PolarHBondContact O-N 3.46Å; Y236-R240 VanDerWaalsContact O-N 3.13Å; Y236-R240 PolarHBondContact OH-NE 3.15Å; Y236-R240 VanDerWaalsContact OH-NE 3.1Å; Y236-R240 PolarHBondContact OH-NH2 3.19Å |
| 237 | I | 72.9 | Confident | 71.4 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.9 | -67.1 | 169.5 | 0 | 0 | 0 | 109.8 | Q233 D234 R240 A241 | Q233-I237 WeakPolarHBondContact O-CG1 3.08Å; Q233-I237 PolarHBondContact O-N 3.13Å; D234-I237 PolarHBondContact O-N 2.92Å; I237-R240 PolarHBondContact O-N 2.91Å; I237-A241 PolarHBondContact O-N 3.26Å |
| 238 | Q | 76.4 | Confident | 72.8 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 177.3 | -171.8 | 61 | 38.3 | 0 | 0 | 111.3 | D234 Y236 R240 A241 D242 | D234-Q238 WeakPolarHBondContact O-CB 3.48Å; D234-Q238 PolarHBondContact O-N 3.31Å; Y236-Q238 VanDerWaalsContact C-N 3.35Å; Q238-R240 PolarHBondContact O-N 2.76Å; Q238-R240 VanDerWaalsContact O-N 3.15Å; Q238-A241 WeakPolarHBondContact O-CB 3.46Å; Q238-A241 PolarHBondContact O-N 3.08Å; Q238-D242 PolarHBondContact NE2-OD1 3.39Å; Q238-D242 VanDerWaalsContact O-CG 3.25Å; Q238-D242 PolarHBondContact O-N 3.24Å |
| 239 | S | 75.1 | Confident | 74.2 | Confident | 67 Ų | 67 | 75.5 Ų | 75.5 | 47% | 0.469 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54.1 | -38.3 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | S235 T243 | S235-S239 WeakPolarHBondContact O-CB 3.28Å; S235-S239 PolarHBondContact O-N 3.43Å; S239-T243 PolarHBondContact O-N 2.78Å; S239-T243 PolarHBondContact O-OG1 3.44Å |
| 240 | R | 74.5 | Confident | 75.7 | Confident | 33 Ų | 33 | 71 Ų | 71 | 13% | 0.125 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -76.1 | -33.9 | 177.6 | -78.4 | -161 | 163.1 | -165.3 | -0.5 | 114.8 | D99 L173 Y236 I237 Q238 D242 T243 M244 | D99-R240 IonicContact OD2-CZ 3Å; D99-R240 IonicContact OD2-NH2 2.61Å; D99-R240 PolarHBondContact OD2-NH2 3.47Å; L173-R240 HydrophobicContact CD2-CG 4.18Å; Y236-R240 HydrophobicContact CD1-CG 4.47Å; Y236-R240 VanDerWaalsContact CE1-CD 3.5Å; Y236-R240 HydrophobicContact CE1-CG 4.14Å; Y236-R240 PolarHBondContact O-N 3.46Å; Y236-R240 VanDerWaalsContact O-N 3.13Å; Y236-R240 PolarHBondContact OH-NE 3.15Å; Y236-R240 VanDerWaalsContact OH-NE 3.1Å; Y236-R240 PolarHBondContact OH-NH2 3.19Å; I237-R240 PolarHBondContact O-N 2.91Å; Q238-R240 PolarHBondContact O-N 2.76Å; Q238-R240 VanDerWaalsContact O-N 3.15Å; R240-D242 VanDerWaalsContact C-N 3.28Å; R240-T243 PolarHBondContact O-N 3.01Å; R240-M244 WeakPolarHBondContact O-CB 3.38Å; R240-M244 PolarHBondContact O-N 3.42Å |
| 241 | A | 78.5 | Confident | 77 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I237 Q238 M244 Q245 | I237-A241 PolarHBondContact O-N 3.26Å; Q238-A241 WeakPolarHBondContact O-CB 3.46Å; Q238-A241 PolarHBondContact O-N 3.08Å; A241-M244 PolarHBondContact O-N 2.83Å; A241-Q245 PolarHBondContact O-N 3.37Å |
| 242 | D | 81.4 | Confident | 78.5 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.8 | -60.6 | -22.2 | 0 | 0 | 0 | 111.3 | Q238 R240 M244 Q245 N246 | Q238-D242 PolarHBondContact NE2-OD1 3.39Å; Q238-D242 VanDerWaalsContact O-CG 3.25Å; Q238-D242 PolarHBondContact O-N 3.24Å; R240-D242 VanDerWaalsContact C-N 3.28Å; D242-M244 VanDerWaalsContact C-N 3.33Å; D242-M244 PolarHBondContact O-N 3.41Å; D242-Q245 PolarHBondContact O-N 3.29Å; D242-N246 VanDerWaalsContact O-CG 3.27Å; D242-N246 PolarHBondContact O-N 2.92Å; D242-N246 PolarHBondContact O-ND2 2.93Å |
| 243 | T | 78.4 | Confident | 79.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | S239 R240 N246 I247 | S239-T243 PolarHBondContact O-N 2.78Å; S239-T243 PolarHBondContact O-OG1 3.44Å; R240-T243 PolarHBondContact O-N 3.01Å; T243-N246 PolarHBondContact O-N 3.11Å; T243-I247 HydrophobicContact CG2-CD1 4.07Å; T243-I247 VanDerWaalsContact O-CG1 3.29Å; T243-I247 WeakPolarHBondContact O-CG1 3.47Å; T243-I247 PolarHBondContact O-N 2.96Å |
| 244 | M | 82.5 | Confident | 81 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.7 | -177.9 | 166.5 | 162 | 0 | 0 | 111.3 | T170 R240 A241 D242 N246 I247 E248 | T170-M244 HydrophobicContact CG2-CE 3.88Å; T170-M244 HydrophobicContact CG2-CG 4.21Å; T170-M244 HydrophobicContact CG2-SD 4.24Å; R240-M244 WeakPolarHBondContact O-CB 3.38Å; R240-M244 PolarHBondContact O-N 3.42Å; A241-M244 PolarHBondContact O-N 2.83Å; D242-M244 VanDerWaalsContact C-N 3.33Å; D242-M244 PolarHBondContact O-N 3.41Å; M244-N246 PolarHBondContact O-N 3.32Å; M244-I247 PolarHBondContact O-N 2.93Å; M244-E248 VanDerWaalsContact CE-OE1 3.23Å; M244-E248 WeakPolarHBondContact CE-OE1 3.42Å; M244-E248 WeakPolarHBondContact O-CG 3.22Å; M244-E248 PolarHBondContact O-N 3.21Å |
| 245 | Q | 85.1 | Confident | 82.1 | Confident | 127 Ų | 127 | 58.5 Ų | 58.5 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.4 | -40.2 | 175.1 | -174.6 | 176.4 | -4.6 | 0 | 0 | 112.2 | A241 D242 I247 E248 S249 | A241-Q245 PolarHBondContact O-N 3.37Å; D242-Q245 PolarHBondContact O-N 3.29Å; Q245-I247 VanDerWaalsContact C-N 3.33Å; Q245-I247 PolarHBondContact O-N 3.01Å; Q245-E248 PolarHBondContact O-N 3.49Å; Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 2.87Å |
| 246 | N | 85.1 | Confident | 82.9 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.3 | -72 | -21 | 0 | 0 | 0 | 112 | E105 D242 T243 M244 T250 | E105-N246 PolarHBondContact OE1-ND2 3.45Å; D242-N246 VanDerWaalsContact O-CG 3.27Å; D242-N246 PolarHBondContact O-N 2.92Å; D242-N246 PolarHBondContact O-ND2 2.93Å; T243-N246 PolarHBondContact O-N 3.11Å; M244-N246 PolarHBondContact O-N 3.32Å; N246-T250 WeakPolarHBondContact O-CB 3.41Å; N246-T250 PolarHBondContact O-N 2.75Å; N246-T250 PolarHBondContact O-OG1 2.83Å |
| 247 | I | 86.1 | Confident | 83.7 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.3 | -69.2 | 169.8 | 0 | 0 | 0 | 110.5 | L166 R169 T170 L173 T243 M244 Q245 S249 T250 I251 | L166-I247 HydrophobicContact CB-CG2 3.78Å; L166-I247 HydrophobicContact CD1-CG2 4.33Å; L166-I247 HydrophobicContact CD2-CG1 4.27Å; L166-I247 HydrophobicContact CD2-CG2 4.05Å; L166-I247 HydrophobicContact CG-CG2 4.25Å; R169-I247 HydrophobicContact CG-CD1 3.88Å; T170-I247 WeakPolarHBondContact OG1-CG2 3.44Å; L173-I247 HydrophobicContact CD1-CD1 4.19Å; T243-I247 HydrophobicContact CG2-CD1 4.07Å; T243-I247 VanDerWaalsContact O-CG1 3.29Å; T243-I247 WeakPolarHBondContact O-CG1 3.47Å; T243-I247 PolarHBondContact O-N 2.96Å; M244-I247 PolarHBondContact O-N 2.93Å; Q245-I247 VanDerWaalsContact C-N 3.33Å; Q245-I247 PolarHBondContact O-N 3.01Å; I247-S249 PolarHBondContact O-N 2.86Å; I247-T250 WeakPolarHBondContact O-CB 3.35Å; I247-T250 PolarHBondContact O-N 2.75Å; I247-T250 VanDerWaalsContact O-N 3.13Å; I247-I251 HydrophobicContact CG2-CD1 3.92Å; I247-I251 HydrophobicContact CG2-CG1 4.42Å; I247-I251 WeakPolarHBondContact O-CG1 3.48Å; I247-I251 PolarHBondContact O-N 2.97Å |
