| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.4 | Very low | 42.3 | Very low | 221 Ų | 221 | 147.6 Ų | 147.6 | 100% | 1.089 | 71% | 0.705 | S | S | * | * | 0 | -10.1 | 0 | -84.2 | -178.6 | 172.3 | 0 | 0 | 115.2 | R3 | M1-R3 PolarHBondContact O-N 3.35Š| |||
| 2 | Q | 35.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -57.4 | -38.9 | -175.4 | -87.4 | 79.7 | -16.5 | 0 | 0 | 116.3 | S4 R5 G6 | Q2-S4 PolarHBondContact O-N 3.28Å; Q2-R5 WeakPolarHBondContact O-CB 3.4Å; Q2-R5 PolarHBondContact O-N 2.97Å; Q2-R5 VanDerWaalsContact O-N 3.16Å; Q2-G6 PolarHBondContact O-N 3.45Å |
| 3 | R | 35.8 | Very low | 43.5 | Very low | 234 Ų | 234 | 137.2 Ų | 137.2 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.5 | -34.7 | -164.1 | -154 | 170.7 | -173.7 | 169.4 | 1.1 | 114.6 | M1 | M1-R3 PolarHBondContact O-N 3.35Å |
| 4 | S | 38.3 | Very low | 44.3 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.7 | -35.9 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | Q2 G6 M7 L8 | Q2-S4 PolarHBondContact O-N 3.28Å; S4-G6 PolarHBondContact O-N 2.71Å; S4-M7 PolarHBondContact O-N 3.49Å; S4-L8 PolarHBondContact O-N 3.09Å |
| 5 | R | 42.3 | Very low | 44.6 | Very low | 213 Ų | 213 | 132.7 Ų | 132.7 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.1 | -27.4 | -180 | -157.1 | 172.8 | -176.7 | -179.9 | 0.2 | 112.4 | Q2 K9 | Q2-R5 WeakPolarHBondContact O-CB 3.4Å; Q2-R5 PolarHBondContact O-N 2.97Å; Q2-R5 VanDerWaalsContact O-N 3.16Å; R5-K9 WeakPolarHBondContact O-CB 3.34Å; R5-K9 PolarHBondContact O-N 3.45Å |
| 6 | G | 40.8 | Very low | 45.2 | Very low | 43 Ų | 43 | 132 Ų | 132 | 44% | 0.443 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -70.9 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q2 S4 K9 S10 | Q2-G6 PolarHBondContact O-N 3.45Å; S4-G6 PolarHBondContact O-N 2.71Å; G6-K9 PolarHBondContact O-N 3.44Å; G6-S10 WeakPolarHBondContact O-CB 3.49Å; G6-S10 PolarHBondContact O-N 3.32Å |
| 7 | M | 42.5 | Very low | 45.7 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 59% | 0.591 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.7 | -36.6 | -178.1 | -65 | -173.7 | 74.9 | 0 | 0 | 112.7 | S4 R11 | S4-M7 PolarHBondContact O-N 3.49Å; M7-R11 WeakPolarHBondContact O-CG 3.43Å; M7-R11 PolarHBondContact O-N 2.72Å; M7-R11 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 43.3 | Very low | 46 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.2 | -44.2 | 172.6 | -125.9 | 78.1 | 0 | 0 | 0 | 111.4 | S4 R11 C12 | S4-L8 PolarHBondContact O-N 3.09Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-C12 PolarHBondContact O-N 3.11Å; L8-C12 VanDerWaalsContact O-N 3.07Å |
| 9 | K | 45.7 | Very low | 45.8 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.3 | -42.2 | 180 | -155.5 | 171.8 | -173.5 | -176.8 | 0 | 111.6 | R5 G6 R11 C12 C13 | R5-K9 WeakPolarHBondContact O-CB 3.34Å; R5-K9 PolarHBondContact O-N 3.45Å; G6-K9 PolarHBondContact O-N 3.44Å; K9-R11 PolarHBondContact O-N 3.32Å; K9-C12 PolarHBondContact O-N 3.06Å; K9-C13 PolarHBondContact O-N 2.93Å; K9-C13 PolarHBondContact O-SG 3.16Å |
| 10 | S | 46.1 | Very low | 45.9 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60.8 | -42.9 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | G6 C13 V14 | G6-S10 WeakPolarHBondContact O-CB 3.49Å; G6-S10 PolarHBondContact O-N 3.32Å; S10-C13 PolarHBondContact O-N 2.91Å; S10-V14 PolarHBondContact O-N 3.4Å |
| 11 | R | 51.3 | Low | 46.3 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.7 | -35.9 | 178.5 | -70.8 | -179.7 | 179.9 | -146.6 | -1.2 | 113.3 | M7 L8 K9 L15 | M7-R11 WeakPolarHBondContact O-CG 3.43Å; M7-R11 PolarHBondContact O-N 2.72Å; M7-R11 VanDerWaalsContact O-N 3.15Å; L8-R11 PolarHBondContact O-N 3.11Å; K9-R11 PolarHBondContact O-N 3.32Å; R11-L15 PolarHBondContact O-N 3.13Å |
| 12 | C | 47.4 | Very low | 46.6 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 51% | 0.507 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67 | -36.9 | 171.2 | -77.5 | 0 | 0 | 0 | 0 | 112.9 | L8 K9 L15 L16 | L8-C12 PolarHBondContact O-N 3.11Å; L8-C12 VanDerWaalsContact O-N 3.07Å; K9-C12 PolarHBondContact O-N 3.06Å; C12-L15 PolarHBondContact O-N 3.07Å; C12-L16 WeakPolarHBondContact O-CD1 3.22Å; C12-L16 PolarHBondContact O-N 3.05Å |
| 13 | C | 53.3 | Low | 47.2 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 57% | 0.568 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.6 | -36.2 | 179.6 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | K9 S10 G17 | K9-C13 PolarHBondContact O-N 2.93Å; K9-C13 PolarHBondContact O-SG 3.16Å; S10-C13 PolarHBondContact O-N 2.91Å; C13-G17 PolarHBondContact O-N 2.88Å; C13-G17 VanDerWaalsContact O-N 3.08Å |
| 14 | V | 54.4 | Low | 47.7 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 53% | 0.527 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66 | -49.5 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | S10 L16 G17 D18 | S10-V14 PolarHBondContact O-N 3.4Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.32Å; V14-G17 WeakPolarHBondContact O-CA 3.26Å; V14-G17 PolarHBondContact O-N 3.48Å; V14-D18 PolarHBondContact O-N 2.84Å |
| 15 | L | 49.7 | Very low | 48.2 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.4 | -33.4 | 179.7 | -69.6 | 170.4 | 0 | 0 | 0 | 113.7 | R11 C12 L19 | R11-L15 PolarHBondContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.07Å; L15-L19 PolarHBondContact O-N 3.24Å |
| 16 | L | 53.5 | Low | 48.2 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.5 | -24.5 | 171.8 | -96.6 | 76.7 | 0 | 0 | 0 | 113.3 | C12 V14 R20 | C12-L16 WeakPolarHBondContact O-CD1 3.22Å; C12-L16 PolarHBondContact O-N 3.05Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.32Å; L16-R20 PolarHBondContact O-N 2.87Å |
| 17 | G | 54.4 | Low | 48.2 | Very low | 32 Ų | 32 | 120.6 Ų | 120.6 | 33% | 0.33 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -52.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C13 V14 L19 R20 V21 | C13-G17 PolarHBondContact O-N 2.88Å; C13-G17 VanDerWaalsContact O-N 3.08Å; V14-G17 WeakPolarHBondContact O-CA 3.26Å; V14-G17 PolarHBondContact O-N 3.48Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.17Å; G17-R20 WeakPolarHBondContact O-CB 3.43Å; G17-R20 PolarHBondContact O-N 3.44Å; G17-V21 PolarHBondContact O-N 3.04Å |
| 18 | D | 49.8 | Very low | 48.1 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 51% | 0.508 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.4 | -38.4 | -179 | -62.2 | -34.5 | 0 | 0 | 0 | 112 | V14 R20 V21 L22 | V14-D18 PolarHBondContact O-N 2.84Å; D18-R20 VanDerWaalsContact C-N 3.32Å; D18-R20 PolarHBondContact O-N 2.84Å; D18-V21 PolarHBondContact O-N 3.18Å; D18-L22 PolarHBondContact O-N 3.04Å; D18-L22 VanDerWaalsContact O-N 3.1Å |
| 19 | L | 43.1 | Very low | 48.2 | Very low | 109 Ų | 109 | 118.2 Ų | 118.2 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.7 | -31.3 | 175.5 | -151.2 | 81 | 0 | 0 | 0 | 112.7 | L15 G17 L23 | L15-L19 PolarHBondContact O-N 3.24Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.17Å; L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.61Å |
| 20 | R | 47.7 | Very low | 48.2 | Very low | 189 Ų | 189 | 116.8 Ų | 116.8 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -38 | 173.7 | -93.7 | -176.3 | 165.3 | 178.6 | -3.9 | 112.3 | L16 G17 D18 L22 L23 L24 | L16-R20 PolarHBondContact O-N 2.87Å; G17-R20 WeakPolarHBondContact O-CB 3.43Å; G17-R20 PolarHBondContact O-N 3.44Å; D18-R20 VanDerWaalsContact C-N 3.32Å; D18-R20 PolarHBondContact O-N 2.84Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L23 PolarHBondContact O-N 2.76Å; R20-L24 WeakPolarHBondContact O-CB 3.4Å; R20-L24 PolarHBondContact O-N 2.66Å; R20-L24 VanDerWaalsContact O-N 3.1Å |
| 21 | V | 53.7 | Low | 47.9 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.7 | -37 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | G17 D18 | G17-V21 PolarHBondContact O-N 3.04Å; D18-V21 PolarHBondContact O-N 3.18Å |
| 22 | L | 50.1 | Low | 47.4 | Very low | 146 Ų | 146 | 116.7 Ų | 116.7 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.1 | -26 | 175.1 | -82.8 | 160.3 | 0 | 0 | 0 | 114.6 | D18 R20 | D18-L22 PolarHBondContact O-N 3.04Å; D18-L22 VanDerWaalsContact O-N 3.1Å; R20-L22 VanDerWaalsContact C-N 3.32Å |
| 23 | L | 47.8 | Very low | 47.3 | Very low | 135 Ų | 135 | 121 Ų | 121 | 71% | 0.707 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -97.9 | -13.1 | -177.3 | -72.7 | 171.6 | 0 | 0 | 0 | 114.8 | L19 R20 | L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.61Å; R20-L23 PolarHBondContact O-N 2.76Å |
| 24 | L | 46.8 | Very low | 46.8 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | trans | -128.3 | 40.1 | -175.3 | -72.9 | 162.7 | 0 | 0 | 0 | 112.9 | R20 | R20-L24 WeakPolarHBondContact O-CB 3.4Å; R20-L24 PolarHBondContact O-N 2.66Å; R20-L24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | G | 48.8 | Very low | 46.2 | Very low | 55 Ų | 55 | 124.2 Ų | 124.2 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R27 | G25-R27 PolarHBondContact O-N 3.44Š|
| 26 | P | 42.3 | Very low | 46 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 135.4 | -177.8 | -24.5 | 34.4 | 0 | 0 | 0 | 113.3 | ||
| 27 | R | 39.9 | Very low | 45.1 | Very low | 242 Ų | 242 | 127.2 Ų | 127.2 | 91% | 0.913 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 126.1 | 176.3 | -172.3 | 179.4 | -176 | 123.4 | -2.1 | 110.2 | G25 | G25-R27 PolarHBondContact O-N 3.44Š|
| 28 | A | 41.8 | Very low | 44.5 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 29 | P | 45.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 154.1 | -180 | 30.5 | -35 | 0 | 0 | 0 | 112.2 | ||
| 30 | P | 44.3 | Very low | 43 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.7 | -177.9 | 31 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 31 | T | 40.3 | Very low | 42.1 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 137.4 | 171.3 | -27.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 32 | P | 40 | Very low | 40.9 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 145.7 | 177.7 | -14.1 | 29.3 | 0 | 0 | 0 | 112.8 | ||
| 33 | L | 45.9 | Very low | 39.9 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 140.9 | 167.7 | -71.7 | 165.1 | 0 | 0 | 0 | 110.5 | ||
| 34 | P | 44.1 | Very low | 39.1 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 160.2 | 172.4 | 32.1 | -34 | 0 | 0 | 0 | 112.3 | ||
| 35 | P | 41.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 155.5 | -167.5 | 31.8 | -36.4 | 0 | 0 | 0 | 114.9 | ||
| 36 | L | 45.4 | Very low | 37.4 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 138 | 174 | -69.7 | 165.6 | 0 | 0 | 0 | 112.1 | ||
| 37 | T | 34.3 | Very low | 36.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 157.5 | 160.9 | 18.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | P | 41.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -128.1 | 166.6 | -116.2 | 42.5 | -31.3 | 0 | 0 | 0 | 117.9 | |||||
| 39 | M | 32.1 | Very low | 35.7 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 60.9 | 123.4 | 143.3 | -76.3 | -71.4 | -78.7 | 0 | 0 | 122.6 | ||||
| 40 | S | 29.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 129.3 | 135.8 | -159.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 41 | G | 28.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 164.7 | 113.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 42 | Q | 29.4 | Very low | 33.7 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 158.4 | -174 | -72.4 | 159.5 | -67.1 | 0 | 0 | 118.3 | ||||
| 43 | A | 29.2 | Very low | 33.2 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 64.2 | 122.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 44 | S | 30.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 42.4 | 140.8 | 122.7 | -51.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 45 | E | 29.5 | Very low | 32.2 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 70.9 | 148.7 | 154 | -70.2 | 167.3 | 109.1 | 0 | 0 | 117.3 | ||||