| 248 | E | 87.3 | Confident | 84.3 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 177.7 | -75.1 | 177.9 | -179.1 | 0 | 0 | 111.9 | M244 Q245 T250 I251 V252 | M244-E248 VanDerWaalsContact CE-OE1 3.23Å; M244-E248 WeakPolarHBondContact CE-OE1 3.42Å; M244-E248 WeakPolarHBondContact O-CG 3.22Å; M244-E248 PolarHBondContact O-N 3.21Å; Q245-E248 PolarHBondContact O-N 3.49Å; E248-T250 VanDerWaalsContact C-N 3.28Å; E248-T250 PolarHBondContact O-N 2.96Å; E248-I251 PolarHBondContact O-N 3.34Å; E248-V252 WeakPolarHBondContact O-CG2 3.48Å; E248-V252 PolarHBondContact O-N 3.26Å |
| 249 | S | 88.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 173.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | Q245 I247 V252 E253 | Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 2.87Å; I247-S249 PolarHBondContact O-N 2.86Å; S249-V252 PolarHBondContact O-N 3.3Å; S249-E253 WeakPolarHBondContact O-CG 3.42Å; S249-E253 PolarHBondContact O-N 3.47Å |
| 250 | T | 88.4 | Confident | 85.2 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112 | K112 F162 L166 N246 I247 E248 E253 L254 | K112-T250 HydrophobicContact CB-CG2 4.35Å; K112-T250 HydrophobicContact CD-CG2 4.14Å; K112-T250 HydrophobicContact CG-CG2 4.29Å; F162-T250 HydrophobicContact CE1-CG2 3.8Å; F162-T250 HydrophobicContact CZ-CG2 4.07Å; L166-T250 HydrophobicContact CD1-CG2 3.88Å; N246-T250 WeakPolarHBondContact O-CB 3.41Å; N246-T250 PolarHBondContact O-N 2.75Å; N246-T250 PolarHBondContact O-OG1 2.83Å; I247-T250 WeakPolarHBondContact O-CB 3.35Å; I247-T250 PolarHBondContact O-N 2.75Å; I247-T250 VanDerWaalsContact O-N 3.13Å; E248-T250 VanDerWaalsContact C-N 3.28Å; E248-T250 PolarHBondContact O-N 2.96Å; T250-E253 PolarHBondContact O-N 3.45Å; T250-L254 HydrophobicContact CG2-CD1 4.39Å; T250-L254 VanDerWaalsContact O-CG 3.28Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 3.34Å |
| 251 | I | 88.3 | Confident | 85.6 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.179 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.6 | -67.9 | 168.1 | 0 | 0 | 0 | 111 | K163 L166 E167 I247 E248 L254 G255 | K163-I251 HydrophobicContact CD-CG2 4.48Å; K163-I251 HydrophobicContact CG-CG2 4.35Å; L166-I251 HydrophobicContact CB-CD1 4.08Å; L166-I251 HydrophobicContact CB-CG1 4.11Å; L166-I251 HydrophobicContact CD1-CG1 4.05Å; E167-I251 HydrophobicContact CG-CD1 4.25Å; I247-I251 HydrophobicContact CG2-CD1 3.92Å; I247-I251 HydrophobicContact CG2-CG1 4.42Å; I247-I251 WeakPolarHBondContact O-CG1 3.48Å; I247-I251 PolarHBondContact O-N 2.97Å; E248-I251 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.16Å; I251-G255 PolarHBondContact O-N 3.1Å |
| 252 | V | 90.2 | Very high | 85.7 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 67% | 0.667 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111 | E248 S249 L254 G255 S256 | E248-V252 WeakPolarHBondContact O-CG2 3.48Å; E248-V252 PolarHBondContact O-N 3.26Å; S249-V252 PolarHBondContact O-N 3.3Å; V252-L254 PolarHBondContact O-N 3.43Å; V252-G255 WeakPolarHBondContact O-CA 3.48Å; V252-G255 PolarHBondContact O-N 3.25Å; V252-G255 VanDerWaalsContact O-N 3.07Å; V252-S256 PolarHBondContact O-N 3.25Å |
| 253 | E | 87.6 | Confident | 85.6 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176 | -75.3 | -179.6 | -145.2 | 0 | 0 | 112.2 | K112 S249 T250 G255 S256 I257 | K112-E253 WeakPolarHBondContact CE-OE2 3.48Å; K112-E253 IonicContact NZ-OE1 2.86Å; K112-E253 PolarHBondContact NZ-OE1 2.96Å; K112-E253 IonicContact NZ-OE2 2.68Å; K112-E253 PolarHBondContact NZ-OE2 2.87Å; S249-E253 WeakPolarHBondContact O-CG 3.42Å; S249-E253 PolarHBondContact O-N 3.47Å; T250-E253 PolarHBondContact O-N 3.45Å; E253-G255 PolarHBondContact O-N 2.71Å; E253-S256 WeakPolarHBondContact O-CB 3.23Å; E253-S256 PolarHBondContact O-N 3.33Å; E253-S256 PolarHBondContact O-OG 2.75Å; E253-I257 PolarHBondContact O-N 3.03Å |
| 254 | L | 88.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -35 | 173.1 | -71 | 167.5 | 0 | 0 | 0 | 111.5 | I115 F162 K163 L166 T250 I251 V252 S256 I257 F258 | I115-L254 HydrophobicContact CD1-CD2 4.21Å; I115-L254 HydrophobicContact CG2-CD2 4.2Å; F162-L254 HydrophobicContact CD1-CD1 3.44Å; F162-L254 VanDerWaalsContact CD1-CD1 3.44Å; F162-L254 HydrophobicContact CD1-CD2 3.92Å; F162-L254 HydrophobicContact CD1-CG 4.24Å; F162-L254 HydrophobicContact CE1-CD1 3.8Å; F162-L254 HydrophobicContact CE1-CD2 4.32Å; F162-L254 HydrophobicContact CE1-CG 4.45Å; F162-L254 HydrophobicContact CG-CD1 4.37Å; K163-L254 HydrophobicContact CB-CD1 4.36Å; L166-L254 HydrophobicContact CD1-CD1 4.34Å; T250-L254 HydrophobicContact CG2-CD1 4.39Å; T250-L254 VanDerWaalsContact O-CG 3.28Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.16Å; V252-L254 PolarHBondContact O-N 3.43Å; L254-S256 VanDerWaalsContact C-N 3.27Å; L254-S256 PolarHBondContact O-N 2.95Å; L254-I257 HydrophobicContact CD2-CD1 4.45Å; L254-I257 WeakPolarHBondContact O-CB 3.42Å; L254-I257 PolarHBondContact O-N 3.24Å; L254-I257 VanDerWaalsContact O-N 3.08Å; L254-F258 HydrophobicContact CB-CD2 4.5Å; L254-F258 HydrophobicContact CB-CE2 4.24Å; L254-F258 WeakPolarHBondContact O-CD2 3.38Å; L254-F258 PolarHBondContact O-N 3.33Å |
| 255 | G | 87.3 | Confident | 84.8 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.1 | -42.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I251 V252 E253 F258 Q259 | I251-G255 PolarHBondContact O-N 3.1Å; V252-G255 WeakPolarHBondContact O-CA 3.48Å; V252-G255 PolarHBondContact O-N 3.25Å; V252-G255 VanDerWaalsContact O-N 3.07Å; E253-G255 PolarHBondContact O-N 2.71Å; G255-F258 PolarHBondContact O-N 3.04Å; G255-Q259 WeakPolarHBondContact O-CG 3.24Å; G255-Q259 PolarHBondContact O-N 2.93Å; G255-Q259 VanDerWaalsContact O-N 3.1Å |