| 46 | S | 29.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | cis | -176 | 151.2 | -12.5 | 53 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 47 | H | 30.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | 63.6 | 155.3 | 163.1 | -77.2 | -126 | 0 | 0 | 0 | 117.8 | ||||
| 48 | E | 29.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -159.3 | 163.8 | -14.5 | -128.2 | -177.3 | 114.7 | 0 | 0 | 111.3 | ||||
| 49 | A | 30 | Very low | 30.9 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | trans | 53.4 | 121.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 50 | S | 28.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | 169.5 | 148.5 | 61.5 | 43.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 51 | V | 30.7 | Very low | 30.9 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | 78.3 | 87.1 | 144.3 | 174.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 52 | T | 28.8 | Very low | 31 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | 77.7 | 143.3 | 119.9 | -20.7 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 53 | V | 29.3 | Very low | 31 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | 67.9 | 129.4 | 163.2 | -123.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 54 | T | 30.5 | Very low | 31 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | cis | -149.9 | 157.7 | 12 | -27.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 55 | V | 37.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -123.2 | 153.3 | 171.7 | -145.5 | 0 | 0 | 0 | 0 | 108.5 | D57 | V55-D57 HydrophobicContact CG1-CB 4.24Š| ||
| 56 | P | 41.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | -139 | 150.2 | 87.4 | 37.1 | -23.4 | 0 | 0 | 0 | 113.8 | |||||
| 57 | D | 27.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | trans | -138.8 | 126.7 | 178.3 | -154.2 | -4.2 | 0 | 0 | 0 | 109.6 | V55 | V55-D57 HydrophobicContact CG1-CB 4.24Š| ||
| 58 | N | 33.7 | Very low | 31.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 56% | 0.556 | 74% | 0.738 | S | S | * | * | trans | 52.5 | 159.2 | 147.7 | 74.3 | 53.8 | 0 | 0 | 0 | 124.5 | ||||
| 59 | N | 33.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | 71.9 | 154.2 | 143.3 | -66.1 | -18 | 0 | 0 | 0 | 119.3 | ||||
| 60 | N | 32.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | cis | -169.9 | 170.4 | -14.2 | -112.5 | -19.1 | 0 | 0 | 0 | 111.9 | ||||
| 61 | T | 29 | Very low | 31.6 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | 78.9 | 118.1 | 136.4 | -74.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 62 | L | 29.7 | Very low | 31.7 | Very low | 141 Ų | 141 | 140 Ų | 140 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 58.7 | 118.3 | 141.1 | -92.1 | 66.1 | 0 | 0 | 0 | 124.1 | ||||
| 63 | T | 30.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 35 | 117.8 | 123 | 64.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 64 | R | 28.4 | Very low | 31.7 | Very low | 250 Ų | 250 | 144.1 Ų | 144.1 | 94% | 0.943 | 74% | 0.742 | S | S | * | * | -158.4 | 158.2 | 116 | -140.1 | 171.2 | -172.4 | 152.9 | 2.2 | 111.7 | |||||
| 65 | S | 32.9 | Very low | 31.6 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -101.6 | 166.9 | -176 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | H | 33.2 | Very low | 31.2 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | 88.4 | 139.8 | 167.7 | -87.1 | -99.7 | 0 | 0 | 0 | 120.7 | ||||
| 67 | Q | 30.7 | Very low | 30.6 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 77.6 | 139.1 | 159.2 | -150.6 | 167.9 | 10 | 0 | 0 | 117.2 | ||||
| 68 | Q | 29.6 | Very low | 30.7 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | cis | 176.4 | 141.8 | -30.8 | 169.3 | 172.8 | 5.2 | 0 | 0 | 107 | ||||
| 69 | Q | 32.1 | Very low | 30.4 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 66.8 | 116.8 | 160.6 | -81.9 | 169 | -2.5 | 0 | 0 | 122.4 | ||||
| 70 | Q | 29.1 | Very low | 30.4 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | -178.3 | 149.5 | 108.5 | -95.9 | 178.8 | 36.8 | 0 | 0 | 106.6 | |||||
| 71 | Q | 32.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -151 | -171.3 | 7.7 | -102.9 | 165 | 23.5 | 0 | 0 | 107.5 | ||||
| 72 | Q | 32 | Very low | 30.5 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | -177.4 | 145.9 | -53.4 | 179.3 | 164.6 | 1.5 | 0 | 0 | 109.3 | |||||
| 73 | Q | 31.4 | Very low | 30.5 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 150.1 | 175 | -67.8 | 153.8 | 32 | 0 | 0 | 116.6 | ||||
| 74 | N | 28.4 | Very low | 30.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | cis | -145.1 | 168.9 | 1.9 | -147.9 | -6.4 | 0 | 0 | 0 | 112.5 | ||||
| 75 | G | 27.4 | Very low | 30.4 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -67.8 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 76 | G | 29.7 | Very low | 30.2 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | cis | 111.7 | 140.1 | 31.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 77 | D | 28.1 | Very low | 30 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | -158.3 | 162.6 | 6.2 | -177.2 | 27 | 0 | 0 | 0 | 110.5 | ||||
| 78 | R | 29.4 | Very low | 29.7 | Very low | 202 Ų | 202 | 126.2 Ų | 126.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 78.5 | 131.1 | 145.3 | -123.5 | -176.4 | -178.1 | 107.7 | -7 | 125.5 | ||||
| 79 | T | 28 | Very low | 29.8 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 97.8 | 139.4 | 139.9 | -6.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 80 | V | 34.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -80 | 150.4 | -176.5 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 81 | P | 37.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -144.4 | -177.4 | 114.8 | 37.6 | -21.8 | 0 | 0 | 0 | 115 | |||||
| 82 | S | 25.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -117.1 | 172.2 | -179 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | A | 29.3 | Very low | 29.6 | Very low | 98 Ų | 98 | 118 Ų | 118 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 68.9 | 152.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 84 | A | 30.1 | Very low | 29.8 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | cis | -145.6 | 176.3 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | G | 27.5 | Very low | 30.3 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | cis | 148.4 | 133.3 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 86 | A | 28.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 122 Ų | 122 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -159.7 | 137 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | A | 28.8 | Very low | 30.3 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -17 | 151.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 88 | G | 26 | Very low | 30.2 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | cis | 171.8 | 158.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 89 | A | 29.8 | Very low | 30.1 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -101 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | P | 43.1 | Very low | 30.4 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | cis | -126.5 | -169.9 | 27.9 | 39.1 | -18.9 | 0 | 0 | 0 | 113 | ||||
| 91 | G | 25.8 | Very low | 30.3 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | cis | -171.6 | -168.9 | 16.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 92 | G | 27.1 | Very low | 30.3 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -133 | -151.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 93 | E | 26.5 | Very low | 30.9 | Very low | 206 Ų | 206 | 119.8 Ų | 119.8 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | trans | 101.1 | 159.5 | 168 | -55.1 | -163.1 | 80.2 | 0 | 0 | 120.2 | ||||
| 94 | R | 35.8 | Very low | 31.3 | Very low | 227 Ų | 227 | 123.4 Ų | 123.4 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -89.6 | 169.7 | -168.9 | -60.2 | 161 | 97.2 | 170.7 | 5.9 | 112.3 | ||||
| 95 | P | 38.8 | Very low | 31.4 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | -134.6 | 160.1 | 104.5 | 17.4 | 4.3 | 0 | 0 | 0 | 111.9 | |||||
| 96 | V | 30 | Very low | 31.8 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | cis | 73.6 | 134.8 | 44.5 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 97 | G | 27.2 | Very low | 32.2 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -134 | -171.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 98 | G | 25.3 | Very low | 32.6 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -158.9 | 134.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 99 | W | 28.1 | Very low | 33.2 | Very low | 261 Ų | 261 | 126.9 Ų | 126.9 | 99% | 0.989 | 79% | 0.787 | S | S | * | * | 58.6 | 106.6 | 76.4 | -71.5 | 58.6 | 0 | 0 | 0 | 112.9 | |||||
| 100 | V | 33.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 148.7 | 165.8 | -77.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 101 | D | 32.9 | Very low | 33.3 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -80.9 | 150.5 | -147.1 | -77.1 | -67.5 | 0 | 0 | 0 | 118.4 | A103 | D101-A103 PolarHBondContact O-N 2.97Š| ||
| 102 | A | 36.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 20 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 103 | A | 39.2 | Very low | 33.7 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | -39.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D101 L105 S106 | D101-A103 PolarHBondContact O-N 2.97Å; A103-L105 PolarHBondContact O-N 3.32Å; A103-S106 PolarHBondContact O-N 3.23Å; A103-S106 PolarHBondContact O-OG 3.29Å |
| 104 | E | 36.2 | Very low | 34 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -73 | -23.1 | -172.7 | -80.9 | -173.1 | 95.2 | 0 | 0 | 114.5 | S106 A107 | E104-S106 PolarHBondContact O-N 2.86Å; E104-A107 PolarHBondContact O-N 2.88Å |
| 105 | L | 32 | Very low | 33.8 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -68.1 | -15.8 | 176.9 | -158.6 | 67.4 | 0 | 0 | 0 | 113 | A103 | A103-L105 PolarHBondContact O-N 3.32Š|
| 106 | S | 37.4 | Very low | 33.6 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | G | 310 helix | trans | -80.8 | -10.6 | 178.4 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | A103 E104 | A103-S106 PolarHBondContact O-N 3.23Å; A103-S106 PolarHBondContact O-OG 3.29Å; E104-S106 PolarHBondContact O-N 2.86Å |
| 107 | A | 36.3 | Very low | 33.9 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -26.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E104 L109 | E104-A107 PolarHBondContact O-N 2.88Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.17Å |
| 108 | A | 37 | Very low | 34.1 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -11.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 109 | L | 38.3 | Very low | 34.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 16.5 | -176.2 | -77 | 171 | 0 | 0 | 0 | 114.5 | A107 | A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.17Å |
| 110 | R | 42.2 | Very low | 34.8 | Very low | 224 Ų | 224 | 123.8 Ų | 123.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -116.1 | 30.8 | -173.9 | -141.9 | -177.8 | -61.6 | -132.5 | 3.2 | 114.9 | ||||
| 111 | G | 32.9 | Very low | 34.8 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -123.9 | 133.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 112 | C | 28.7 | Very low | 34.9 | Very low | 137 Ų | 137 | 124 Ų | 124 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | 68.3 | 82 | 168.5 | -59.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 113 | S | 32.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -108.8 | 113.9 | 149.6 | -72.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 114 | S | 33.8 | Very low | 34.8 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -178.7 | 109 | 151.6 | -85.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | S | 30.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | 163.8 | 125.3 | 118.9 | -170 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 116 | S | 35.5 | Very low | 35.4 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 62.1 | 132.3 | 147.7 | 52.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 117 | D | 35.8 | Very low | 35.8 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -62.4 | 161.7 | 171.3 | -43.5 | -92.4 | 0 | 0 | 0 | 112.5 | ||||
| 118 | D | 32 | Very low | 36.2 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | -176 | 167 | 61.4 | -156.6 | -28.9 | 0 | 0 | 0 | 112 | |||||
| 119 | C | 33.2 | Very low | 36.7 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | 91 | 122.1 | 146.7 | -151.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 120 | S | 34.2 | Very low | 37.5 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 81.9 | 71.4 | 151.6 | -68.2 | 0 | 0 | 0 | 0 | 121.4 | G122 | S120-G122 PolarHBondContact O-N 3.01Š| ||
| 121 | K | 34.8 | Very low | 38 | Very low | 222 Ų | 222 | 132.9 Ų | 132.9 | 97% | 0.965 | 75% | 0.751 | S | S | * | * | trans | -45.3 | 116 | 144.3 | -179.7 | -179.2 | -175.2 | 177.1 | 0 | 112.3 | ||||
| 122 | G | 33.7 | Very low | 39.1 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -171.1 | 11.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | S120 | S120-G122 PolarHBondContact O-N 3.01Š| ||
| 123 | K | 34.9 | Very low | 40.1 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -129.8 | 73.1 | -176.7 | -166.5 | 178.3 | -176.5 | 178.5 | 0 | 111.6 | ||||
| 124 | L | 38.7 | Very low | 40.9 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | trans | -137 | 14.8 | 180 | -153.6 | 101.8 | 0 | 0 | 0 | 115.3 | ||||
| 125 | E | 38.3 | Very low | 41.6 | Very low | 202 Ų | 202 | 136 Ų | 136 | 94% | 0.944 | 71% | 0.709 | S | S | * | * | trans | -119.8 | 53.1 | 172.5 | -67.6 | -149.2 | 122.9 | 0 | 0 | 112.4 | ||||
| 126 | E | 42.3 | Very low | 42.4 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | trans | -128.3 | 42.5 | 166 | -152.6 | -177 | 172 | 0 | 0 | 110.7 | F128 | E126-F128 PolarHBondContact O-N 3.44Š| ||
| 127 | R | 46.3 | Very low | 43.3 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | -96.4 | 35.4 | -174 | -153.6 | -171.7 | 175.3 | 147.9 | 0.9 | 114.4 | ||||
| 128 | F | 45.4 | Very low | 44.1 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 97% | 0.965 | 70% | 0.696 | S | S | * | * | trans | -146.5 | 53.8 | 166 | -85.1 | -72.3 | 0 | 0 | 0 | 111.6 | E126 | E126-F128 PolarHBondContact O-N 3.44Š| ||
| 129 | S | 46.5 | Very low | 45.8 | Very low | 41 Ų | 41 | 133.3 Ų | 133.3 | 29% | 0.287 | 68% | 0.683 | S | S | . | * | trans | -114.4 | 121.4 | 169.2 | -94.6 | 0 | 0 | 0 | 0 | 110.5 | T131 S164 | S129-T131 PolarHBondContact O-N 2.84Å; S129-T131 PolarHBondContact O-OG1 2.68Å; S129-S164 PolarHBondContact OG-OG 3.33Å | ||
| 130 | L | 54.6 | Low | 47.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | trans | -53.5 | 111.2 | 166.8 | -72.7 | 137.5 | 0 | 0 | 0 | 108.6 | V142 F147 | L130-V142 HydrophobicContact CB-CG2 3.98Å; L130-V142 WeakPolarHBondContact O-CG2 3.17Å; L130-F147 HydrophobicContact CB-CD1 4.39Å; L130-F147 HydrophobicContact CD1-CD1 3.47Å; L130-F147 VanDerWaalsContact CD1-CD1 3.47Å; L130-F147 HydrophobicContact CD1-CE1 3.29Å; L130-F147 HydrophobicContact CD1-CG 4.46Å; L130-F147 HydrophobicContact CD1-CZ 4.18Å; L130-F147 HydrophobicContact CD2-CB 4.1Å; L130-F147 HydrophobicContact CD2-CD1 3.54Å; L130-F147 HydrophobicContact CD2-CD2 4.3Å; L130-F147 HydrophobicContact CD2-CE1 3.98Å; L130-F147 HydrophobicContact CD2-CG 3.71Å; L130-F147 HydrophobicContact CG-CD1 3.96Å; L130-F147 HydrophobicContact CG-CE1 4.21Å | ||
| 131 | T | 53.9 | Low | 50.2 | Low | 37 Ų | 37 | 128 Ų | 128 | 23% | 0.227 | 64% | 0.644 | C | S | . | * | trans | -143.6 | 119.8 | -179.7 | -30.3 | 0 | 0 | 0 | 0 | 108.1 | S129 R139 | S129-T131 PolarHBondContact O-N 2.84Å; S129-T131 PolarHBondContact O-OG1 2.68Å; T131-R139 HydrophobicContact CG2-CB 3.93Å; T131-R139 HydrophobicContact CG2-CG 4.34Å | ||
| 132 | S | 54.7 | Low | 52.9 | Low | 43 Ų | 43 | 117.7 Ų | 117.7 | 30% | 0.301 | 60% | 0.6 | S | S | . | * | trans | -67.9 | 135.2 | 168.3 | 43.8 | 0 | 0 | 0 | 0 | 109.3 | T140 V142 | S132-T140 PolarHBondContact OG-OG1 3.29Å; S132-V142 VanDerWaalsContact OG-CG1 3.28Å; S132-V142 WeakPolarHBondContact OG-CG1 3.13Å | ||
| 133 | Y | 50.5 | Low | 55.7 | Low | 199 Ų | 199 | 114 Ų | 114 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | B | Isolated β-bridge | trans | -90.6 | 107.3 | 173.3 | -33 | -93.1 | 0 | 0 | 0 | 107 | ||
| 134 | T | 48.9 | Very low | 58.5 | Low | 59 Ų | 59 | 106.9 Ų | 106.9 | 36% | 0.362 | 53% | 0.53 | S | S | . | . | trans | -85.4 | 148 | 162.7 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | S136 G137 | T134-S136 PolarHBondContact O-N 3.39Å; T134-S136 PolarHBondContact OG1-OG 2.92Å; T134-G137 PolarHBondContact O-N 2.79Å | ||
| 135 | E | 48.3 | Very low | 61 | Low | 214 Ų | 214 | 101.3 Ų | 101.3 | 100% | 1 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.6 | 179.8 | -101.7 | 178.6 | 117.1 | 0 | 0 | 114.1 | G137 | E135-G137 PolarHBondContact O-N 3.17Š|
| 136 | S | 47.8 | Very low | 63.6 | Low | 94 Ų | 94 | 93 Ų | 93 | 66% | 0.657 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 15.9 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 115.7 | T134 F138 | T134-S136 PolarHBondContact O-N 3.39Å; T134-S136 PolarHBondContact OG1-OG 2.92Å; S136-F138 PolarHBondContact O-N 3.17Å |
| 137 | G | 53.5 | Low | 66 | Low | 69 Ų | 69 | 92 Ų | 92 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | trans | 67.4 | -9.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | T134 E135 | T134-G137 PolarHBondContact O-N 2.79Å; E135-G137 PolarHBondContact O-N 3.17Å | ||
| 138 | F | 54.1 | Low | 68 | Low | 152 Ų | 152 | 85 Ų | 85 | 67% | 0.667 | 44% | 0.435 | S | S | * | . | trans | -85.1 | 133.1 | -179.5 | -165.2 | -95 | 0 | 0 | 0 | 111.5 | S136 T140 | S136-F138 PolarHBondContact O-N 3.17Å; F138-T140 HydrophobicContact CD1-CG2 4.46Å; F138-T140 PolarHBondContact O-N 3.17Å | ||
| 139 | R | 66.8 | Low | 70 | Confident | 153 Ų | 153 | 74.6 Ų | 74.6 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -80.3 | 96.6 | -178.6 | -63 | -72.3 | 172.5 | 179.3 | 0.3 | 109.6 | T131 | T131-R139 HydrophobicContact CG2-CB 3.93Å; T131-R139 HydrophobicContact CG2-CG 4.34Å |
| 140 | T | 76.9 | Confident | 71.8 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | trans | -74.9 | 141 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | S132 F138 V142 | S132-T140 PolarHBondContact OG-OG1 3.29Å; F138-T140 HydrophobicContact CD1-CG2 4.46Å; F138-T140 PolarHBondContact O-N 3.17Å; T140-V142 PolarHBondContact O-N 2.78Å | ||
| 141 | P | 83.5 | Confident | 73 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | trans | -71.7 | 129.5 | 175.5 | 28.9 | -33.2 | 0 | 0 | 0 | 110.4 | ||||
| 142 | V | 91.3 | Very high | 74.1 | Confident | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.03 | 42% | 0.42 | C | S | . | . | trans | -107.8 | 159.2 | 175.3 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L130 S132 T140 Q148 C167 | L130-V142 HydrophobicContact CB-CG2 3.98Å; L130-V142 WeakPolarHBondContact O-CG2 3.17Å; S132-V142 VanDerWaalsContact OG-CG1 3.28Å; S132-V142 WeakPolarHBondContact OG-CG1 3.13Å; T140-V142 PolarHBondContact O-N 2.78Å; V142-Q148 CarbonylContact C-O 3.59Å; V142-Q148 WeakPolarHBondContact CA-O 3.46Å; V142-Q148 WeakPolarHBondContact CB-O 3.32Å; V142-C167 WeakPolarHBondContact O-CB 3.19Å | ||
| 143 | C | 93.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -73.3 | 127.6 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I145 C146 F147 Q148 L155 C167 H169 | C143-I145 PolarHBondContact O-N 2.81Å; C143-C146 VanDerWaalsContact CB-SG 3.56Å; C143-F147 WeakPolarHBondContact O-CA 3.38Å; C143-F147 PolarHBondContact O-N 3.11Å; C143-Q148 PolarHBondContact N-O 3.04Å; C143-L155 HydrophobicContact CB-CD2 4.15Å; C143-C167 WeakPolarHBondContact CA-O 3.17Å; C143-H169 VanDerWaalsContact CB-CE1 3.41Å; C143-H169 WeakPolarHBondContact CB-CE1 3.35Å; C143-H169 VanDerWaalsContact CB-ND1 3.27Å; C143-H169 WeakPolarHBondContact CB-ND1 3.34Å; C143-H169 PolarHBondContact SG-N 3.5Å; C143-H169 PolarHBondContact SG-ND1 2.98Å | ||
| 144 | R | 92.5 | Very high | 77.1 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 15% | 0.151 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.6 | 179.7 | 84 | -171 | -165.1 | 126.9 | 18.9 | 114.9 | F147 V165 C167 T168 E186 | R144-F147 WeakPolarHBondContact O-CE1 3.31Å; R144-V165 WeakPolarHBondContact CD-O 3.34Å; R144-C167 PolarHBondContact N-O 3.25Å; R144-T168 HydrophobicContact CG-CG2 3.66Å; R144-E186 IonicContact CZ-OE1 3.78Å; R144-E186 IonicContact NH1-OE1 3.42Å; R144-E186 IonicContact NH2-OE1 3.53Å; R144-E186 PolarHBondContact NH2-OE1 2.9Å |
| 145 | I | 92.8 | Very high | 79.2 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -47.4 | -173.4 | -62.1 | 166 | 0 | 0 | 0 | 110.9 | C143 T168 C172 W176 | C143-I145 PolarHBondContact O-N 2.81Å; I145-T168 HydrophobicContact CD1-CG2 3.66Å; I145-T168 HydrophobicContact CG1-CG2 4.08Å; I145-C172 HydrophobicContact CB-CB 4.12Å; I145-C172 HydrophobicContact CD1-CB 3.92Å; I145-C172 HydrophobicContact CG2-CB 4.16Å; I145-W176 HydrophobicContact CD1-CB 3.98Å; I145-W176 HydrophobicContact CD1-CG 4.29Å |
| 146 | C | 92.7 | Very high | 81.3 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -10.1 | -176.3 | 66.7 | 0 | 0 | 0 | 0 | 114 | C143 Q148 H169 | C143-C146 VanDerWaalsContact CB-SG 3.56Å; C146-Q148 VanDerWaalsContact O-CD 3.32Å; C146-Q148 PolarHBondContact O-N 2.89Å; C146-Q148 PolarHBondContact O-NE2 3.48Å; C146-Q148 PolarHBondContact SG-OE1 2.81Å; C146-H169 PolarHBondContact SG-ND1 3.36Å; C146-H169 VanDerWaalsContact SG-ND1 3.38Å |
| 147 | F | 91.1 | Very high | 83.4 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | trans | 65.2 | 11.2 | 178 | -41.9 | -54.3 | 0 | 0 | 0 | 116 | L130 C143 R144 | L130-F147 HydrophobicContact CB-CD1 4.39Å; L130-F147 HydrophobicContact CD1-CD1 3.47Å; L130-F147 VanDerWaalsContact CD1-CD1 3.47Å; L130-F147 HydrophobicContact CD1-CE1 3.29Å; L130-F147 HydrophobicContact CD1-CG 4.46Å; L130-F147 HydrophobicContact CD1-CZ 4.18Å; L130-F147 HydrophobicContact CD2-CB 4.1Å; L130-F147 HydrophobicContact CD2-CD1 3.54Å; L130-F147 HydrophobicContact CD2-CD2 4.3Å; L130-F147 HydrophobicContact CD2-CE1 3.98Å; L130-F147 HydrophobicContact CD2-CG 3.71Å; L130-F147 HydrophobicContact CG-CD1 3.96Å; L130-F147 HydrophobicContact CG-CE1 4.21Å; C143-F147 WeakPolarHBondContact O-CA 3.38Å; C143-F147 PolarHBondContact O-N 3.11Å; R144-F147 WeakPolarHBondContact O-CE1 3.31Å | ||
| 148 | Q | 89.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 61.2 Ų | 61.2 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | trans | -84.4 | 160.2 | 167.5 | -68.5 | 97.6 | 40.8 | 0 | 0 | 112.6 | V142 C143 C146 H152 | V142-Q148 CarbonylContact C-O 3.59Å; V142-Q148 WeakPolarHBondContact CA-O 3.46Å; V142-Q148 WeakPolarHBondContact CB-O 3.32Å; C143-Q148 PolarHBondContact N-O 3.04Å; C146-Q148 VanDerWaalsContact O-CD 3.32Å; C146-Q148 PolarHBondContact O-N 2.89Å; C146-Q148 PolarHBondContact O-NE2 3.48Å; C146-Q148 PolarHBondContact SG-OE1 2.81Å; Q148-H152 HydrophobicContact CB-CB 4.14Å | ||
| 149 | G | 87.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -87.6 | -162.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E151 H169 | G149-E151 WeakPolarHBondContact CA-OE1 3.44Å; G149-E151 WeakPolarHBondContact CA-OE2 3.15Å; G149-E151 PolarHBondContact N-OE1 3.17Å; G149-E151 PolarHBondContact O-N 3.25Å; G149-H169 PolarHBondContact O-CE1 3.4Å; G149-H169 PolarHBondContact O-NE2 3.31Å | ||
| 150 | P | 83.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -68.8 | -15.8 | -178.2 | 27.3 | -34.4 | 0 | 0 | 0 | 114.2 | H152 G153 L155 | P150-H152 PolarHBondContact O-N 2.83Å; P150-G153 CarbonylContact C-O 3.57Å; P150-G153 WeakPolarHBondContact CA-O 3.42Å; P150-G153 CarbonylContact O-C 3.59Å; P150-G153 PolarHBondContact O-N 3.18Å; P150-G153 VanDerWaalsContact O-O 3.05Å; P150-L155 HydrophobicContact CB-CD1 3.59Å; P150-L155 HydrophobicContact CG-CD1 4.35Å |
| 151 | E | 80.9 | Confident | 89.2 | Confident | 130 Ų | 130 | 51.7 Ų | 51.7 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.6 | -19.7 | 178.5 | 69.9 | -60.3 | 140.6 | 0 | 0 | 113.7 | G149 | G149-E151 WeakPolarHBondContact CA-OE1 3.44Å; G149-E151 WeakPolarHBondContact CA-OE2 3.15Å; G149-E151 PolarHBondContact N-OE1 3.17Å; G149-E151 PolarHBondContact O-N 3.25Å |