| 256 | S | 87.4 | Confident | 84.1 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 176.3 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | V252 E253 L254 Q259 Q260 | V252-S256 PolarHBondContact O-N 3.25Å; E253-S256 WeakPolarHBondContact O-CB 3.23Å; E253-S256 PolarHBondContact O-N 3.33Å; E253-S256 PolarHBondContact O-OG 2.75Å; L254-S256 VanDerWaalsContact C-N 3.27Å; L254-S256 PolarHBondContact O-N 2.95Å; S256-Q259 PolarHBondContact O-N 3.35Å; S256-Q260 WeakPolarHBondContact O-CG 3.15Å; S256-Q260 PolarHBondContact O-N 3.47Å |
| 257 | I | 87.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 176.3 | -60 | 178.7 | 0 | 0 | 0 | 110 | I115 N119 E253 L254 Q259 Q260 L261 | I115-I257 HydrophobicContact CG2-CD1 3.81Å; N119-I257 HydrophobicContact CB-CG2 4.41Å; E253-I257 PolarHBondContact O-N 3.03Å; L254-I257 HydrophobicContact CD2-CD1 4.45Å; L254-I257 WeakPolarHBondContact O-CB 3.42Å; L254-I257 PolarHBondContact O-N 3.24Å; L254-I257 VanDerWaalsContact O-N 3.08Å; I257-Q259 PolarHBondContact O-N 3.31Å; I257-Q260 PolarHBondContact O-N 2.96Å; I257-L261 HydrophobicContact CG2-CD1 3.83Å; I257-L261 HydrophobicContact CG2-CG 4.21Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.5Å; I257-L261 PolarHBondContact O-N 3.49Å |
| 258 | F | 86.3 | Confident | 81.9 | Confident | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 173.9 | -76.5 | -61.4 | 0 | 0 | 0 | 112.8 | S159 N160 K163 L254 G255 Q260 L261 A262 | S159-F258 VanDerWaalsContact C-CZ 3.42Å; N160-F258 HydrophobicContact CB-CE1 4.3Å; N160-F258 HydrophobicContact CB-CZ 4.12Å; K163-F258 HydrophobicContact CD-CE2 4.24Å; L254-F258 HydrophobicContact CB-CD2 4.5Å; L254-F258 HydrophobicContact CB-CE2 4.24Å; L254-F258 WeakPolarHBondContact O-CD2 3.38Å; L254-F258 PolarHBondContact O-N 3.33Å; G255-F258 PolarHBondContact O-N 3.04Å; F258-Q260 VanDerWaalsContact C-N 3.32Å; F258-L261 PolarHBondContact O-N 2.89Å; F258-A262 WeakPolarHBondContact O-CB 3.41Å; F258-A262 PolarHBondContact O-N 2.82Å |
| 259 | Q | 86.9 | Confident | 80.4 | Confident | 148 Ų | 148 | 62.2 Ų | 62.2 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 176 | -73.1 | 178.5 | -11.7 | 0 | 0 | 111.3 | G255 S256 I257 A262 H263 | G255-Q259 WeakPolarHBondContact O-CG 3.24Å; G255-Q259 PolarHBondContact O-N 2.93Å; G255-Q259 VanDerWaalsContact O-N 3.1Å; S256-Q259 PolarHBondContact O-N 3.35Å; I257-Q259 PolarHBondContact O-N 3.31Å; Q259-A262 PolarHBondContact O-N 3.02Å; Q259-H263 PolarHBondContact O-N 3.43Å |
| 260 | Q | 83.8 | Confident | 78.8 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -50.2 | 175.7 | -71.3 | 174.9 | 9.9 | 0 | 0 | 111.1 | N119 S256 I257 F258 A262 H263 M264 | N119-Q260 PolarHBondContact ND2-OE1 3Å; S256-Q260 WeakPolarHBondContact O-CG 3.15Å; S256-Q260 PolarHBondContact O-N 3.47Å; I257-Q260 PolarHBondContact O-N 2.96Å; F258-Q260 VanDerWaalsContact C-N 3.32Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; Q260-A262 PolarHBondContact O-N 3.48Å; Q260-H263 PolarHBondContact O-N 3.07Å; Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 PolarHBondContact O-N 3.04Å |
| 261 | L | 82.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 178.5 | -70.1 | 172.9 | 0 | 0 | 0 | 112.2 | Q152 L155 A156 I257 F258 M264 V265 | Q152-L261 HydrophobicContact CB-CD2 4.32Å; Q152-L261 HydrophobicContact CG-CD2 4.37Å; L155-L261 HydrophobicContact CD2-CD1 4.28Å; L155-L261 HydrophobicContact CD2-CD2 4.16Å; L155-L261 HydrophobicContact CG-CD1 4.15Å; A156-L261 HydrophobicContact CB-CD1 3.97Å; I257-L261 HydrophobicContact CG2-CD1 3.83Å; I257-L261 HydrophobicContact CG2-CG 4.21Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.5Å; I257-L261 PolarHBondContact O-N 3.49Å; F258-L261 PolarHBondContact O-N 2.89Å; L261-M264 HydrophobicContact CD2-SD 4.44Å; L261-M264 WeakPolarHBondContact O-CB 3.13Å; L261-M264 PolarHBondContact O-N 2.94Å; L261-V265 WeakPolarHBondContact O-CB 3.33Å; L261-V265 VanDerWaalsContact O-CG2 3.24Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.01Å |
| 262 | A | 79.9 | Confident | 75.3 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 51% | 0.512 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F258 Q259 Q260 M264 K266 | F258-A262 WeakPolarHBondContact O-CB 3.41Å; F258-A262 PolarHBondContact O-N 2.82Å; Q259-A262 PolarHBondContact O-N 3.02Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; Q260-A262 PolarHBondContact O-N 3.48Å; A262-M264 VanDerWaalsContact C-N 3.31Å; A262-K266 WeakPolarHBondContact O-CB 3.41Å; A262-K266 PolarHBondContact O-N 2.9Å |
| 263 | H | 79.6 | Confident | 73.4 | Confident | 133 Ų | 133 | 72.6 Ų | 72.6 | 62% | 0.616 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 172.8 | -174.6 | -76.8 | 0 | 0 | 0 | 110.9 | Q259 Q260 V265 K266 E267 | Q259-H263 PolarHBondContact O-N 3.43Å; Q260-H263 PolarHBondContact O-N 3.07Å; H263-V265 PolarHBondContact O-N 3.37Å; H263-K266 PolarHBondContact O-N 3.49Å; H263-E267 IonicContact CE1-OE2 3.08Å; H263-E267 PolarHBondContact O-N 3.31Å |
| 264 | M | 73.5 | Confident | 71.7 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -38.7 | -177.1 | -153.9 | -178.1 | -85.1 | 0 | 0 | 113.2 | I122 A123 Q126 Q152 Q260 L261 A262 Q268 | I122-M264 HydrophobicContact CG2-SD 4.1Å; A123-M264 HydrophobicContact CB-CE 4.2Å; Q126-M264 PolarHBondContact OE1-SD 2.85Å; Q152-M264 HydrophobicContact CG-CG 4.43Å; Q152-M264 HydrophobicContact CG-SD 3.71Å; Q152-M264 PolarHBondContact NE2-SD 3.35Å; Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 PolarHBondContact O-N 3.04Å; L261-M264 HydrophobicContact CD2-SD 4.44Å; L261-M264 WeakPolarHBondContact O-CB 3.13Å; L261-M264 PolarHBondContact O-N 2.94Å; A262-M264 VanDerWaalsContact C-N 3.31Å; M264-Q268 WeakPolarHBondContact O-CG 3.18Å; M264-Q268 PolarHBondContact O-NE2 3.42Å |
| 265 | V | 71.1 | Confident | 70 | Confident | 44 Ų | 44 | 81 Ų | 81 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.8 | -40.7 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | Q152 L261 H263 E267 Q268 E269 | Q152-V265 HydrophobicContact CB-CG2 4.1Å; L261-V265 WeakPolarHBondContact O-CB 3.33Å; L261-V265 VanDerWaalsContact O-CG2 3.24Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.01Å; H263-V265 PolarHBondContact O-N 3.37Å; V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.01Å; V265-Q268 CarbonylContact O-C 3.56Å; V265-Q268 PolarHBondContact O-N 3.21Å; V265-E269 PolarHBondContact O-N 3.08Å |
| 266 | K | 70.1 | Confident | 68.2 | Low | 165 Ų | 165 | 85.8 Ų | 85.8 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.6 | -36.8 | 178.9 | -173.5 | 179.4 | -179.3 | -178.2 | 0 | 112.7 | A262 H263 Q268 | A262-K266 WeakPolarHBondContact O-CB 3.41Å; A262-K266 PolarHBondContact O-N 2.9Å; H263-K266 PolarHBondContact O-N 3.49Å; K266-Q268 PolarHBondContact O-N 3.24Å |
| 267 | E | 66.1 | Low | 66.7 | Low | 92 Ų | 92 | 85.2 Ų | 85.2 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.5 | 174.6 | -166.6 | 176.7 | 176.7 | 0 | 0 | 112.1 | R130 H263 V265 | R130-E267 IonicContact CZ-OE1 3.66Å; R130-E267 IonicContact NH1-OE1 2.64Å; R130-E267 IonicContact NH2-OE1 3.68Å; R130-E267 PolarHBondContact NH2-OE1 2.88Å; R130-E267 VanDerWaalsContact NH2-OE1 3.08Å; H263-E267 IonicContact CE1-OE2 3.08Å; H263-E267 PolarHBondContact O-N 3.31Å; V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.01Å |
| 268 | Q | 59.1 | Low | 65.3 | Low | 12 Ų | 12 | 87.2 Ų | 87.2 | 6% | 0.056 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -11.3 | -173.7 | -62.5 | -172.2 | 46.6 | 0 | 0 | 114.7 | Q126 V149 M264 V265 K266 E270 T271 | Q126-Q268 VanDerWaalsContact CD-NE2 3.35Å; V149-Q268 HydrophobicContact CG2-CB 3.58Å; V149-Q268 HydrophobicContact CG2-CG 4.25Å; M264-Q268 WeakPolarHBondContact O-CG 3.18Å; M264-Q268 PolarHBondContact O-NE2 3.42Å; V265-Q268 CarbonylContact O-C 3.56Å; V265-Q268 PolarHBondContact O-N 3.21Å; K266-Q268 PolarHBondContact O-N 3.24Å; Q268-E270 PolarHBondContact O-N 3.39Å; Q268-T271 WeakPolarHBondContact O-CB 3.45Å; Q268-T271 PolarHBondContact O-N 3Å; Q268-T271 PolarHBondContact O-OG1 2.98Å |
| 269 | E | 55.8 | Low | 64.3 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.9 | -29.6 | -177.7 | -168.1 | 173.9 | 173.9 | 0 | 0 | 113.4 | V265 T271 I272 | V265-E269 PolarHBondContact O-N 3.08Å; E269-T271 PolarHBondContact O-N 3.32Å; E269-I272 PolarHBondContact O-N 3.17Å |
| 270 | E | 54.1 | Low | 63.2 | Low | 153 Ų | 153 | 88.5 Ų | 88.5 | 72% | 0.715 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.2 | -20.4 | 176.6 | -153.6 | -174.2 | 164.9 | 0 | 0 | 113.2 | Q268 | Q268-E270 PolarHBondContact O-N 3.39Å |
| 271 | T | 53.6 | Low | 62.5 | Low | 45 Ų | 45 | 88 Ų | 88 | 28% | 0.276 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -88 | -24.2 | -177.6 | -22.3 | 0 | 0 | 0 | 0 | 112.9 | Q268 E269 R274 | Q268-T271 WeakPolarHBondContact O-CB 3.45Å; Q268-T271 PolarHBondContact O-N 3Å; Q268-T271 PolarHBondContact O-OG1 2.98Å; E269-T271 PolarHBondContact O-N 3.32Å; T271-R274 WeakPolarHBondContact O-CB 3.46Å; T271-R274 PolarHBondContact O-N 3.23Å |
| 272 | I | 50.9 | Low | 61.9 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 40% | 0.395 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.8 | -29.2 | -177.6 | -70.4 | 177.2 | 0 | 0 | 0 | 111.9 | V149 E269 R274 I275 | V149-I272 HydrophobicContact CB-CD1 4.12Å; V149-I272 HydrophobicContact CG1-CD1 3.51Å; V149-I272 HydrophobicContact CG2-CD1 4.42Å; E269-I272 PolarHBondContact O-N 3.17Å; I272-R274 PolarHBondContact O-N 2.75Å; I272-I275 PolarHBondContact O-N 2.94Å |
| 273 | Q | 49.4 | Very low | 61.6 | Low | 152 Ų | 152 | 94.5 Ų | 94.5 | 71% | 0.71 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -8.4 | 173 | -66.1 | -177.3 | 6 | 0 | 0 | 113.4 | ||
| 274 | R | 52.7 | Low | 61.3 | Low | 148 Ų | 148 | 92.7 Ų | 92.7 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.2 | -178.2 | -60.2 | -171.8 | 177.9 | -148.9 | 0.2 | 114.9 | T271 I272 D276 A277 N278 | T271-R274 WeakPolarHBondContact O-CB 3.46Å; T271-R274 PolarHBondContact O-N 3.23Å; I272-R274 PolarHBondContact O-N 2.75Å; R274-D276 PolarHBondContact O-N 3.07Å; R274-A277 HydrophobicContact CB-CB 4.15Å; R274-A277 PolarHBondContact O-N 3.49Å; R274-N278 PolarHBondContact O-N 3.2Å; R274-N278 PolarHBondContact O-OD1 2.95Å |
| 275 | I | 51.9 | Low | 61.7 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 170.8 | -66 | 174 | 0 | 0 | 0 | 109.8 | I272 N278 V279 | I272-I275 PolarHBondContact O-N 2.94Å; I275-N278 PolarHBondContact O-N 3.4Å; I275-V279 PolarHBondContact O-N 3.21Å |
| 276 | D | 50.9 | Low | 62.2 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 70% | 0.695 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 175.5 | -65.4 | -20.6 | 0 | 0 | 0 | 111.5 | R274 N278 V279 E280 | R274-D276 PolarHBondContact O-N 3.07Å; D276-N278 VanDerWaalsContact C-N 3.35Å; D276-N278 PolarHBondContact O-N 3.37Å; D276-V279 PolarHBondContact O-N 3.33Å; D276-E280 PolarHBondContact O-N 3.29Å; D276-E280 VanDerWaalsContact O-N 3.13Å |
| 277 | A | 56.1 | Low | 62.6 | Low | 40 Ų | 40 | 97.3 Ų | 97.3 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | R274 E280 D281 | R274-A277 HydrophobicContact CB-CB 4.15Å; R274-A277 PolarHBondContact O-N 3.49Å; A277-E280 PolarHBondContact O-N 3.4Å; A277-D281 PolarHBondContact O-N 3.36Å |
| 278 | N | 57.7 | Low | 63.2 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -74.1 | -30.4 | 177.3 | -83.6 | 29 | 0 | 0 | 0 | 112.8 | R274 I275 D276 E280 T282 | R274-N278 PolarHBondContact O-N 3.2Å; R274-N278 PolarHBondContact O-OD1 2.95Å; I275-N278 PolarHBondContact O-N 3.4Å; D276-N278 VanDerWaalsContact C-N 3.35Å; D276-N278 PolarHBondContact O-N 3.37Å; N278-E280 VanDerWaalsContact C-N 3.35Å; N278-T282 WeakPolarHBondContact O-CB 3.46Å; N278-T282 PolarHBondContact O-N 3.02Å; N278-T282 VanDerWaalsContact O-N 3.07Å; N278-T282 PolarHBondContact O-OG1 3.37Å |
| 279 | V | 63.9 | Low | 64.1 | Low | 93 Ų | 93 | 97.4 Ų | 97.4 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 171 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | I275 D276 T282 Q283 | I275-V279 PolarHBondContact O-N 3.21Å; D276-V279 PolarHBondContact O-N 3.33Å; V279-T282 WeakPolarHBondContact O-CB 3.23Å; V279-T282 PolarHBondContact O-N 2.81Å; V279-Q283 PolarHBondContact O-N 2.91Å |
| 280 | E | 64.6 | Low | 65 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 177.1 | -169.9 | 150.5 | -151.1 | 0 | 0 | 112.3 | D276 A277 N278 T282 Q283 L284 | D276-E280 PolarHBondContact O-N 3.29Å; D276-E280 VanDerWaalsContact O-N 3.13Å; A277-E280 PolarHBondContact O-N 3.4Å; N278-E280 VanDerWaalsContact C-N 3.35Å; E280-T282 VanDerWaalsContact C-N 3.27Å; E280-T282 PolarHBondContact O-N 3.04Å; E280-Q283 WeakPolarHBondContact O-CB 3.47Å; E280-Q283 PolarHBondContact O-N 2.91Å; E280-Q283 VanDerWaalsContact O-N 3.16Å; E280-L284 WeakPolarHBondContact O-CG 3.47Å; E280-L284 PolarHBondContact O-N 3.33Å |