| 152 | H | 77.1 | Confident | 89.4 | Confident | 124 Ų | 124 | 53 Ų | 53 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -94.6 | 0.9 | 174 | -70.4 | 81.7 | 0 | 0 | 0 | 114 | Q148 P150 | Q148-H152 HydrophobicContact CB-CB 4.14Å; P150-H152 PolarHBondContact O-N 2.83Å |
| 153 | G | 81.9 | Confident | 89.2 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 144 | 166.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P150 L155 H169 | P150-G153 CarbonylContact C-O 3.57Å; P150-G153 WeakPolarHBondContact CA-O 3.42Å; P150-G153 CarbonylContact O-C 3.59Å; P150-G153 PolarHBondContact O-N 3.18Å; P150-G153 VanDerWaalsContact O-O 3.05Å; G153-L155 PolarHBondContact O-N 3.43Å; G153-H169 PolarHBondContact O-CD2 3.16Å; G153-H169 PolarHBondContact O-NE2 3.46Å |
| 154 | E | 86.4 | Confident | 88.7 | Confident | 144 Ų | 144 | 56.5 Ų | 56.5 | 67% | 0.673 | 31% | 0.306 | S | S | * | . | trans | -60.9 | 128.1 | 176.3 | -170 | -177.9 | 176.6 | 0 | 0 | 111 | ||||
| 155 | L | 91.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.6 | 170.9 | -66.9 | 103.4 | 0 | 0 | 0 | 110.2 | C143 P150 G153 C167 | C143-L155 HydrophobicContact CB-CD2 4.15Å; P150-L155 HydrophobicContact CB-CD1 3.59Å; P150-L155 HydrophobicContact CG-CD1 4.35Å; G153-L155 PolarHBondContact O-N 3.43Å; L155-C167 HydrophobicContact CD2-CB 3.78Å |
| 156 | L | 92.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.7 | 176.1 | 42.4 | 76.7 | 0 | 0 | 0 | 110.8 | P158 T168 Q170 V294 N296 | L156-P158 HydrophobicContact CD1-CB 4.31Å; L156-P158 HydrophobicContact CD1-CG 4.43Å; L156-P158 VanDerWaalsContact O-CD 3.28Å; L156-P158 WeakPolarHBondContact O-CD 3.46Å; L156-T168 VanDerWaalsContact CD1-O 3.31Å; L156-T168 WeakPolarHBondContact CD1-O 3.47Å; L156-T168 WeakPolarHBondContact CG-O 3.47Å; L156-T168 PolarHBondContact N-O 3.38Å; L156-T168 PolarHBondContact O-N 3.07Å; L156-T168 PolarHBondContact O-OG1 3.42Å; L156-Q170 HydrophobicContact CD2-CB 3.84Å; L156-Q170 HydrophobicContact CD2-CG 4.21Å; L156-V294 HydrophobicContact CD1-CB 4.25Å; L156-V294 HydrophobicContact CD1-CG1 3.95Å; L156-V294 HydrophobicContact CD2-CB 3.97Å; L156-V294 HydrophobicContact CD2-CG1 4.4Å; L156-N296 VanDerWaalsContact CA-OD1 3.25Å; L156-N296 WeakPolarHBondContact CA-OD1 3.23Å; L156-N296 VanDerWaalsContact CB-OD1 3.25Å; L156-N296 WeakPolarHBondContact CB-OD1 3.23Å |
| 157 | S | 92.9 | Very high | 88.4 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | trans | -108.1 | 83.6 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 109 | C159 R166 N296 Y297 | S157-C159 PolarHBondContact O-N 3.46Å; S157-R166 WeakPolarHBondContact CA-O 3.37Å; S157-N296 PolarHBondContact N-OD1 3.18Å; S157-Y297 WeakPolarHBondContact O-CB 3.35Å; S157-Y297 PolarHBondContact O-N 3.42Å | ||
| 158 | P | 93.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -82.9 | 3.6 | -167.3 | 37.9 | -42 | 0 | 0 | 0 | 113.6 | L156 R166 T168 L173 Y192 V294 | L156-P158 HydrophobicContact CD1-CB 4.31Å; L156-P158 HydrophobicContact CD1-CG 4.43Å; L156-P158 VanDerWaalsContact O-CD 3.28Å; L156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-R166 WeakPolarHBondContact CD-O 3.45Å; P158-T168 VanDerWaalsContact CD-OG1 3.3Å; P158-T168 WeakPolarHBondContact CD-OG1 3.37Å; P158-T168 WeakPolarHBondContact CG-OG1 3.46Å; P158-L173 HydrophobicContact CB-CD2 3.55Å; P158-L173 HydrophobicContact CG-CD1 4.17Å; P158-L173 HydrophobicContact CG-CD2 3.65Å; P158-Y192 HydrophobicContact CB-CD1 3.86Å; P158-Y192 HydrophobicContact CB-CE1 4.22Å; P158-Y192 HydrophobicContact CG-CD1 4.07Å; P158-Y192 HydrophobicContact CG-CE1 3.9Å; P158-V294 HydrophobicContact CB-CG1 3.67Å | ||
| 159 | C | 94 | Very high | 88.7 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -157.1 | 175.4 | -172.9 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | S157 C161 C185 Y190 Y192 | S157-C159 PolarHBondContact O-N 3.46Å; C159-C161 PolarHBondContact O-N 3.18Å; C159-C185 HydrophobicContact CB-CB 3.97Å; C159-Y190 HydrophobicContact CB-CD1 4.06Å; C159-Y192 HydrophobicContact CB-CD1 4.36Å; C159-Y192 HydrophobicContact CB-CE1 3.98Å |
| 160 | R | 92.6 | Very high | 88.9 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -74.1 | 2.6 | -174.1 | -60.4 | 176 | -177.2 | -142.4 | 16.4 | 116.2 | C188 Y190 Y297 D302 | R160-C188 HydrophobicContact CB-CB 4.26Å; R160-Y190 HydrophobicContact CG-CD2 4.1Å; R160-Y190 HydrophobicContact CG-CG 4.04Å; R160-Y297 HydrophobicContact CB-CE1 4.42Å; R160-Y297 HydrophobicContact CG-CD1 4.24Å; R160-Y297 HydrophobicContact CG-CD2 4.24Å; R160-Y297 HydrophobicContact CG-CE1 3.8Å; R160-Y297 HydrophobicContact CG-CE2 3.79Å; R160-Y297 HydrophobicContact CG-CG 4.45Å; R160-D302 IonicContact CZ-OD1 3.7Å; R160-D302 IonicContact CZ-OD2 3.09Å; R160-D302 IonicContact NE-OD1 3.81Å; R160-D302 IonicContact NH1-OD1 3.84Å; R160-D302 IonicContact NH1-OD2 3.66Å; R160-D302 PolarHBondContact NH1-OD2 3.43Å; R160-D302 IonicContact NH2-OD1 2.78Å; R160-D302 PolarHBondContact NH2-OD1 3.42Å; R160-D302 IonicContact NH2-OD2 2.61Å; R160-D302 PolarHBondContact NH2-OD2 3.27Å |
| 161 | C | 92.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 12% | 0.122 | 30% | 0.302 | C | S | . | . | trans | -65.5 | 152.4 | -177.9 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | C159 V165 R166 | C159-C161 PolarHBondContact O-N 3.18Å; C161-V165 HydrophobicContact CB-CG2 4.11Å; C161-R166 HydrophobicContact CB-CB 4.07Å; C161-R166 WeakPolarHBondContact O-CB 3.41Å | ||
| 162 | S | 88.6 | Confident | 89.9 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | trans | -102 | 171.9 | 175.2 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | V165 | S162-V165 WeakPolarHBondContact O-CG2 2.96Š| ||
| 163 | G | 86.4 | Confident | 90.7 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 64.1 | -149.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R166 | G163-R166 WeakPolarHBondContact O-CG 3.35Š|
| 164 | S | 83.5 | Confident | 91.1 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -68.5 | -35.1 | -179.9 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | S129 R166 C167 | S129-S164 PolarHBondContact OG-OG 3.33Å; S164-R166 PolarHBondContact O-N 2.73Å; S164-C167 PolarHBondContact O-N 2.75Å; S164-C167 VanDerWaalsContact O-N 3.11Å |
| 165 | V | 87.6 | Confident | 91.4 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -68.6 | -3.3 | -175.9 | -63.5 | 0 | 0 | 0 | 0 | 115.1 | R144 C161 S162 L187 | R144-V165 WeakPolarHBondContact CD-O 3.34Å; C161-V165 HydrophobicContact CB-CG2 4.11Å; S162-V165 WeakPolarHBondContact O-CG2 2.96Å; V165-L187 HydrophobicContact CB-CD1 4.39Å; V165-L187 HydrophobicContact CG2-CD1 4.44Å |
| 166 | R | 91.1 | Very high | 91.5 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 46% | 0.457 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -84.3 | -24.3 | 171.9 | 81.1 | -169.9 | 169.5 | 158.2 | -0.1 | 113.3 | S157 P158 C161 G163 S164 | S157-R166 WeakPolarHBondContact CA-O 3.37Å; P158-R166 WeakPolarHBondContact CD-O 3.45Å; C161-R166 HydrophobicContact CB-CB 4.07Å; C161-R166 WeakPolarHBondContact O-CB 3.41Å; G163-R166 WeakPolarHBondContact O-CG 3.35Å; S164-R166 PolarHBondContact O-N 2.73Å |
| 167 | C | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 8% | 0.081 | 25% | 0.251 | C | S | . | . | trans | -85.2 | 127.4 | -169.7 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | V142 C143 R144 L155 S164 | V142-C167 WeakPolarHBondContact O-CB 3.19Å; C143-C167 WeakPolarHBondContact CA-O 3.17Å; R144-C167 PolarHBondContact N-O 3.25Å; L155-C167 HydrophobicContact CD2-CB 3.78Å; S164-C167 PolarHBondContact O-N 2.75Å; S164-C167 VanDerWaalsContact O-N 3.11Å | ||
| 168 | T | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 144.8 | 177.8 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | R144 I145 L156 P158 L173 | R144-T168 HydrophobicContact CG-CG2 3.66Å; I145-T168 HydrophobicContact CD1-CG2 3.66Å; I145-T168 HydrophobicContact CG1-CG2 4.08Å; L156-T168 VanDerWaalsContact CD1-O 3.31Å; L156-T168 WeakPolarHBondContact CD1-O 3.47Å; L156-T168 WeakPolarHBondContact CG-O 3.47Å; L156-T168 PolarHBondContact N-O 3.38Å; L156-T168 PolarHBondContact O-N 3.07Å; L156-T168 PolarHBondContact O-OG1 3.42Å; P158-T168 VanDerWaalsContact CD-OG1 3.3Å; P158-T168 WeakPolarHBondContact CD-OG1 3.37Å; P158-T168 WeakPolarHBondContact CG-OG1 3.46Å; T168-L173 HydrophobicContact CG2-CD1 4.35Å |
| 169 | H | 94.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 147 | 164.5 | -55.3 | 118.7 | 0 | 0 | 0 | 110.9 | C143 C146 G149 G153 P171 C172 L173 | C143-H169 VanDerWaalsContact CB-CE1 3.41Å; C143-H169 WeakPolarHBondContact CB-CE1 3.35Å; C143-H169 VanDerWaalsContact CB-ND1 3.27Å; C143-H169 WeakPolarHBondContact CB-ND1 3.34Å; C143-H169 PolarHBondContact SG-N 3.5Å; C143-H169 PolarHBondContact SG-ND1 2.98Å; C146-H169 PolarHBondContact SG-ND1 3.36Å; C146-H169 VanDerWaalsContact SG-ND1 3.38Å; G149-H169 PolarHBondContact O-CE1 3.4Å; G149-H169 PolarHBondContact O-NE2 3.31Å; G153-H169 PolarHBondContact O-CD2 3.16Å; G153-H169 PolarHBondContact O-NE2 3.46Å; H169-P171 HydrophobicContact CB-CG 4.22Å; H169-C172 HydrophobicContact CB-CB 4.17Å; H169-C172 PolarHBondContact O-N 3.3Å; H169-L173 PolarHBondContact O-N 3.3Å |
| 170 | Q | 91.8 | Very high | 91.4 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50.8 | -52.8 | 173.9 | -166.3 | 174.3 | -56.1 | 0 | 0 | 114 | L156 C172 L173 I174 W292 V294 | L156-Q170 HydrophobicContact CD2-CB 3.84Å; L156-Q170 HydrophobicContact CD2-CG 4.21Å; Q170-C172 PolarHBondContact O-N 3.09Å; Q170-L173 PolarHBondContact O-N 3.48Å; Q170-I174 WeakPolarHBondContact O-CG1 3.39Å; Q170-I174 PolarHBondContact O-N 2.93Å; Q170-I174 VanDerWaalsContact O-N 3.12Å; Q170-W292 PolarHBondContact NE2-O 2.72Å; Q170-V294 HydrophobicContact CG-CB 4.35Å; Q170-V294 HydrophobicContact CG-CG2 3.97Å |
| 171 | P | 91.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 60 Ų | 60 | 57% | 0.571 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 179.2 | 24.2 | -35.5 | 0 | 0 | 0 | 113 | H169 L173 I174 K175 | H169-P171 HydrophobicContact CB-CG 4.22Å; P171-L173 PolarHBondContact O-N 2.94Å; P171-I174 PolarHBondContact O-N 3.25Å; P171-K175 WeakPolarHBondContact O-CB 3.29Å; P171-K175 PolarHBondContact O-N 3.22Å |
| 172 | C | 93.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | I145 H169 Q170 K175 W176 | I145-C172 HydrophobicContact CB-CB 4.12Å; I145-C172 HydrophobicContact CD1-CB 3.92Å; I145-C172 HydrophobicContact CG2-CB 4.16Å; H169-C172 HydrophobicContact CB-CB 4.17Å; H169-C172 PolarHBondContact O-N 3.3Å; Q170-C172 PolarHBondContact O-N 3.09Å; C172-K175 PolarHBondContact O-N 3.43Å; C172-W176 WeakPolarHBondContact O-CB 3.29Å; C172-W176 PolarHBondContact O-N 3.46Å |
| 173 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 177.9 | -171.5 | 75.3 | 0 | 0 | 0 | 112.1 | P158 T168 H169 Q170 P171 K175 W176 I177 Y192 V294 | P158-L173 HydrophobicContact CB-CD2 3.55Å; P158-L173 HydrophobicContact CG-CD1 4.17Å; P158-L173 HydrophobicContact CG-CD2 3.65Å; T168-L173 HydrophobicContact CG2-CD1 4.35Å; H169-L173 PolarHBondContact O-N 3.3Å; Q170-L173 PolarHBondContact O-N 3.48Å; P171-L173 PolarHBondContact O-N 2.94Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 3.5Å; L173-W176 WeakPolarHBondContact O-CB 3.48Å; L173-W176 PolarHBondContact O-N 3.23Å; L173-I177 HydrophobicContact CD2-CD1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.96Å; L173-I177 HydrophobicContact CG-CG1 4.43Å; L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.91Å; L173-Y192 HydrophobicContact CD1-CD1 4.45Å; L173-Y192 HydrophobicContact CD1-CE1 3.93Å; L173-Y192 HydrophobicContact CD1-CE2 4.13Å; L173-Y192 HydrophobicContact CD2-CD1 4.16Å; L173-Y192 HydrophobicContact CD2-CE1 4.41Å; L173-Y192 HydrophobicContact CD2-CG 4.34Å; L173-V294 HydrophobicContact CD2-CB 4.36Å; L173-V294 HydrophobicContact CD2-CG1 3.55Å; L173-V294 HydrophobicContact CD2-CG2 3.93Å |