| 281 | D | 68.1 | Low | 66 | Low | 91 Ų | 91 | 93 Ų | 93 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -36.4 | 172.7 | -87.5 | -7.9 | 0 | 0 | 0 | 112.2 | A277 N285 | A277-D281 PolarHBondContact O-N 3.36Å; D281-N285 WeakPolarHBondContact O-CB 3.42Å; D281-N285 PolarHBondContact O-N 3.29Å; D281-N285 PolarHBondContact O-ND2 2.98Å |
| 282 | T | 70.9 | Confident | 67.1 | Low | 79 Ų | 79 | 96 Ų | 96 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | N278 V279 E280 N285 V286 | N278-T282 WeakPolarHBondContact O-CB 3.46Å; N278-T282 PolarHBondContact O-N 3.02Å; N278-T282 VanDerWaalsContact O-N 3.07Å; N278-T282 PolarHBondContact O-OG1 3.37Å; V279-T282 WeakPolarHBondContact O-CB 3.23Å; V279-T282 PolarHBondContact O-N 2.81Å; E280-T282 VanDerWaalsContact C-N 3.27Å; E280-T282 PolarHBondContact O-N 3.04Å; T282-N285 PolarHBondContact O-N 2.9Å; T282-V286 HydrophobicContact CG2-CG2 4.46Å; T282-V286 WeakPolarHBondContact O-CB 3.46Å; T282-V286 VanDerWaalsContact O-CG2 3.23Å; T282-V286 WeakPolarHBondContact O-CG2 3.27Å; T282-V286 PolarHBondContact O-N 3.42Å |
| 283 | Q | 72.9 | Confident | 68.5 | Low | 123 Ų | 123 | 97.8 Ų | 97.8 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 174.9 | -179.6 | 177.1 | -29.5 | 0 | 0 | 111.4 | V279 E280 N285 V286 E287 | V279-Q283 PolarHBondContact O-N 2.91Å; E280-Q283 WeakPolarHBondContact O-CB 3.47Å; E280-Q283 PolarHBondContact O-N 2.91Å; E280-Q283 VanDerWaalsContact O-N 3.16Å; Q283-N285 PolarHBondContact O-N 3.42Å; Q283-V286 PolarHBondContact O-N 3.32Å; Q283-E287 WeakPolarHBondContact O-CB 3.39Å; Q283-E287 PolarHBondContact O-N 2.99Å |
| 284 | L | 74.4 | Confident | 69.7 | Low | 95 Ų | 95 | 94.9 Ų | 94.9 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.9 | -69.9 | 173.9 | 0 | 0 | 0 | 112.4 | E280 E287 A288 | E280-L284 WeakPolarHBondContact O-CG 3.47Å; E280-L284 PolarHBondContact O-N 3.33Å; L284-E287 PolarHBondContact O-N 3.01Å; L284-A288 WeakPolarHBondContact O-CB 3.43Å; L284-A288 PolarHBondContact O-N 3.47Å |
| 285 | N | 80.6 | Confident | 70.8 | Confident | 115 Ų | 115 | 93.2 Ų | 93.2 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | 176.9 | -74.6 | -51.4 | 0 | 0 | 0 | 112.5 | D281 T282 Q283 A289 | D281-N285 WeakPolarHBondContact O-CB 3.42Å; D281-N285 PolarHBondContact O-N 3.29Å; D281-N285 PolarHBondContact O-ND2 2.98Å; T282-N285 PolarHBondContact O-N 2.9Å; Q283-N285 PolarHBondContact O-N 3.42Å; N285-A289 WeakPolarHBondContact O-CB 3.42Å; N285-A289 PolarHBondContact O-N 2.98Å |
| 286 | V | 82.1 | Confident | 71.7 | Confident | 95 Ų | 95 | 96.3 Ų | 96.3 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | T282 Q283 A289 H290 | T282-V286 HydrophobicContact CG2-CG2 4.46Å; T282-V286 WeakPolarHBondContact O-CB 3.46Å; T282-V286 VanDerWaalsContact O-CG2 3.23Å; T282-V286 WeakPolarHBondContact O-CG2 3.27Å; T282-V286 PolarHBondContact O-N 3.42Å; Q283-V286 PolarHBondContact O-N 3.32Å; V286-A289 PolarHBondContact O-N 3.48Å; V286-H290 WeakPolarHBondContact O-CB 3.34Å; V286-H290 PolarHBondContact O-N 2.89Å |
| 287 | E | 78.9 | Confident | 72.9 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 177.9 | -166.7 | 168.8 | -168.5 | 0 | 0 | 112.3 | Q283 L284 H290 T291 | Q283-E287 WeakPolarHBondContact O-CB 3.39Å; Q283-E287 PolarHBondContact O-N 2.99Å; L284-E287 PolarHBondContact O-N 3.01Å; E287-H290 PolarHBondContact O-N 3.35Å; E287-T291 PolarHBondContact O-N 3.36Å; E287-T291 PolarHBondContact O-OG1 3.42Å |
| 288 | A | 79.3 | Confident | 73.5 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L284 H290 T291 E292 | L284-A288 WeakPolarHBondContact O-CB 3.43Å; L284-A288 PolarHBondContact O-N 3.47Å; A288-H290 VanDerWaalsContact C-N 3.35Å; A288-H290 PolarHBondContact O-N 3.09Å; A288-T291 PolarHBondContact O-N 2.98Å; A288-E292 PolarHBondContact O-N 3.28Å; A288-E292 VanDerWaalsContact O-N 3.09Å |
| 289 | A | 77.5 | Confident | 74.1 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N285 V286 T291 E292 I293 | N285-A289 WeakPolarHBondContact O-CB 3.42Å; N285-A289 PolarHBondContact O-N 2.98Å; V286-A289 PolarHBondContact O-N 3.48Å; A289-T291 VanDerWaalsContact C-N 3.33Å; A289-T291 PolarHBondContact O-N 2.95Å; A289-E292 PolarHBondContact O-N 3.34Å; A289-I293 VanDerWaalsContact O-CG1 3.27Å; A289-I293 WeakPolarHBondContact O-CG1 3.48Å; A289-I293 PolarHBondContact O-N 3.43Å |
| 290 | H | 74.3 | Confident | 74.1 | Confident | 112 Ų | 112 | 101.7 Ų | 101.7 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.9 | -172.8 | -101.2 | 0 | 0 | 0 | 111.8 | V286 E287 A288 I293 L294 | V286-H290 WeakPolarHBondContact O-CB 3.34Å; V286-H290 PolarHBondContact O-N 2.89Å; E287-H290 PolarHBondContact O-N 3.35Å; A288-H290 VanDerWaalsContact C-N 3.35Å; A288-H290 PolarHBondContact O-N 3.09Å; H290-I293 PolarHBondContact O-N 2.91Å; H290-L294 VanDerWaalsContact CE1-CD1 3.48Å; H290-L294 WeakPolarHBondContact CE1-CD1 3.38Å; H290-L294 WeakPolarHBondContact O-CG 3.4Å; H290-L294 PolarHBondContact O-N 3.16Å |
| 291 | T | 75.3 | Confident | 73.9 | Confident | 65 Ų | 65 | 98.4 Ų | 98.4 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 112 | E287 A288 A289 L294 K295 | E287-T291 PolarHBondContact O-N 3.36Å; E287-T291 PolarHBondContact O-OG1 3.42Å; A288-T291 PolarHBondContact O-N 2.98Å; A289-T291 VanDerWaalsContact C-N 3.33Å; A289-T291 PolarHBondContact O-N 2.95Å; T291-L294 PolarHBondContact O-N 2.88Å; T291-K295 PolarHBondContact O-N 3.13Å |
| 292 | E | 76.5 | Confident | 73.6 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 176.5 | -71 | -58.2 | 139 | 0 | 0 | 112.5 | A288 A289 K295 Y296 | A288-E292 PolarHBondContact O-N 3.28Å; A288-E292 VanDerWaalsContact O-N 3.09Å; A289-E292 PolarHBondContact O-N 3.34Å; E292-K295 PolarHBondContact O-N 3.4Å; E292-K295 IonicContact OE1-NZ 2.81Å; E292-K295 PolarHBondContact OE1-NZ 3.23Å; E292-Y296 PolarHBondContact O-N 2.91Å |
| 293 | I | 79.9 | Confident | 73.5 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 59% | 0.585 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 173.2 | -68.7 | 165.3 | 0 | 0 | 0 | 110.9 | A289 H290 Y296 F297 | A289-I293 VanDerWaalsContact O-CG1 3.27Å; A289-I293 WeakPolarHBondContact O-CG1 3.48Å; A289-I293 PolarHBondContact O-N 3.43Å; H290-I293 PolarHBondContact O-N 2.91Å; I293-Y296 PolarHBondContact O-N 2.93Å; I293-F297 PolarHBondContact O-N 3.28Å |
| 294 | L | 75.3 | Confident | 73.6 | Confident | 92 Ų | 92 | 101.5 Ų | 101.5 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.9 | -74.6 | 178.7 | 0 | 0 | 0 | 112.1 | H290 T291 Y296 F297 Q298 | H290-L294 VanDerWaalsContact CE1-CD1 3.48Å; H290-L294 WeakPolarHBondContact CE1-CD1 3.38Å; H290-L294 WeakPolarHBondContact O-CG 3.4Å; H290-L294 PolarHBondContact O-N 3.16Å; T291-L294 PolarHBondContact O-N 2.88Å; L294-Y296 VanDerWaalsContact C-N 3.32Å; L294-Y296 PolarHBondContact O-N 2.81Å; L294-F297 PolarHBondContact O-N 2.98Å; L294-Q298 WeakPolarHBondContact O-CB 3.48Å; L294-Q298 PolarHBondContact O-N 3.4Å |
| 295 | K | 75.8 | Confident | 73.7 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -44.2 | 172.6 | -81.8 | 177.7 | -175.5 | 166.1 | 0 | 111.8 | T291 E292 Q298 S299 | T291-K295 PolarHBondContact O-N 3.13Å; E292-K295 PolarHBondContact O-N 3.4Å; E292-K295 IonicContact OE1-NZ 2.81Å; E292-K295 PolarHBondContact OE1-NZ 3.23Å; K295-Q298 PolarHBondContact O-N 3.24Å; K295-S299 PolarHBondContact O-N 2.89Å |
| 296 | Y | 71.8 | Confident | 73.6 | Confident | 167 Ų | 167 | 104.8 Ų | 104.8 | 66% | 0.655 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 176.6 | -176.6 | -99.7 | 0 | 0 | 0 | 112 | E292 I293 L294 Q298 S299 V300 | E292-Y296 PolarHBondContact O-N 2.91Å; I293-Y296 PolarHBondContact O-N 2.93Å; L294-Y296 VanDerWaalsContact C-N 3.32Å; L294-Y296 PolarHBondContact O-N 2.81Å; Y296-Q298 VanDerWaalsContact C-N 3.31Å; Y296-Q298 PolarHBondContact O-N 3.44Å; Y296-S299 PolarHBondContact O-N 3.01Å; Y296-S299 PolarHBondContact O-OG 3.4Å; Y296-V300 HydrophobicContact CD1-CG2 4.13Å; Y296-V300 HydrophobicContact CE1-CG2 3.69Å; Y296-V300 HydrophobicContact CE2-CG2 4.24Å; Y296-V300 WeakPolarHBondContact O-CG2 3.47Å; Y296-V300 PolarHBondContact O-N 3.44Å |
| 297 | F | 74.4 | Confident | 73.5 | Confident | 143 Ų | 143 | 106.2 Ų | 106.2 | 63% | 0.627 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -39.5 | 176.8 | -164.5 | -95.2 | 0 | 0 | 0 | 112 | I293 L294 V300 S301 | I293-F297 PolarHBondContact O-N 3.28Å; L294-F297 PolarHBondContact O-N 2.98Å; F297-V300 PolarHBondContact O-N 3.44Å; F297-S301 WeakPolarHBondContact O-CB 3.39Å; F297-S301 PolarHBondContact O-N 3.09Å |
| 298 | Q | 68.7 | Low | 73.8 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 177.3 | -166.9 | 176.7 | 0.3 | 0 | 0 | 112.3 | L294 K295 Y296 S301 S302 | L294-Q298 WeakPolarHBondContact O-CB 3.48Å; L294-Q298 PolarHBondContact O-N 3.4Å; K295-Q298 PolarHBondContact O-N 3.24Å; Y296-Q298 VanDerWaalsContact C-N 3.31Å; Y296-Q298 PolarHBondContact O-N 3.44Å; Q298-S301 PolarHBondContact O-N 3.33Å; Q298-S302 PolarHBondContact O-N 2.99Å |
| 299 | S | 70.2 | Confident | 74.1 | Confident | 64 Ų | 64 | 108.9 Ų | 108.9 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 175.5 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | K295 Y296 S302 | K295-S299 PolarHBondContact O-N 2.89Å; Y296-S299 PolarHBondContact O-N 3.01Å; Y296-S299 PolarHBondContact O-OG 3.4Å; S299-S302 PolarHBondContact O-N 3.35Å |
| 300 | V | 63.8 | Low | 74.6 | Confident | 70 Ų | 70 | 111.1 Ų | 111.1 | 42% | 0.424 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | Y296 F297 N303 | Y296-V300 HydrophobicContact CD1-CG2 4.13Å; Y296-V300 HydrophobicContact CE1-CG2 3.69Å; Y296-V300 HydrophobicContact CE2-CG2 4.24Å; Y296-V300 WeakPolarHBondContact O-CG2 3.47Å; Y296-V300 PolarHBondContact O-N 3.44Å; F297-V300 PolarHBondContact O-N 3.44Å; V300-N303 PolarHBondContact O-N 3.03Å |
| 301 | S | 60.7 | Low | 75.3 | Confident | 54 Ų | 54 | 111.6 Ų | 111.6 | 38% | 0.378 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | F297 Q298 N303 R304 | F297-S301 WeakPolarHBondContact O-CB 3.39Å; F297-S301 PolarHBondContact O-N 3.09Å; Q298-S301 PolarHBondContact O-N 3.33Å; S301-N303 PolarHBondContact O-N 3.29Å; S301-R304 VanDerWaalsContact O-CB 3.32Å; S301-R304 WeakPolarHBondContact O-CB 3.46Å; S301-R304 WeakPolarHBondContact O-CG 3.32Å; S301-R304 PolarHBondContact O-N 3.43Å |
| 302 | S | 61.4 | Low | 76.1 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.6 | -33.6 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 113 | Q298 S299 R304 W305 | Q298-S302 PolarHBondContact O-N 2.99Å; S299-S302 PolarHBondContact O-N 3.35Å; S302-R304 PolarHBondContact O-N 3.02Å; S302-R304 VanDerWaalsContact O-N 3.08Å; S302-W305 PolarHBondContact O-N 3.08Å; S302-W305 VanDerWaalsContact O-N 3.12Å |
| 303 | N | 69.2 | Low | 76.7 | Confident | 100 Ų | 100 | 113 Ų | 113 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -18.2 | 177.7 | -73.8 | -34.6 | 0 | 0 | 0 | 113.8 | V300 S301 W305 L306 M307 | V300-N303 PolarHBondContact O-N 3.03Å; S301-N303 PolarHBondContact O-N 3.29Å; N303-W305 VanDerWaalsContact C-N 3.34Å; N303-L306 PolarHBondContact O-N 3.21Å; N303-M307 PolarHBondContact O-N 2.91Å |
| 304 | R | 75.8 | Confident | 77.1 | Confident | 177 Ų | 177 | 112.7 Ų | 112.7 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.7 | -37.4 | 175.2 | -64.5 | -177.8 | 175.6 | -178.7 | -0.5 | 112.1 | S301 S302 L306 M307 I308 | S301-R304 VanDerWaalsContact O-CB 3.32Å; S301-R304 WeakPolarHBondContact O-CB 3.46Å; S301-R304 WeakPolarHBondContact O-CG 3.32Å; S301-R304 PolarHBondContact O-N 3.43Å; S302-R304 PolarHBondContact O-N 3.02Å; S302-R304 VanDerWaalsContact O-N 3.08Å; R304-L306 VanDerWaalsContact C-N 3.33Å; R304-M307 PolarHBondContact O-N 2.9Å; R304-I308 WeakPolarHBondContact O-CG1 3.44Å; R304-I308 PolarHBondContact O-N 3.03Å |
| 305 | W | 75.6 | Confident | 77.8 | Confident | 179 Ų | 179 | 111.8 Ų | 111.8 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -35.1 | 175.4 | -103.8 | 88 | 0 | 0 | 0 | 112.1 | S302 N303 I308 K309 | S302-W305 PolarHBondContact O-N 3.08Å; S302-W305 VanDerWaalsContact O-N 3.12Å; N303-W305 VanDerWaalsContact C-N 3.34Å; W305-I308 PolarHBondContact O-N 3.34Å; W305-K309 WeakPolarHBondContact O-CG 3.39Å; W305-K309 PolarHBondContact O-N 2.92Å; W305-K309 VanDerWaalsContact O-N 3.12Å |
| 306 | L | 80.3 | Confident | 78.5 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 173.5 | -175.3 | 142.3 | 0 | 0 | 0 | 111.3 | N303 R304 K309 I310 | N303-L306 PolarHBondContact O-N 3.21Å; R304-L306 VanDerWaalsContact C-N 3.33Å; L306-K309 PolarHBondContact O-N 3.45Å; L306-I310 HydrophobicContact CD2-CD1 3.6Å; L306-I310 HydrophobicContact CG-CD1 4.43Å; L306-I310 WeakPolarHBondContact O-CG1 3.3Å; L306-I310 PolarHBondContact O-N 2.95Å; L306-I310 VanDerWaalsContact O-N 3.12Å |