| 174 | I | 91.3 | Very high | 92 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.8 | -65.4 | -64.2 | 0 | 0 | 0 | 110.8 | Q170 P171 I177 S178 V194 W292 V294 | Q170-I174 WeakPolarHBondContact O-CG1 3.39Å; Q170-I174 PolarHBondContact O-N 2.93Å; Q170-I174 VanDerWaalsContact O-N 3.12Å; P171-I174 PolarHBondContact O-N 3.25Å; I174-I177 PolarHBondContact O-N 3.49Å; I174-S178 WeakPolarHBondContact O-CB 3.32Å; I174-S178 PolarHBondContact O-N 2.89Å; I174-V194 HydrophobicContact CD1-CG1 3.77Å; I174-V194 HydrophobicContact CD1-CG2 4.33Å; I174-W292 HydrophobicContact CD1-CB 4.3Å; I174-V294 HydrophobicContact CD1-CG2 3.74Å; I174-V294 HydrophobicContact CG1-CG2 4.06Å |
| 175 | K | 92 | Very high | 92.5 | Very high | 132 Ų | 132 | 61 Ų | 61 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 173 | -178.6 | 170.5 | 175.9 | 173.7 | 0 | 111.6 | P171 C172 L173 I177 S178 E179 | P171-K175 WeakPolarHBondContact O-CB 3.29Å; P171-K175 PolarHBondContact O-N 3.22Å; C172-K175 PolarHBondContact O-N 3.43Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 3.5Å; K175-I177 PolarHBondContact O-N 3.45Å; K175-S178 WeakPolarHBondContact O-CB 3.18Å; K175-S178 PolarHBondContact O-N 3.32Å; K175-S178 VanDerWaalsContact O-N 3.14Å; K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 HydrophobicContact CG-CG 4.37Å; K175-E179 IonicContact NZ-OE1 2.71Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.43Å |
| 176 | W | 93.8 | Very high | 92.8 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.7 | -172.9 | -106.2 | 0 | 0 | 0 | 113.2 | I145 C172 L173 S178 E179 R180 E186 | I145-W176 HydrophobicContact CD1-CB 3.98Å; I145-W176 HydrophobicContact CD1-CG 4.29Å; C172-W176 WeakPolarHBondContact O-CB 3.29Å; C172-W176 PolarHBondContact O-N 3.46Å; L173-W176 WeakPolarHBondContact O-CB 3.48Å; L173-W176 PolarHBondContact O-N 3.23Å; W176-S178 VanDerWaalsContact C-N 3.3Å; W176-S178 PolarHBondContact O-N 2.88Å; W176-E179 PolarHBondContact O-N 2.93Å; W176-R180 HydrophobicContact CD2-CG 4Å; W176-R180 HydrophobicContact CG-CG 4.29Å; W176-R180 HydrophobicContact CZ2-CG 4.23Å; W176-R180 VanDerWaalsContact CZ2-NE 3.28Å; W176-R180 VanDerWaalsContact O-CB 3.29Å; W176-R180 WeakPolarHBondContact O-CB 3.3Å; W176-R180 VanDerWaalsContact O-CG 3.29Å; W176-R180 WeakPolarHBondContact O-CG 3.44Å; W176-R180 PolarHBondContact O-N 2.91Å; W176-E186 WeakPolarHBondContact CZ2-OE1 3.47Å; W176-E186 VanDerWaalsContact CZ2-OE2 3.32Å; W176-E186 WeakPolarHBondContact CZ2-OE2 3.28Å; W176-E186 PolarHBondContact NE1-OE1 2.85Å; W176-E186 VanDerWaalsContact NE1-OE1 3.17Å |
| 177 | I | 93.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.1 | -69.8 | 166.8 | 0 | 0 | 0 | 110.3 | L173 I174 K175 G181 W183 Y192 V194 | L173-I177 HydrophobicContact CD2-CD1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.96Å; L173-I177 HydrophobicContact CG-CG1 4.43Å; L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.91Å; I174-I177 PolarHBondContact O-N 3.49Å; K175-I177 PolarHBondContact O-N 3.45Å; I177-G181 WeakPolarHBondContact O-CA 3.28Å; I177-G181 PolarHBondContact O-N 3.45Å; I177-W183 HydrophobicContact CD1-CE3 4.44Å; I177-W183 HydrophobicContact CG2-CD2 3.71Å; I177-W183 HydrophobicContact CG2-CE3 3.82Å; I177-W183 HydrophobicContact CG2-CG 4.2Å; I177-W183 HydrophobicContact CG2-CH2 4.28Å; I177-W183 HydrophobicContact CG2-CZ2 4.19Å; I177-W183 HydrophobicContact CG2-CZ3 4.1Å; I177-Y192 HydrophobicContact CD1-CD2 3.58Å; I177-Y192 HydrophobicContact CD1-CE2 4.25Å; I177-Y192 HydrophobicContact CD1-CG 4.1Å; I177-Y192 HydrophobicContact CG1-CD2 3.74Å; I177-Y192 HydrophobicContact CG1-CE2 4Å; I177-V194 HydrophobicContact CD1-CG2 4.23Å |
| 178 | S | 90.1 | Very high | 93 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 70% | 0.699 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.7 | -37.4 | 178.6 | -169.7 | 0 | 0 | 0 | 0 | 113.3 | I174 K175 W176 | I174-S178 WeakPolarHBondContact O-CB 3.32Å; I174-S178 PolarHBondContact O-N 2.89Å; K175-S178 WeakPolarHBondContact O-CB 3.18Å; K175-S178 PolarHBondContact O-N 3.32Å; K175-S178 VanDerWaalsContact O-N 3.14Å; W176-S178 VanDerWaalsContact C-N 3.3Å; W176-S178 PolarHBondContact O-N 2.88Å |
| 179 | E | 93.3 | Very high | 92.9 | Very high | 126 Ų | 126 | 70.5 Ų | 70.5 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -78.4 | -36.5 | 180 | -72.2 | 173.3 | 164.9 | 0 | 0 | 112.4 | K175 W176 | K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 HydrophobicContact CG-CG 4.37Å; K175-E179 IonicContact NZ-OE1 2.71Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.43Å; W176-E179 PolarHBondContact O-N 2.93Å |
| 180 | R | 93.6 | Very high | 92.8 | Very high | 151 Ų | 151 | 72.4 Ų | 72.4 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -83.7 | -19.9 | 178.3 | -65.1 | -63.8 | -133.9 | 176.4 | 9.3 | 113.7 | W176 S182 E186 | W176-R180 HydrophobicContact CD2-CG 4Å; W176-R180 HydrophobicContact CG-CG 4.29Å; W176-R180 HydrophobicContact CZ2-CG 4.23Å; W176-R180 VanDerWaalsContact CZ2-NE 3.28Å; W176-R180 VanDerWaalsContact O-CB 3.29Å; W176-R180 WeakPolarHBondContact O-CB 3.3Å; W176-R180 VanDerWaalsContact O-CG 3.29Å; W176-R180 WeakPolarHBondContact O-CG 3.44Å; W176-R180 PolarHBondContact O-N 2.91Å; R180-S182 PolarHBondContact O-N 3.2Å; R180-E186 IonicContact CZ-OE2 3.65Å; R180-E186 IonicContact NE-OE2 2.76Å; R180-E186 IonicContact NH2-OE2 2.94Å; R180-E186 PolarHBondContact NH2-OE2 3.07Å |
| 181 | G | 92 | Very high | 92.9 | Very high | 62 Ų | 62 | 76.4 Ų | 76.4 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | trans | 67.9 | 8.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | I177 | I177-G181 WeakPolarHBondContact O-CA 3.28Å; I177-G181 PolarHBondContact O-N 3.45Å | ||
| 182 | S | 92.8 | Very high | 93 | Very high | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | trans | -112.8 | 127.5 | -176 | 179.3 | 0 | 0 | 0 | 0 | 112 | R180 A184 | R180-S182 PolarHBondContact O-N 3.2Å; S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact OG-N 3.5Å; S182-A184 PolarHBondContact OG-O 2.85Å | ||
| 183 | W | 93 | Very high | 92.8 | Very high | 131 Ų | 131 | 75.9 Ų | 75.9 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -88.5 | 12.4 | 172.5 | -63.2 | 84.9 | 0 | 0 | 0 | 113 | I177 K191 Y192 V194 | I177-W183 HydrophobicContact CD1-CE3 4.44Å; I177-W183 HydrophobicContact CG2-CD2 3.71Å; I177-W183 HydrophobicContact CG2-CE3 3.82Å; I177-W183 HydrophobicContact CG2-CG 4.2Å; I177-W183 HydrophobicContact CG2-CH2 4.28Å; I177-W183 HydrophobicContact CG2-CZ2 4.19Å; I177-W183 HydrophobicContact CG2-CZ3 4.1Å; W183-K191 CarbonylContact O-C 3.57Å; W183-K191 WeakPolarHBondContact O-CA 3.31Å; W183-Y192 WeakPolarHBondContact O-CD2 3.43Å; W183-Y192 PolarHBondContact O-N 2.86Å; W183-V194 HydrophobicContact CE3-CB 4.45Å; W183-V194 HydrophobicContact CE3-CG2 4.12Å; W183-V194 HydrophobicContact CZ3-CB 3.91Å; W183-V194 HydrophobicContact CZ3-CG1 4.27Å; W183-V194 HydrophobicContact CZ3-CG2 3.88Å |
| 184 | A | 94 | Very high | 92.6 | Very high | 30 Ų | 30 | 77.1 Ų | 77.1 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 149.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S182 E186 Y190 | S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact OG-N 3.5Å; S182-A184 PolarHBondContact OG-O 2.85Å; A184-E186 PolarHBondContact O-N 2.83Å; A184-Y190 WeakPolarHBondContact CA-O 3.46Å |
| 185 | C | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | trans | -67.6 | 128.5 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | C159 L187 C188 Y189 Y190 Y192 | C159-C185 HydrophobicContact CB-CB 3.97Å; C185-L187 PolarHBondContact O-N 3.27Å; C185-L187 VanDerWaalsContact O-N 3.17Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C185-Y189 WeakPolarHBondContact O-CA 3.25Å; C185-Y189 PolarHBondContact O-N 3.5Å; C185-Y190 PolarHBondContact N-O 3.16Å; C185-Y192 WeakPolarHBondContact CA-OH 3.38Å; C185-Y192 HydrophobicContact CB-CE1 3.84Å | ||
| 186 | E | 94.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 74 Ų | 74 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.2 | -179 | 73 | -140.5 | 119.8 | 0 | 0 | 114.8 | R144 W176 R180 A184 | R144-E186 IonicContact CZ-OE1 3.78Å; R144-E186 IonicContact NH1-OE1 3.42Å; R144-E186 IonicContact NH2-OE1 3.53Å; R144-E186 PolarHBondContact NH2-OE1 2.9Å; W176-E186 WeakPolarHBondContact CZ2-OE1 3.47Å; W176-E186 VanDerWaalsContact CZ2-OE2 3.32Å; W176-E186 WeakPolarHBondContact CZ2-OE2 3.28Å; W176-E186 PolarHBondContact NE1-OE1 2.85Å; W176-E186 VanDerWaalsContact NE1-OE1 3.17Å; R180-E186 IonicContact CZ-OE2 3.65Å; R180-E186 IonicContact NE-OE2 2.76Å; R180-E186 IonicContact NH2-OE2 2.94Å; R180-E186 PolarHBondContact NH2-OE2 3.07Å; A184-E186 PolarHBondContact O-N 2.83Å |
| 187 | L | 93.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 76.1 Ų | 76.1 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -48.2 | -178.5 | -61.9 | 175.5 | 0 | 0 | 0 | 112.6 | V165 C185 | V165-L187 HydrophobicContact CB-CD1 4.39Å; V165-L187 HydrophobicContact CG2-CD1 4.44Å; C185-L187 PolarHBondContact O-N 3.27Å; C185-L187 VanDerWaalsContact O-N 3.17Å |
| 188 | C | 92.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 78.7 Ų | 78.7 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 4.6 | -174.5 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | R160 C185 Y190 | R160-C188 HydrophobicContact CB-CB 4.26Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C188-Y190 PolarHBondContact O-N 2.88Å |
| 189 | Y | 92.9 | Very high | 90.2 | Very high | 186 Ų | 186 | 76.9 Ų | 76.9 | 73% | 0.729 | 40% | 0.395 | S | S | * | . | trans | 55.5 | 5.7 | 178.8 | -58 | -77.5 | 0 | 0 | 0 | 116.4 | C185 K191 | C185-Y189 WeakPolarHBondContact O-CA 3.25Å; C185-Y189 PolarHBondContact O-N 3.5Å; Y189-K191 PolarHBondContact O-N 3.17Å | ||
| 190 | Y | 92.4 | Very high | 89.7 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -65 | 131.4 | 174.9 | -174.6 | -104.1 | 0 | 0 | 0 | 111.2 | C159 R160 A184 C185 C188 Y192 Y297 | C159-Y190 HydrophobicContact CB-CD1 4.06Å; R160-Y190 HydrophobicContact CG-CD2 4.1Å; R160-Y190 HydrophobicContact CG-CG 4.04Å; A184-Y190 WeakPolarHBondContact CA-O 3.46Å; C185-Y190 PolarHBondContact N-O 3.16Å; C188-Y190 PolarHBondContact O-N 2.88Å; Y190-Y192 PolarHBondContact O-N 3.18Å; Y190-Y297 HydrophobicContact CD1-CD2 4.28Å; Y190-Y297 HydrophobicContact CD2-CE2 4.47Å; Y190-Y297 AromaticContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CE2 4.45Å; Y190-Y297 HydrophobicContact CE1-CG 4.35Å; Y190-Y297 AromaticContact CE2-CD2 3.93Å; Y190-Y297 HydrophobicContact CE2-CD2 3.93Å; Y190-Y297 AromaticContact CE2-CE2 3.92Å; Y190-Y297 HydrophobicContact CE2-CE2 3.92Å; Y190-Y297 AromaticContact CZ-CD2 3.46Å; Y190-Y297 VanDerWaalsContact CZ-CD2 3.46Å; Y190-Y297 AromaticContact CZ-CE2 3.92Å |
| 191 | K | 92.9 | Very high | 89.2 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 123.6 | 177.9 | -172.1 | 172.9 | -178.3 | 173.4 | 0 | 110.2 | W183 Y189 Q193 | W183-K191 CarbonylContact O-C 3.57Å; W183-K191 WeakPolarHBondContact O-CA 3.31Å; Y189-K191 PolarHBondContact O-N 3.17Å; K191-Q193 PolarHBondContact O-N 2.77Å |
| 192 | Y | 93.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.7 | 179.2 | -61.2 | -56.6 | 0 | 0 | 0 | 110.8 | P158 C159 L173 I177 W183 C185 Y190 V194 | P158-Y192 HydrophobicContact CB-CD1 3.86Å; P158-Y192 HydrophobicContact CB-CE1 4.22Å; P158-Y192 HydrophobicContact CG-CD1 4.07Å; P158-Y192 HydrophobicContact CG-CE1 3.9Å; C159-Y192 HydrophobicContact CB-CD1 4.36Å; C159-Y192 HydrophobicContact CB-CE1 3.98Å; L173-Y192 HydrophobicContact CD1-CD1 4.45Å; L173-Y192 HydrophobicContact CD1-CE1 3.93Å; L173-Y192 HydrophobicContact CD1-CE2 4.13Å; L173-Y192 HydrophobicContact CD2-CD1 4.16Å; L173-Y192 HydrophobicContact CD2-CE1 4.41Å; L173-Y192 HydrophobicContact CD2-CG 4.34Å; I177-Y192 HydrophobicContact CD1-CD2 3.58Å; I177-Y192 HydrophobicContact CD1-CE2 4.25Å; I177-Y192 HydrophobicContact CD1-CG 4.1Å; I177-Y192 HydrophobicContact CG1-CD2 3.74Å; I177-Y192 HydrophobicContact CG1-CE2 4Å; W183-Y192 WeakPolarHBondContact O-CD2 3.43Å; W183-Y192 PolarHBondContact O-N 2.86Å; C185-Y192 WeakPolarHBondContact CA-OH 3.38Å; C185-Y192 HydrophobicContact CB-CE1 3.84Å; Y190-Y192 PolarHBondContact O-N 3.18Å; Y192-V194 PolarHBondContact O-N 2.95Å; Y192-V194 VanDerWaalsContact O-N 3.16Å |