| 307 | M | 78.2 | Confident | 79.4 | Confident | 125 Ų | 125 | 108.3 Ų | 108.3 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 176.6 | -158 | -83.3 | -88.8 | 0 | 0 | 112 | N303 R304 K309 I310 F311 | N303-M307 PolarHBondContact O-N 2.91Å; R304-M307 PolarHBondContact O-N 2.9Å; M307-K309 PolarHBondContact O-N 3.45Å; M307-I310 PolarHBondContact O-N 3.02Å; M307-F311 WeakPolarHBondContact O-CB 3.37Å; M307-F311 PolarHBondContact O-N 3.12Å |
| 308 | I | 85.2 | Confident | 80.1 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.2 | -70.6 | 165.1 | 0 | 0 | 0 | 111.7 | R304 W305 F311 L312 | R304-I308 WeakPolarHBondContact O-CG1 3.44Å; R304-I308 PolarHBondContact O-N 3.03Å; W305-I308 PolarHBondContact O-N 3.34Å; I308-F311 PolarHBondContact O-N 3.15Å; I308-L312 PolarHBondContact O-N 3.12Å |
| 309 | K | 87.2 | Confident | 81.1 | Confident | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 178.1 | -73.4 | 179.4 | 179.6 | -178.3 | 0 | 112.1 | W305 L306 M307 F311 L312 V313 | W305-K309 WeakPolarHBondContact O-CG 3.39Å; W305-K309 PolarHBondContact O-N 2.92Å; W305-K309 VanDerWaalsContact O-N 3.12Å; L306-K309 PolarHBondContact O-N 3.45Å; M307-K309 PolarHBondContact O-N 3.45Å; K309-F311 VanDerWaalsContact C-N 3.34Å; K309-L312 PolarHBondContact O-N 3.29Å; K309-V313 WeakPolarHBondContact O-CG2 3.43Å; K309-V313 PolarHBondContact O-N 3.31Å; K309-V313 VanDerWaalsContact O-N 3.15Å |
| 310 | I | 86.8 | Confident | 82 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.8 | -69.1 | 170.1 | 0 | 0 | 0 | 110.6 | L306 M307 L312 V313 L314 | L306-I310 HydrophobicContact CD2-CD1 3.6Å; L306-I310 HydrophobicContact CG-CD1 4.43Å; L306-I310 WeakPolarHBondContact O-CG1 3.3Å; L306-I310 PolarHBondContact O-N 2.95Å; L306-I310 VanDerWaalsContact O-N 3.12Å; M307-I310 PolarHBondContact O-N 3.02Å; I310-L312 VanDerWaalsContact C-N 3.35Å; I310-L312 PolarHBondContact O-N 3.45Å; I310-V313 PolarHBondContact O-N 3.11Å; I310-L314 HydrophobicContact CG2-CD1 4.42Å; I310-L314 WeakPolarHBondContact O-CG 3.34Å; I310-L314 PolarHBondContact O-N 3.33Å; I310-L314 VanDerWaalsContact O-N 3.09Å |
| 311 | F | 89.4 | Confident | 83.2 | Confident | 122 Ų | 122 | 108.2 Ų | 108.2 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.6 | -174.3 | -107.6 | 0 | 0 | 0 | 112.7 | M307 I308 K309 L314 I315 | M307-F311 WeakPolarHBondContact O-CB 3.37Å; M307-F311 PolarHBondContact O-N 3.12Å; I308-F311 PolarHBondContact O-N 3.15Å; K309-F311 VanDerWaalsContact C-N 3.34Å; F311-L314 PolarHBondContact O-N 3.39Å; F311-I315 HydrophobicContact CD1-CD1 3.74Å; F311-I315 HydrophobicContact CE1-CD1 3.3Å; F311-I315 HydrophobicContact CE1-CG1 4.27Å; F311-I315 HydrophobicContact CZ-CD1 3.8Å; F311-I315 HydrophobicContact CZ-CG1 4.41Å; F311-I315 PolarHBondContact O-N 3.33Å |
| 312 | L | 91 | Very high | 84.6 | Confident | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 178.5 | -153.9 | 157.7 | 0 | 0 | 0 | 111.6 | I308 K309 I310 L314 I315 V316 | I308-L312 PolarHBondContact O-N 3.12Å; K309-L312 PolarHBondContact O-N 3.29Å; I310-L312 VanDerWaalsContact C-N 3.35Å; I310-L312 PolarHBondContact O-N 3.45Å; L312-L314 VanDerWaalsContact C-N 3.32Å; L312-L314 PolarHBondContact O-N 3.49Å; L312-I315 PolarHBondContact O-N 3.41Å; L312-V316 HydrophobicContact CD2-CG2 4.01Å; L312-V316 WeakPolarHBondContact O-CG2 3.35Å; L312-V316 PolarHBondContact O-N 3.48Å |
| 313 | V | 89.6 | Confident | 86 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | K309 I310 V316 F317 | K309-V313 WeakPolarHBondContact O-CG2 3.43Å; K309-V313 PolarHBondContact O-N 3.31Å; K309-V313 VanDerWaalsContact O-N 3.15Å; I310-V313 PolarHBondContact O-N 3.11Å; V313-V316 PolarHBondContact O-N 3.35Å; V313-F317 WeakPolarHBondContact O-CB 3.41Å; V313-F317 PolarHBondContact O-N 3.44Å |
| 314 | L | 89.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 112.4 Ų | 112.4 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -39.6 | 176.1 | -71.5 | 176.4 | 0 | 0 | 0 | 112.6 | I310 F311 L312 F317 F318 | I310-L314 HydrophobicContact CG2-CD1 4.42Å; I310-L314 WeakPolarHBondContact O-CG 3.34Å; I310-L314 PolarHBondContact O-N 3.33Å; I310-L314 VanDerWaalsContact O-N 3.09Å; F311-L314 PolarHBondContact O-N 3.39Å; L312-L314 VanDerWaalsContact C-N 3.32Å; L312-L314 PolarHBondContact O-N 3.49Å; L314-F317 PolarHBondContact O-N 3.12Å; L314-F318 WeakPolarHBondContact O-CB 3.44Å; L314-F318 PolarHBondContact O-N 2.84Å |
| 315 | I | 89.4 | Confident | 86.5 | Confident | 73 Ų | 73 | 111.8 Ų | 111.8 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.7 | -73.8 | 170.3 | 0 | 0 | 0 | 111 | F311 L312 F317 F318 I319 | F311-I315 HydrophobicContact CD1-CD1 3.74Å; F311-I315 HydrophobicContact CE1-CD1 3.3Å; F311-I315 HydrophobicContact CE1-CG1 4.27Å; F311-I315 HydrophobicContact CZ-CD1 3.8Å; F311-I315 HydrophobicContact CZ-CG1 4.41Å; F311-I315 PolarHBondContact O-N 3.33Å; L312-I315 PolarHBondContact O-N 3.41Å; I315-F317 VanDerWaalsContact C-N 3.32Å; I315-F317 PolarHBondContact O-N 3.46Å; I315-F318 PolarHBondContact O-N 3.3Å; I315-I319 HydrophobicContact CG2-CD1 3.88Å; I315-I319 HydrophobicContact CG2-CG1 4.45Å; I315-I319 WeakPolarHBondContact O-CG1 3.14Å; I315-I319 PolarHBondContact O-N 2.99Å |
| 316 | V | 90.8 | Very high | 85.7 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 42% | 0.424 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 179.1 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L312 V313 F318 I319 I320 | L312-V316 HydrophobicContact CD2-CG2 4.01Å; L312-V316 WeakPolarHBondContact O-CG2 3.35Å; L312-V316 PolarHBondContact O-N 3.48Å; V313-V316 PolarHBondContact O-N 3.35Å; V316-F318 VanDerWaalsContact C-N 3.34Å; V316-F318 PolarHBondContact O-N 2.87Å; V316-I319 PolarHBondContact O-N 2.92Å; V316-I320 HydrophobicContact CG1-CD1 3.95Å; V316-I320 WeakPolarHBondContact O-CG1 3.43Å; V316-I320 PolarHBondContact O-N 3.31Å |
| 317 | F | 89.3 | Confident | 86 | Confident | 137 Ų | 137 | 109.9 Ų | 109.9 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.8 | -42.9 | 175.2 | -177 | -97.9 | 0 | 0 | 0 | 112.1 | V313 L314 I315 I320 F321 | V313-F317 WeakPolarHBondContact O-CB 3.41Å; V313-F317 PolarHBondContact O-N 3.44Å; L314-F317 PolarHBondContact O-N 3.12Å; I315-F317 VanDerWaalsContact C-N 3.32Å; I315-F317 PolarHBondContact O-N 3.46Å; F317-I320 PolarHBondContact O-N 3.37Å; F317-F321 WeakPolarHBondContact O-CB 3.38Å; F317-F321 PolarHBondContact O-N 3.47Å |