| 193 | Q | 89.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 79 Ų | 79 | 46% | 0.458 | 40% | 0.403 | S | S | . | . | trans | -84.8 | 92.8 | 179.5 | -163.5 | 66.4 | 9.2 | 0 | 0 | 110.3 | K191 L295 | K191-Q193 PolarHBondContact O-N 2.77Å; Q193-L295 HydrophobicContact CB-CB 4.32Å; Q193-L295 HydrophobicContact CG-CB 4.46Å; Q193-L295 HydrophobicContact CG-CD1 4.14Å; Q193-L295 PolarHBondContact O-N 2.93Å | ||
| 194 | V | 88.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 16% | 0.158 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.8 | 178.5 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | I174 I177 W183 Y192 W292 V294 | I174-V194 HydrophobicContact CD1-CG1 3.77Å; I174-V194 HydrophobicContact CD1-CG2 4.33Å; I177-V194 HydrophobicContact CD1-CG2 4.23Å; W183-V194 HydrophobicContact CE3-CB 4.45Å; W183-V194 HydrophobicContact CE3-CG2 4.12Å; W183-V194 HydrophobicContact CZ3-CB 3.91Å; W183-V194 HydrophobicContact CZ3-CG1 4.27Å; W183-V194 HydrophobicContact CZ3-CG2 3.88Å; Y192-V194 PolarHBondContact O-N 2.95Å; Y192-V194 VanDerWaalsContact O-N 3.16Å; V194-W292 HydrophobicContact CG1-CB 4.05Å; V194-W292 HydrophobicContact CG1-CE3 4.09Å; V194-V294 HydrophobicContact CG2-CG2 4.22Å |
| 195 | I | 85.8 | Confident | 87.4 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.1 | 175.8 | 66.2 | 171 | 0 | 0 | 0 | 110.8 | W292 K293 L295 | I195-W292 CarbonylContact O-C 3.55Å; I195-W292 WeakPolarHBondContact O-CA 3.46Å; I195-K293 HydrophobicContact CG1-CB 4.47Å; I195-K293 PolarHBondContact N-O 3.4Å; I195-K293 PolarHBondContact O-N 2.85Å; I195-L295 HydrophobicContact CB-CD1 4.25Å; I195-L295 HydrophobicContact CD1-CD1 3.85Å; I195-L295 HydrophobicContact CG1-CD1 3.66Å; I195-L295 HydrophobicContact CG2-CD1 3.74Å |
| 196 | A | 83.8 | Confident | 87 | Confident | 40 Ų | 40 | 89.4 Ų | 89.4 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q290 W292 | A196-Q290 HydrophobicContact CB-CG 3.5Å; A196-Q290 VanDerWaalsContact CB-NE2 3.28Å; A196-W292 HydrophobicContact CB-CE3 4.18Å; A196-W292 HydrophobicContact CB-CZ3 4.05Å |
| 197 | I | 81.5 | Confident | 86.5 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -53.5 | 175.1 | -37.5 | -177.8 | 0 | 0 | 0 | 110.9 | Q291 K293 | I197-Q291 PolarHBondContact N-O 2.85Å; I197-K293 HydrophobicContact CD1-CB 3.6Å; I197-K293 HydrophobicContact CD1-CD 3.63Å; I197-K293 HydrophobicContact CD1-CG 4.23Å; I197-K293 HydrophobicContact CG1-CB 3.6Å; I197-K293 HydrophobicContact CG1-CD 4.38Å |
| 198 | S | 76.8 | Confident | 86.3 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 42% | 0.42 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 159.5 | -168.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | Q291 | S198-Q291 PolarHBondContact O-N 3.43Å |
| 199 | T | 82.6 | Confident | 86 | Confident | 62 Ų | 62 | 90.4 Ų | 90.4 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.5 | 155.7 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | N289 | T199-N289 WeakPolarHBondContact CA-O 3.29Å |
| 200 | K | 82.4 | Confident | 85.9 | Confident | 62 Ų | 62 | 84.3 Ų | 84.3 | 27% | 0.27 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 158 | 168 | -67.4 | 169.4 | -175.8 | 167.4 | 0 | 110.2 | Q204 W205 V288 N289 Q291 | K200-Q204 HydrophobicContact CB-CB 4.29Å; K200-W205 PolarHBondContact O-NE1 2.89Å; K200-V288 PolarHBondContact NZ-O 2.97Å; K200-N289 WeakPolarHBondContact CG-O 3.4Å; K200-N289 PolarHBondContact N-O 3.44Å; K200-Q291 HydrophobicContact CG-CG 3.56Å |
| 201 | N | 83.3 | Confident | 85.9 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -56 | 147 | 168.9 | -73.1 | -42.1 | 0 | 0 | 0 | 110.5 | L203 Q204 | N201-L203 PolarHBondContact O-N 3.05Å; N201-L203 VanDerWaalsContact O-N 3.16Å; N201-Q204 HydrophobicContact CB-CG 4.44Å; N201-Q204 CarbonylContact O-C 3.58Å; N201-Q204 WeakPolarHBondContact O-CA 2.77Å; N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 3.14Å |
| 202 | P | 81.5 | Confident | 86 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -59.6 | -30.5 | -176.4 | 22.6 | -33.4 | 0 | 0 | 0 | 113.7 | Q204 W205 | P202-Q204 PolarHBondContact O-N 3.22Å; P202-W205 HydrophobicContact CB-CD2 4.24Å; P202-W205 HydrophobicContact CB-CE3 4.42Å; P202-W205 HydrophobicContact CB-CH2 4.36Å; P202-W205 HydrophobicContact CB-CZ2 4.17Å; P202-W205 HydrophobicContact CB-CZ3 4.48Å; P202-W205 PolarHBondContact O-N 2.93Å |
| 203 | L | 81.4 | Confident | 85.9 | Confident | 165 Ų | 165 | 89.7 Ų | 89.7 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -69.6 | -7.7 | 173.7 | -61.2 | 171.6 | 0 | 0 | 0 | 114.2 | N201 | N201-L203 PolarHBondContact O-N 3.05Å; N201-L203 VanDerWaalsContact O-N 3.16Å |
| 204 | Q | 84.4 | Confident | 86.1 | Confident | 136 Ų | 136 | 85.8 Ų | 85.8 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -120.9 | 16.7 | -178.1 | -63.2 | -73 | -67.6 | 0 | 0 | 111 | K200 N201 P202 Q206 | K200-Q204 HydrophobicContact CB-CB 4.29Å; N201-Q204 HydrophobicContact CB-CG 4.44Å; N201-Q204 CarbonylContact O-C 3.58Å; N201-Q204 WeakPolarHBondContact O-CA 2.77Å; N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 3.14Å; P202-Q204 PolarHBondContact O-N 3.22Å; Q204-Q206 PolarHBondContact O-N 3.45Å |
| 205 | W | 87.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 122 | 177.6 | -73.2 | -2.3 | 0 | 0 | 0 | 111.1 | K200 P202 A207 W285 N289 | K200-W205 PolarHBondContact O-NE1 2.89Å; P202-W205 HydrophobicContact CB-CD2 4.24Å; P202-W205 HydrophobicContact CB-CE3 4.42Å; P202-W205 HydrophobicContact CB-CH2 4.36Å; P202-W205 HydrophobicContact CB-CZ2 4.17Å; P202-W205 HydrophobicContact CB-CZ3 4.48Å; P202-W205 PolarHBondContact O-N 2.93Å; W205-A207 PolarHBondContact O-N 2.97Å; W205-W285 HydrophobicContact CD2-CH2 4.42Å; W205-W285 AromaticContact CD2-CZ2 3.65Å; W205-W285 HydrophobicContact CD2-CZ2 3.65Å; W205-W285 AromaticContact CE2-CZ2 3.79Å; W205-W285 AromaticContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CG-CZ2 4.13Å; W205-W285 HydrophobicContact CH2-CH2 4.35Å; W205-W285 HydrophobicContact CH2-CZ2 4.27Å; W205-W285 HydrophobicContact CZ2-CH2 4.09Å; W205-W285 HydrophobicContact CZ2-CZ2 4.12Å; W205-W285 HydrophobicContact CZ3-CZ2 4.13Å; W205-N289 VanDerWaalsContact CA-OD1 3.25Å; W205-N289 WeakPolarHBondContact CA-OD1 3.37Å |
| 206 | Q | 85.6 | Confident | 86.7 | Confident | 124 Ų | 124 | 91.4 Ų | 91.4 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 120.3 | 172.8 | -160.4 | 71.7 | -15.1 | 0 | 0 | 109 | Q204 V288 N289 | Q204-Q206 PolarHBondContact O-N 3.45Å; Q206-V288 HydrophobicContact CB-CG1 3.88Å; Q206-V288 HydrophobicContact CG-CG1 4.25Å; Q206-N289 PolarHBondContact N-OD1 3.47Å; Q206-N289 PolarHBondContact O-ND2 3.5Å |
| 207 | A | 84.5 | Confident | 87.2 | Confident | 93 Ų | 93 | 91.9 Ų | 91.9 | 77% | 0.769 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 132.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | W205 | W205-A207 PolarHBondContact O-N 2.97Š|
| 208 | I | 89.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 17% | 0.174 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 147.3 | 173.1 | -155.5 | 155.7 | 0 | 0 | 0 | 109.5 | L210 R284 V288 | I208-L210 HydrophobicContact CG2-CD1 4.08Å; I208-L210 HydrophobicContact CG2-CG 4.25Å; I208-L210 WeakPolarHBondContact O-CD1 3.47Å; I208-L210 PolarHBondContact O-N 3.42Å; I208-R284 HydrophobicContact CD1-CB 4.22Å; I208-R284 HydrophobicContact CD1-CG 3.56Å; I208-V288 HydrophobicContact CD1-CG2 4.11Å |
| 209 | S | 86.5 | Confident | 88.5 | Confident | 105 Ų | 105 | 88 Ų | 88 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65 | 122.2 | 169.5 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | R284 | S209-R284 PolarHBondContact O-NH2 3.43Š|
| 210 | L | 89.7 | Confident | 89.1 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | trans | -108.6 | 136.3 | 170.9 | -67.2 | 107 | 0 | 0 | 0 | 109.7 | I208 E214 K215 I218 I281 | I208-L210 HydrophobicContact CG2-CD1 4.08Å; I208-L210 HydrophobicContact CG2-CG 4.25Å; I208-L210 WeakPolarHBondContact O-CD1 3.47Å; I208-L210 PolarHBondContact O-N 3.42Å; L210-E214 WeakPolarHBondContact CA-OE2 3.43Å; L210-E214 HydrophobicContact CB-CB 4.36Å; L210-E214 HydrophobicContact CD2-CB 4.2Å; L210-K215 HydrophobicContact CB-CG 3.92Å; L210-K215 WeakPolarHBondContact O-CE 3.41Å; L210-I218 HydrophobicContact CD2-CD1 3.39Å; L210-I281 HydrophobicContact CD2-CG1 4.47Å; L210-I281 HydrophobicContact CD2-CG2 3.71Å | ||
| 211 | T | 93.4 | Very high | 89.6 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | trans | -69.3 | 161.5 | 171.3 | 77.5 | 0 | 0 | 0 | 0 | 110.7 | I213 E214 K215 | T211-I213 PolarHBondContact O-N 3.26Å; T211-E214 PolarHBondContact N-OE2 3.12Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 WeakPolarHBondContact OG1-CG 3.38Å; T211-E214 PolarHBondContact OG1-N 3.44Å; T211-K215 WeakPolarHBondContact O-CG 3.41Å; T211-K215 PolarHBondContact O-N 3.49Å | ||
| 212 | V | 93.9 | Very high | 90.2 | Very high | 112 Ų | 112 | 84.2 Ų | 84.2 | 68% | 0.679 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.8 | -38.3 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | K215 V216 | V212-K215 PolarHBondContact O-N 3.39Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.01Å |
| 213 | I | 92.5 | Very high | 90.8 | Very high | 120 Ų | 120 | 85.7 Ų | 85.7 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -47.2 | 178.3 | -58 | 166.9 | 0 | 0 | 0 | 110.5 | T211 K215 V216 Q217 | T211-I213 PolarHBondContact O-N 3.26Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.46Å; I213-V216 PolarHBondContact O-N 3.05Å; I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 3.38Å |
| 214 | E | 92.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 78.7 Ų | 78.7 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.1 | -66.3 | 178.8 | 142.4 | 0 | 0 | 111.6 | L210 T211 Q217 I218 I281 R284 | L210-E214 WeakPolarHBondContact CA-OE2 3.43Å; L210-E214 HydrophobicContact CB-CB 4.36Å; L210-E214 HydrophobicContact CD2-CB 4.2Å; T211-E214 PolarHBondContact N-OE2 3.12Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 WeakPolarHBondContact OG1-CG 3.38Å; T211-E214 PolarHBondContact OG1-N 3.44Å; E214-Q217 PolarHBondContact O-N 2.89Å; E214-I218 WeakPolarHBondContact O-CD1 3.38Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.19Å; E214-I218 PolarHBondContact O-N 3.45Å; E214-I281 HydrophobicContact CB-CD1 4.29Å; E214-I281 HydrophobicContact CB-CG1 4.16Å; E214-I281 HydrophobicContact CG-CD1 3.88Å; E214-I281 HydrophobicContact CG-CG1 4.03Å; E214-R284 IonicContact OE1-CZ 3.76Å; E214-R284 IonicContact OE1-NH1 3.64Å; E214-R284 PolarHBondContact OE1-NH1 3.4Å; E214-R284 IonicContact OE1-NH2 2.89Å; E214-R284 PolarHBondContact OE1-NH2 3.16Å; E214-R284 IonicContact OE2-CZ 3.62Å; E214-R284 IonicContact OE2-NH1 3.59Å; E214-R284 IonicContact OE2-NH2 2.79Å; E214-R284 PolarHBondContact OE2-NH2 3.07Å |
| 215 | K | 93 | Very high | 92 | Very high | 124 Ų | 124 | 74.4 Ų | 74.4 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -44 | 176.1 | -68.5 | 175.1 | -176.9 | -177.5 | 0 | 112.3 | L210 T211 V212 I213 I218 A219 | L210-K215 HydrophobicContact CB-CG 3.92Å; L210-K215 WeakPolarHBondContact O-CE 3.41Å; T211-K215 WeakPolarHBondContact O-CG 3.41Å; T211-K215 PolarHBondContact O-N 3.49Å; V212-K215 PolarHBondContact O-N 3.39Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.46Å; K215-I218 PolarHBondContact O-N 3.44Å; K215-A219 WeakPolarHBondContact O-CB 3.38Å; K215-A219 PolarHBondContact O-N 3.3Å |
| 216 | V | 95.1 | Very high | 92.4 | Very high | 93 Ų | 93 | 73.9 Ų | 73.9 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 178 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V212 I213 I218 A219 A220 | V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.01Å; I213-V216 PolarHBondContact O-N 3.05Å; V216-I218 PolarHBondContact O-N 2.82Å; V216-A219 PolarHBondContact O-N 2.87Å; V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 2.99Å |