| 318 | F | 90.2 | Very high | 86.4 | Confident | 132 Ų | 132 | 109.1 Ų | 109.1 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -43.6 | 177 | 179.7 | -97.6 | 0 | 0 | 0 | 112.3 | L314 I315 V316 F321 V322 | L314-F318 WeakPolarHBondContact O-CB 3.44Å; L314-F318 PolarHBondContact O-N 2.84Å; I315-F318 PolarHBondContact O-N 3.3Å; V316-F318 VanDerWaalsContact C-N 3.34Å; V316-F318 PolarHBondContact O-N 2.87Å; F318-F321 PolarHBondContact O-N 3.22Å; F318-V322 HydrophobicContact CD1-CG2 4.28Å; F318-V322 HydrophobicContact CE1-CG2 3.86Å; F318-V322 HydrophobicContact CE2-CG2 4.17Å; F318-V322 HydrophobicContact CZ-CG2 3.8Å; F318-V322 WeakPolarHBondContact O-CG2 3.49Å; F318-V322 PolarHBondContact O-N 3.34Å |
| 319 | I | 89.3 | Confident | 86.5 | Confident | 95 Ų | 95 | 110 Ų | 110 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -45.8 | 177.1 | -68.1 | 170.5 | 0 | 0 | 0 | 110.6 | I315 V316 F321 V322 V323 | I315-I319 HydrophobicContact CG2-CD1 3.88Å; I315-I319 HydrophobicContact CG2-CG1 4.45Å; I315-I319 WeakPolarHBondContact O-CG1 3.14Å; I315-I319 PolarHBondContact O-N 2.99Å; V316-I319 PolarHBondContact O-N 2.92Å; I319-F321 VanDerWaalsContact C-N 3.32Å; I319-F321 PolarHBondContact O-N 3.45Å; I319-V322 PolarHBondContact O-N 3.39Å; I319-V323 HydrophobicContact CG2-CG2 4.38Å; I319-V323 WeakPolarHBondContact O-CB 3.38Å; I319-V323 VanDerWaalsContact O-CG2 3.3Å; I319-V323 WeakPolarHBondContact O-CG2 3.33Å; I319-V323 PolarHBondContact O-N 2.93Å |
| 320 | I | 89.1 | Confident | 86.4 | Confident | 90 Ų | 90 | 108.5 Ų | 108.5 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.4 | -45.2 | 176.7 | -68.1 | 169.8 | 0 | 0 | 0 | 110.1 | V316 F317 V322 V323 F324 | V316-I320 HydrophobicContact CG1-CD1 3.95Å; V316-I320 WeakPolarHBondContact O-CG1 3.43Å; V316-I320 PolarHBondContact O-N 3.31Å; F317-I320 PolarHBondContact O-N 3.37Å; I320-V322 PolarHBondContact O-N 3.02Å; I320-V323 PolarHBondContact O-N 3.02Å; I320-F324 HydrophobicContact CG2-CD2 3.85Å; I320-F324 HydrophobicContact CG2-CE2 4.28Å; I320-F324 WeakPolarHBondContact O-CB 3.37Å; I320-F324 WeakPolarHBondContact O-CD2 3.44Å; I320-F324 PolarHBondContact O-N 3.27Å |
| 321 | F | 90 | Very high | 86.4 | Confident | 103 Ų | 103 | 109.3 Ų | 109.3 | 45% | 0.452 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.1 | -48 | 177.9 | 179.8 | -96.5 | 0 | 0 | 0 | 111.8 | F317 F318 I319 V323 F324 F325 | F317-F321 WeakPolarHBondContact O-CB 3.38Å; F317-F321 PolarHBondContact O-N 3.47Å; F318-F321 PolarHBondContact O-N 3.22Å; I319-F321 VanDerWaalsContact C-N 3.32Å; I319-F321 PolarHBondContact O-N 3.45Å; F321-V323 VanDerWaalsContact C-N 3.35Å; F321-V323 PolarHBondContact O-N 2.96Å; F321-F324 PolarHBondContact O-N 3.46Å; F321-F325 HydrophobicContact CD2-CB 4.21Å; F321-F325 AromaticContact CD2-CD2 3.86Å; F321-F325 HydrophobicContact CD2-CD2 3.86Å; F321-F325 HydrophobicContact CD2-CG 4.23Å; F321-F325 HydrophobicContact CE2-CB 3.95Å; F321-F325 AromaticContact CE2-CD2 3.94Å; F321-F325 HydrophobicContact CE2-CD2 3.94Å; F321-F325 AromaticContact CE2-CG 3.92Å; F321-F325 HydrophobicContact CE2-CG 3.92Å; F321-F325 HydrophobicContact CZ-CB 4.12Å; F321-F325 HydrophobicContact CZ-CG 4.48Å; F321-F325 WeakPolarHBondContact O-CA 3.41Å; F321-F325 VanDerWaalsContact O-CB 3.3Å; F321-F325 WeakPolarHBondContact O-CB 3.3Å; F321-F325 PolarHBondContact O-N 2.98Å |
| 322 | V | 89.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 108.5 Ų | 108.5 | 37% | 0.37 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -40.6 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F318 I319 I320 A326 | F318-V322 HydrophobicContact CD1-CG2 4.28Å; F318-V322 HydrophobicContact CE1-CG2 3.86Å; F318-V322 HydrophobicContact CE2-CG2 4.17Å; F318-V322 HydrophobicContact CZ-CG2 3.8Å; F318-V322 WeakPolarHBondContact O-CG2 3.49Å; F318-V322 PolarHBondContact O-N 3.34Å; I319-V322 PolarHBondContact O-N 3.39Å; I320-V322 PolarHBondContact O-N 3.02Å; V322-A326 HydrophobicContact CG1-CB 4.28Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.96Å; V322-A326 VanDerWaalsContact O-N 3.11Å |
| 323 | V | 89.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 108.8 Ų | 108.8 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72 | -30 | -178.1 | 171.1 | 0 | 0 | 0 | 0 | 113 | I319 I320 F321 | I319-V323 HydrophobicContact CG2-CG2 4.38Å; I319-V323 WeakPolarHBondContact O-CB 3.38Å; I319-V323 VanDerWaalsContact O-CG2 3.3Å; I319-V323 WeakPolarHBondContact O-CG2 3.33Å; I319-V323 PolarHBondContact O-N 2.93Å; I320-V323 PolarHBondContact O-N 3.02Å; F321-V323 VanDerWaalsContact C-N 3.35Å; F321-V323 PolarHBondContact O-N 2.96Å |
| 324 | F | 83.5 | Confident | 85.6 | Confident | 161 Ų | 161 | 109.4 Ų | 109.4 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -100.8 | -22.6 | -176.6 | -81.2 | -87.1 | 0 | 0 | 0 | 114.6 | I320 F321 | I320-F324 HydrophobicContact CG2-CD2 3.85Å; I320-F324 HydrophobicContact CG2-CE2 4.28Å; I320-F324 WeakPolarHBondContact O-CB 3.37Å; I320-F324 WeakPolarHBondContact O-CD2 3.44Å; I320-F324 PolarHBondContact O-N 3.27Å; F321-F324 PolarHBondContact O-N 3.46Å |
| 325 | F | 73.1 | Confident | 85.2 | Confident | 164 Ų | 164 | 109.7 Ų | 109.7 | 72% | 0.719 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -116 | -11.8 | -177.6 | -85.6 | -86.6 | 0 | 0 | 0 | 115 | F321 | F321-F325 HydrophobicContact CD2-CB 4.21Å; F321-F325 AromaticContact CD2-CD2 3.86Å; F321-F325 HydrophobicContact CD2-CD2 3.86Å; F321-F325 HydrophobicContact CD2-CG 4.23Å; F321-F325 HydrophobicContact CE2-CB 3.95Å; F321-F325 AromaticContact CE2-CD2 3.94Å; F321-F325 HydrophobicContact CE2-CD2 3.94Å; F321-F325 AromaticContact CE2-CG 3.92Å; F321-F325 HydrophobicContact CE2-CG 3.92Å; F321-F325 HydrophobicContact CZ-CB 4.12Å; F321-F325 HydrophobicContact CZ-CG 4.48Å; F321-F325 WeakPolarHBondContact O-CA 3.41Å; F321-F325 VanDerWaalsContact O-CB 3.3Å; F321-F325 WeakPolarHBondContact O-CB 3.3Å; F321-F325 PolarHBondContact O-N 2.98Å |
| 326 | A | 58.4 | Low | 84.8 | Confident | 129 Ų | 129 | 113 Ų | 113 | 100% | 1.066 | 59% | 0.589 | S | S | * | * | trans | -97.3 | 0 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V322 | V322-A326 HydrophobicContact CG1-CB 4.28Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.96Å; V322-A326 VanDerWaalsContact O-N 3.11Å |
Retrieved 326 of 326 residues in 777 ms
(Link to these results)