| 217 | Q | 93.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 72.5 Ų | 72.5 | 23% | 0.234 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.1 | -72.1 | 179.2 | -36.6 | 0 | 0 | 112.4 | I213 E214 A220 A221 S277 | I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 3.38Å; E214-Q217 PolarHBondContact O-N 2.89Å; Q217-A220 PolarHBondContact O-N 3.35Å; Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.31Å; Q217-S277 PolarHBondContact OE1-OG 3.23Å |
| 218 | I | 92.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 175.8 | -68.6 | 162.6 | 0 | 0 | 0 | 111 | L210 E214 K215 V216 A220 A221 I222 V278 I281 | L210-I218 HydrophobicContact CD2-CD1 3.39Å; E214-I218 WeakPolarHBondContact O-CD1 3.38Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.19Å; E214-I218 PolarHBondContact O-N 3.45Å; K215-I218 PolarHBondContact O-N 3.44Å; V216-I218 PolarHBondContact O-N 2.82Å; I218-A220 PolarHBondContact O-N 3.03Å; I218-A221 PolarHBondContact O-N 3.49Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CB 3.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 3.34Å; I218-V278 HydrophobicContact CG1-CG1 4.31Å; I218-V278 HydrophobicContact CG1-CG2 4.11Å; I218-I281 HydrophobicContact CD1-CG2 4.06Å |
| 219 | A | 93.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 72.8 Ų | 72.8 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K215 V216 I222 L223 | K215-A219 WeakPolarHBondContact O-CB 3.38Å; K215-A219 PolarHBondContact O-N 3.3Å; V216-A219 PolarHBondContact O-N 2.87Å; A219-I222 PolarHBondContact O-N 3.3Å; A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.85Å |
| 220 | A | 93.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V216 Q217 I218 I222 L223 G224 | V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 2.99Å; Q217-A220 PolarHBondContact O-N 3.35Å; I218-A220 PolarHBondContact O-N 3.03Å; A220-I222 PolarHBondContact O-N 3.22Å; A220-L223 PolarHBondContact O-N 3.16Å; A220-G224 PolarHBondContact O-N 3.32Å |
| 221 | A | 94.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 68.3 Ų | 68.3 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q217 I218 S225 V278 | Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.31Å; I218-A221 PolarHBondContact O-N 3.49Å; A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.44Å; A221-S225 PolarHBondContact O-N 3.26Å; A221-S225 PolarHBondContact O-OG 3.16Å; A221-V278 HydrophobicContact CB-CG2 3.97Å |
| 222 | I | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 67.9 Ų | 67.9 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -50.5 | 175.9 | -70 | 167.7 | 0 | 0 | 0 | 110.6 | I218 A219 A220 G224 S225 L226 | I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CB 3.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 3.34Å; A219-I222 PolarHBondContact O-N 3.3Å; A220-I222 PolarHBondContact O-N 3.22Å; I222-G224 PolarHBondContact O-N 3.48Å; I222-S225 PolarHBondContact O-N 2.95Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.48Å |
| 223 | L | 94.7 | Very high | 94.9 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | -179.1 | -69.7 | 171 | 0 | 0 | 0 | 111.8 | A219 A220 L226 F227 | A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.85Å; A220-L223 PolarHBondContact O-N 3.16Å; L223-L226 PolarHBondContact O-N 3.25Å; L223-F227 WeakPolarHBondContact O-CB 3.3Å; L223-F227 PolarHBondContact O-N 3.07Å |
| 224 | G | 95 | Very high | 94.9 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 19% | 0.186 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A220 I222 F227 L228 | A220-G224 PolarHBondContact O-N 3.32Å; I222-G224 PolarHBondContact O-N 3.48Å; G224-F227 PolarHBondContact O-N 3.01Å; G224-L228 VanDerWaalsContact O-CB 3.24Å; G224-L228 WeakPolarHBondContact O-CB 3.3Å; G224-L228 PolarHBondContact O-N 3.27Å |
| 225 | S | 95.7 | Very high | 94.8 | Very high | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | A221 I222 M229 | A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.44Å; A221-S225 PolarHBondContact O-N 3.26Å; A221-S225 PolarHBondContact O-OG 3.16Å; I222-S225 PolarHBondContact O-N 2.95Å; S225-M229 WeakPolarHBondContact O-CB 3.09Å; S225-M229 VanDerWaalsContact O-CG 3.25Å; S225-M229 WeakPolarHBondContact O-CG 3.48Å; S225-M229 PolarHBondContact O-N 3.1Å |
| 226 | L | 96.6 | Very high | 94.8 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 177.5 | -72 | 171.5 | 0 | 0 | 0 | 111.7 | I222 L223 M229 A230 | I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.48Å; L223-L226 PolarHBondContact O-N 3.25Å; L226-M229 PolarHBondContact O-N 3.31Å; L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3Å |
| 227 | F | 95.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 68.1 Ų | 68.1 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 175.4 | 176.9 | -92.5 | 0 | 0 | 0 | 111.5 | L223 G224 M229 A230 S231 M263 C267 | L223-F227 WeakPolarHBondContact O-CB 3.3Å; L223-F227 PolarHBondContact O-N 3.07Å; G224-F227 PolarHBondContact O-N 3.01Å; F227-M229 VanDerWaalsContact C-N 3.35Å; F227-M229 PolarHBondContact O-N 3.08Å; F227-A230 PolarHBondContact O-N 3.04Å; F227-S231 WeakPolarHBondContact O-CB 3.37Å; F227-S231 PolarHBondContact O-N 3.14Å; F227-M263 HydrophobicContact CE1-CB 4.2Å; F227-M263 HydrophobicContact CZ-CB 4.44Å; F227-C267 VanDerWaalsContact CD1-SG 3.53Å |
| 228 | L | 96.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 177.9 | 174.9 | 146.5 | 0 | 0 | 0 | 112 | G224 A230 S231 I232 C267 I268 I271 | G224-L228 VanDerWaalsContact O-CB 3.24Å; G224-L228 WeakPolarHBondContact O-CB 3.3Å; G224-L228 PolarHBondContact O-N 3.27Å; L228-A230 PolarHBondContact O-N 3.28Å; L228-S231 PolarHBondContact O-N 3.32Å; L228-I232 HydrophobicContact CD2-CD1 3.54Å; L228-I232 HydrophobicContact CG-CD1 3.8Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 3.41Å; L228-C267 HydrophobicContact CB-CB 4.3Å; L228-C267 HydrophobicContact CD1-CB 4.22Å; L228-I268 HydrophobicContact CD1-CD1 4.27Å; L228-I268 HydrophobicContact CD1-CG1 3.42Å; L228-I268 VanDerWaalsContact CD1-CG1 3.42Å; L228-I271 HydrophobicContact CD1-CD1 4.12Å |
| 229 | M | 97.3 | Very high | 94 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 177.1 | -74.2 | -58.7 | -56.1 | 0 | 0 | 112.2 | S225 L226 F227 S233 | S225-M229 WeakPolarHBondContact O-CB 3.09Å; S225-M229 VanDerWaalsContact O-CG 3.25Å; S225-M229 WeakPolarHBondContact O-CG 3.48Å; S225-M229 PolarHBondContact O-N 3.1Å; L226-M229 PolarHBondContact O-N 3.31Å; F227-M229 VanDerWaalsContact C-N 3.35Å; F227-M229 PolarHBondContact O-N 3.08Å; M229-S233 VanDerWaalsContact O-CB 3.23Å; M229-S233 WeakPolarHBondContact O-CB 3.49Å; M229-S233 PolarHBondContact O-N 3.49Å; M229-S233 PolarHBondContact O-OG 2.83Å |
| 230 | A | 96.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 73.1 Ų | 73.1 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L226 F227 L228 S233 W234 | L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3Å; F227-A230 PolarHBondContact O-N 3.04Å; L228-A230 PolarHBondContact O-N 3.28Å; A230-S233 PolarHBondContact O-N 2.8Å; A230-W234 WeakPolarHBondContact O-CB 3.13Å; A230-W234 PolarHBondContact O-N 2.81Å |
| 231 | S | 96.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | F227 L228 S233 W234 L235 D264 | F227-S231 WeakPolarHBondContact O-CB 3.37Å; F227-S231 PolarHBondContact O-N 3.14Å; L228-S231 PolarHBondContact O-N 3.32Å; S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.17Å; S231-W234 CarbonylContact O-C 3.59Å; S231-W234 WeakPolarHBondContact O-CB 2.97Å; S231-W234 PolarHBondContact O-N 3.27Å; S231-W234 VanDerWaalsContact O-N 3.11Å; S231-L235 WeakPolarHBondContact O-CG 3.22Å; S231-L235 PolarHBondContact O-N 2.95Å; S231-D264 WeakPolarHBondContact CB-OD1 3.41Å; S231-D264 VanDerWaalsContact OG-CG 3.23Å; S231-D264 PolarHBondContact OG-OD1 3.23Å; S231-D264 PolarHBondContact OG-OD2 3.36Å |
| 232 | I | 95.5 | Very high | 92.4 | Very high | 68 Ų | 68 | 76.3 Ų | 76.3 | 35% | 0.349 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175 | -67.8 | 174.4 | 0 | 0 | 0 | 111 | L228 W234 L235 V236 | L228-I232 HydrophobicContact CD2-CD1 3.54Å; L228-I232 HydrophobicContact CG-CD1 3.8Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 3.41Å; I232-W234 VanDerWaalsContact C-N 3.29Å; I232-W234 PolarHBondContact O-N 3.15Å; I232-L235 PolarHBondContact O-N 2.66Å; I232-V236 HydrophobicContact CG2-CG2 4.15Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG2 3.23Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.42Å |
| 233 | S | 95.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 77.3 Ų | 77.3 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | M229 A230 S231 W237 | M229-S233 VanDerWaalsContact O-CB 3.23Å; M229-S233 WeakPolarHBondContact O-CB 3.49Å; M229-S233 PolarHBondContact O-N 3.49Å; M229-S233 PolarHBondContact O-OG 2.83Å; A230-S233 PolarHBondContact O-N 2.8Å; S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.17Å; S233-W237 WeakPolarHBondContact O-CB 3.25Å; S233-W237 PolarHBondContact O-N 2.89Å |
| 234 | W | 92.9 | Very high | 89.7 | Confident | 98 Ų | 98 | 73 Ų | 73 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 174.8 | -174.6 | 87.8 | 0 | 0 | 0 | 111.7 | A230 S231 I232 V236 W237 S238 Y257 Y260 | A230-W234 WeakPolarHBondContact O-CB 3.13Å; A230-W234 PolarHBondContact O-N 2.81Å; S231-W234 CarbonylContact O-C 3.59Å; S231-W234 WeakPolarHBondContact O-CB 2.97Å; S231-W234 PolarHBondContact O-N 3.27Å; S231-W234 VanDerWaalsContact O-N 3.11Å; I232-W234 VanDerWaalsContact C-N 3.29Å; I232-W234 PolarHBondContact O-N 3.15Å; W234-V236 PolarHBondContact O-N 2.71Å; W234-W237 PolarHBondContact O-N 2.82Å; W234-S238 WeakPolarHBondContact O-CA 3.39Å; W234-S238 WeakPolarHBondContact O-CB 3.41Å; W234-S238 PolarHBondContact O-N 2.91Å; W234-Y257 HydrophobicContact CH2-CD1 4.32Å; W234-Y257 AromaticContact CH2-CE1 3.93Å; W234-Y257 HydrophobicContact CH2-CE1 3.93Å; W234-Y257 AromaticContact CZ3-CD1 3.87Å; W234-Y257 HydrophobicContact CZ3-CD1 3.87Å; W234-Y257 AromaticContact CZ3-CE1 3.73Å; W234-Y257 HydrophobicContact CZ3-CE1 3.73Å; W234-Y260 HydrophobicContact CE3-CD2 4.26Å; W234-Y260 HydrophobicContact CE3-CE2 4.42Å; W234-Y260 HydrophobicContact CH2-CD2 4.37Å; W234-Y260 HydrophobicContact CH2-CE2 4.24Å; W234-Y260 AromaticContact CZ3-CD2 3.75Å; W234-Y260 HydrophobicContact CZ3-CD2 3.75Å; W234-Y260 AromaticContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CG 4.45Å |
| 235 | L | 92.2 | Very high | 88.4 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.4 | -70.6 | 175.7 | 0 | 0 | 0 | 112.3 | S231 I232 S238 S239 Y257 D264 | S231-L235 WeakPolarHBondContact O-CG 3.22Å; S231-L235 PolarHBondContact O-N 2.95Å; I232-L235 PolarHBondContact O-N 2.66Å; L235-S238 PolarHBondContact O-N 3.27Å; L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.2Å; L235-S239 PolarHBondContact O-OG 2.9Å; L235-Y257 HydrophobicContact CD2-CD1 3.59Å; L235-Y257 HydrophobicContact CD2-CE1 4.2Å; L235-D264 VanDerWaalsContact CD1-OD2 3.29Å; L235-D264 WeakPolarHBondContact CD1-OD2 3.45Å |
| 236 | V | 92 | Very high | 87.1 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -54.5 | 175.2 | 169 | 0 | 0 | 0 | 0 | 110.3 | I232 W234 S238 S239 F240 | I232-V236 HydrophobicContact CG2-CG2 4.15Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG2 3.23Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.42Å; W234-V236 PolarHBondContact O-N 2.71Å; V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; V236-S239 PolarHBondContact O-N 3.23Å; V236-S239 PolarHBondContact O-OG 2.91Å; V236-F240 HydrophobicContact CG1-CD2 3.84Å; V236-F240 HydrophobicContact CG1-CE2 4.05Å; V236-F240 VanDerWaalsContact O-CD2 3.23Å; V236-F240 WeakPolarHBondContact O-CD2 3.46Å; V236-F240 PolarHBondContact O-N 3.23Å |
| 237 | W | 91.2 | Very high | 85.6 | Confident | 191 Ų | 191 | 85.5 Ų | 85.5 | 72% | 0.723 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -56.5 | -46.5 | 176 | 176.3 | -94.2 | 0 | 0 | 0 | 112.6 | S233 W234 S239 F240 S241 | S233-W237 WeakPolarHBondContact O-CB 3.25Å; S233-W237 PolarHBondContact O-N 2.89Å; W234-W237 PolarHBondContact O-N 2.82Å; W237-S239 VanDerWaalsContact C-N 3.28Å; W237-S239 PolarHBondContact O-N 3.22Å; W237-F240 PolarHBondContact O-N 3.14Å; W237-S241 WeakPolarHBondContact O-CB 3.5Å; W237-S241 PolarHBondContact O-N 2.87Å; W237-S241 VanDerWaalsContact O-N 3.1Å |
| 238 | S | 88.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 83.6 Ų | 83.6 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -69.6 | -22 | -176.8 | -167.8 | 0 | 0 | 0 | 0 | 112.5 | W234 L235 V236 R248 Y257 | W234-S238 WeakPolarHBondContact O-CA 3.39Å; W234-S238 WeakPolarHBondContact O-CB 3.41Å; W234-S238 PolarHBondContact O-N 2.91Å; L235-S238 PolarHBondContact O-N 3.27Å; V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; S238-R248 PolarHBondContact O-NE 2.84Å; S238-R248 PolarHBondContact O-NH2 3.23Å; S238-Y257 PolarHBondContact O-OH 2.99Å; S238-Y257 WeakPolarHBondContact OG-CE1 3.48Å; S238-Y257 PolarHBondContact OG-OH 3.49Å |
| 239 | S | 85.3 | Confident | 83.4 | Confident | 64 Ų | 64 | 89.7 Ų | 89.7 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -86.7 | -40.1 | 172.3 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | L235 V236 W237 R248 | L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.2Å; L235-S239 PolarHBondContact O-OG 2.9Å; V236-S239 PolarHBondContact O-N 3.23Å; V236-S239 PolarHBondContact O-OG 2.91Å; W237-S239 VanDerWaalsContact C-N 3.28Å; W237-S239 PolarHBondContact O-N 3.22Å; S239-R248 VanDerWaalsContact O-CZ 3.22Å; S239-R248 PolarHBondContact O-NH2 2.97Å |
| 240 | F | 85.1 | Confident | 83 | Confident | 162 Ų | 162 | 88.5 Ų | 88.5 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -83.4 | -23.6 | -174.5 | -75.6 | -69.6 | 0 | 0 | 0 | 115.5 | V236 W237 P242 | V236-F240 HydrophobicContact CG1-CD2 3.84Å; V236-F240 HydrophobicContact CG1-CE2 4.05Å; V236-F240 VanDerWaalsContact O-CD2 3.23Å; V236-F240 WeakPolarHBondContact O-CD2 3.46Å; V236-F240 PolarHBondContact O-N 3.23Å; W237-F240 PolarHBondContact O-N 3.14Å; F240-P242 VanDerWaalsContact O-CD 3.27Å; F240-P242 WeakPolarHBondContact O-CD 3.41Å |
| 241 | S | 86.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 91.4 Ų | 91.4 | 22% | 0.217 | 46% | 0.457 | C | S | . | . | trans | -61.3 | 117.7 | -174.4 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | W237 S243 R248 | W237-S241 WeakPolarHBondContact O-CB 3.5Å; W237-S241 PolarHBondContact O-N 2.87Å; W237-S241 VanDerWaalsContact O-N 3.1Å; S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.32Å; S241-R248 VanDerWaalsContact O-CZ 3.26Å; S241-R248 PolarHBondContact O-NH1 3.5Å; S241-R248 PolarHBondContact O-NH2 2.86Å | ||
| 242 | P | 76.3 | Confident | 82.1 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 67% | 0.669 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -64.4 | -31.5 | -175.4 | -25.3 | 36 | 0 | 0 | 0 | 114 | F240 A244 R245 | F240-P242 VanDerWaalsContact O-CD 3.27Å; F240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-A244 VanDerWaalsContact C-N 3.27Å; P242-A244 PolarHBondContact O-N 3.42Å; P242-R245 WeakPolarHBondContact O-CG 3.37Å; P242-R245 PolarHBondContact O-N 3Å |
| 243 | S | 70.9 | Confident | 81.7 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 81% | 0.811 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -66.9 | -23.4 | -173.2 | -48 | 0 | 0 | 0 | 0 | 114.2 | S241 | S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.32Å |
| 244 | A | 61.7 | Low | 81.3 | Confident | 29 Ų | 29 | 99 Ų | 99 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -99.3 | 8.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P242 W246 Q247 R248 | P242-A244 VanDerWaalsContact C-N 3.27Å; P242-A244 PolarHBondContact O-N 3.42Å; A244-W246 VanDerWaalsContact C-N 3.28Å; A244-W246 PolarHBondContact O-N 2.8Å; A244-W246 VanDerWaalsContact O-N 3.15Å; A244-Q247 PolarHBondContact O-N 3.09Å; A244-R248 PolarHBondContact O-N 3.03Å |
| 245 | R | 68.4 | Low | 81.3 | Confident | 156 Ų | 156 | 99.5 Ų | 99.5 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.7 | -169.2 | 68.3 | -174.4 | -171.4 | 143.6 | 0.8 | 115.4 | P242 | P242-R245 WeakPolarHBondContact O-CG 3.37Å; P242-R245 PolarHBondContact O-N 3Å |
| 246 | W | 68.4 | Low | 81.2 | Confident | 179 Ų | 179 | 99.4 Ų | 99.4 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -34.6 | 177.4 | -56.8 | 116.3 | 0 | 0 | 0 | 112.4 | A244 R248 Q249 | A244-W246 VanDerWaalsContact C-N 3.28Å; A244-W246 PolarHBondContact O-N 2.8Å; A244-W246 VanDerWaalsContact O-N 3.15Å; W246-R248 VanDerWaalsContact C-N 3.28Å; W246-R248 PolarHBondContact O-N 2.78Å; W246-Q249 PolarHBondContact O-N 2.81Å |
| 247 | Q | 65.3 | Low | 81.2 | Confident | 103 Ų | 103 | 98.6 Ų | 98.6 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -74.6 | -15.8 | -178.5 | -167 | 176.4 | -43.2 | 0 | 0 | 113.1 | A244 Q249 F253 | A244-Q247 PolarHBondContact O-N 3.09Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q247-F253 HydrophobicContact CG-CD2 3.94Å; Q247-F253 HydrophobicContact CG-CE2 3.57Å; Q247-F253 HydrophobicContact CG-CZ 4.08Å; Q247-F253 VanDerWaalsContact O-CD2 3.29Å; Q247-F253 WeakPolarHBondContact O-CD2 3.4Å |
| 248 | R | 70.3 | Confident | 81.3 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 21% | 0.208 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -74.5 | -17.8 | 175.4 | -69.8 | 179.8 | -174.8 | 107.6 | 14.1 | 114.3 | S238 S239 S241 A244 W246 D250 Y257 | S238-R248 PolarHBondContact O-NE 2.84Å; S238-R248 PolarHBondContact O-NH2 3.23Å; S239-R248 VanDerWaalsContact O-CZ 3.22Å; S239-R248 PolarHBondContact O-NH2 2.97Å; S241-R248 VanDerWaalsContact O-CZ 3.26Å; S241-R248 PolarHBondContact O-NH1 3.5Å; S241-R248 PolarHBondContact O-NH2 2.86Å; A244-R248 PolarHBondContact O-N 3.03Å; W246-R248 VanDerWaalsContact C-N 3.28Å; W246-R248 PolarHBondContact O-N 2.78Å; R248-D250 VanDerWaalsContact C-N 3.34Å; R248-Y257 HydrophobicContact CG-CE2 4.45Å |
| 249 | Q | 76.8 | Confident | 81.6 | Confident | 150 Ų | 150 | 95.2 Ų | 95.2 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -87.1 | -7.7 | 179.1 | -71.3 | 177.7 | -55.5 | 0 | 0 | 112.5 | W246 Q247 L251 | W246-Q249 PolarHBondContact O-N 2.81Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q249-L251 PolarHBondContact O-N 3.04Å |
| 250 | D | 87 | Confident | 82.1 | Confident | 87 Ų | 87 | 95.9 Ų | 95.9 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -67.7 | 129 | 170.6 | -74 | -38.7 | 0 | 0 | 0 | 110.8 | R248 L252 F253 Q254 | R248-D250 VanDerWaalsContact C-N 3.34Å; D250-L252 PolarHBondContact O-N 3.41Å; D250-L252 VanDerWaalsContact O-N 3.08Å; D250-F253 HydrophobicContact CB-CD2 4.03Å; D250-F253 PolarHBondContact O-N 3.32Å; D250-Q254 PolarHBondContact O-N 3.27Å |
| 251 | L | 86.9 | Confident | 82.5 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -52.8 | -34.4 | -178.9 | -179.5 | 62.1 | 0 | 0 | 0 | 112.9 | Q249 Q254 I255 | Q249-L251 PolarHBondContact O-N 3.04Å; L251-Q254 PolarHBondContact O-N 3.27Å; L251-I255 HydrophobicContact CD1-CD1 4.24Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 3.92Å; L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.23Å |
| 252 | L | 87.9 | Confident | 83 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -47.3 | 177.9 | -167.3 | 160.4 | 0 | 0 | 0 | 111.5 | D250 Q254 I255 C256 | D250-L252 PolarHBondContact O-N 3.41Å; D250-L252 VanDerWaalsContact O-N 3.08Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.07Å; L252-I255 PolarHBondContact O-N 3.25Å; L252-C256 PolarHBondContact O-N 3.36Å; L252-C256 PolarHBondContact O-SG 3.5Å; L252-C256 VanDerWaalsContact O-SG 3.35Å |
| 253 | F | 86.7 | Confident | 83.9 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 178 | -76.6 | -80.6 | 0 | 0 | 0 | 111.7 | Q247 D250 C256 Y257 | Q247-F253 HydrophobicContact CG-CD2 3.94Å; Q247-F253 HydrophobicContact CG-CE2 3.57Å; Q247-F253 HydrophobicContact CG-CZ 4.08Å; Q247-F253 VanDerWaalsContact O-CD2 3.29Å; Q247-F253 WeakPolarHBondContact O-CD2 3.4Å; D250-F253 HydrophobicContact CB-CD2 4.03Å; D250-F253 PolarHBondContact O-N 3.32Å; F253-C256 PolarHBondContact O-N 2.98Å; F253-Y257 HydrophobicContact CB-CE2 4.4Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; F253-Y257 PolarHBondContact O-N 3.32Å |
| 254 | Q | 88 | Confident | 85.1 | Confident | 125 Ų | 125 | 88 Ų | 88 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 174.1 | -169 | 174.5 | -7.4 | 0 | 0 | 112.4 | D250 L251 L252 Y257 G258 | D250-Q254 PolarHBondContact O-N 3.27Å; L251-Q254 PolarHBondContact O-N 3.27Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.07Å; Q254-Y257 PolarHBondContact O-N 3.22Å; Q254-G258 PolarHBondContact O-N 2.97Å |
| 255 | I | 92.1 | Very high | 86.8 | Confident | 108 Ų | 108 | 91.1 Ų | 91.1 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 172.9 | -69.7 | 165.2 | 0 | 0 | 0 | 110.7 | L251 L252 Y257 G258 M259 | L251-I255 HydrophobicContact CD1-CD1 4.24Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 3.92Å; L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.23Å; L252-I255 PolarHBondContact O-N 3.25Å; I255-Y257 PolarHBondContact O-N 3.22Å; I255-G258 PolarHBondContact O-N 3.48Å; I255-M259 PolarHBondContact O-N 3.4Å |
| 256 | C | 90.9 | Very high | 88.1 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | L252 F253 G258 M259 Y260 | L252-C256 PolarHBondContact O-N 3.36Å; L252-C256 PolarHBondContact O-SG 3.5Å; L252-C256 VanDerWaalsContact O-SG 3.35Å; F253-C256 PolarHBondContact O-N 2.98Å; C256-G258 VanDerWaalsContact C-N 3.34Å; C256-G258 PolarHBondContact O-N 3.04Å; C256-M259 PolarHBondContact O-N 3.47Å; C256-Y260 VanDerWaalsContact O-CD2 3.22Å; C256-Y260 WeakPolarHBondContact O-CD2 3.25Å; C256-Y260 PolarHBondContact O-N 3.25Å |
| 257 | Y | 92.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.3 | -67 | -47.1 | 0 | 0 | 0 | 112.4 | W234 L235 S238 R248 F253 Q254 I255 Y260 G261 | W234-Y257 HydrophobicContact CH2-CD1 4.32Å; W234-Y257 AromaticContact CH2-CE1 3.93Å; W234-Y257 HydrophobicContact CH2-CE1 3.93Å; W234-Y257 AromaticContact CZ3-CD1 3.87Å; W234-Y257 HydrophobicContact CZ3-CD1 3.87Å; W234-Y257 AromaticContact CZ3-CE1 3.73Å; W234-Y257 HydrophobicContact CZ3-CE1 3.73Å; L235-Y257 HydrophobicContact CD2-CD1 3.59Å; L235-Y257 HydrophobicContact CD2-CE1 4.2Å; S238-Y257 PolarHBondContact O-OH 2.99Å; S238-Y257 WeakPolarHBondContact OG-CE1 3.48Å; S238-Y257 PolarHBondContact OG-OH 3.49Å; R248-Y257 HydrophobicContact CG-CE2 4.45Å; F253-Y257 HydrophobicContact CB-CE2 4.4Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; F253-Y257 PolarHBondContact O-N 3.32Å; Q254-Y257 PolarHBondContact O-N 3.22Å; I255-Y257 PolarHBondContact O-N 3.22Å; Y257-Y260 PolarHBondContact O-N 3.06Å; Y257-G261 PolarHBondContact O-N 3.42Å |
| 258 | G | 92.9 | Very high | 90.9 | Very high | 48 Ų | 48 | 77.9 Ų | 77.9 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q254 I255 C256 F262 | Q254-G258 PolarHBondContact O-N 2.97Å; I255-G258 PolarHBondContact O-N 3.48Å; C256-G258 VanDerWaalsContact C-N 3.34Å; C256-G258 PolarHBondContact O-N 3.04Å; G258-F262 WeakPolarHBondContact O-CB 3.31Å; G258-F262 PolarHBondContact O-N 3Å |
| 259 | M | 95 | Very high | 92.2 | Very high | 91 Ų | 91 | 78 Ų | 78 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 176.1 | -175.5 | -163.1 | 72.8 | 0 | 0 | 112.1 | I255 C256 F262 M263 | I255-M259 PolarHBondContact O-N 3.4Å; C256-M259 PolarHBondContact O-N 3.47Å; M259-F262 PolarHBondContact O-N 3.39Å; M259-M263 WeakPolarHBondContact O-CG 3.28Å; M259-M263 PolarHBondContact O-N 3.21Å |
| 260 | Y | 94.2 | Very high | 93 | Very high | 79 Ų | 79 | 75.5 Ų | 75.5 | 31% | 0.31 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.4 | -81.5 | -70.6 | 0 | 0 | 0 | 111.6 | W234 C256 Y257 F262 M263 D264 | W234-Y260 HydrophobicContact CE3-CD2 4.26Å; W234-Y260 HydrophobicContact CE3-CE2 4.42Å; W234-Y260 HydrophobicContact CH2-CD2 4.37Å; W234-Y260 HydrophobicContact CH2-CE2 4.24Å; W234-Y260 AromaticContact CZ3-CD2 3.75Å; W234-Y260 HydrophobicContact CZ3-CD2 3.75Å; W234-Y260 AromaticContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CG 4.45Å; C256-Y260 VanDerWaalsContact O-CD2 3.22Å; C256-Y260 WeakPolarHBondContact O-CD2 3.25Å; C256-Y260 PolarHBondContact O-N 3.25Å; Y257-Y260 PolarHBondContact O-N 3.06Å; Y260-F262 VanDerWaalsContact C-N 3.32Å; Y260-F262 PolarHBondContact O-N 3.25Å; Y260-M263 PolarHBondContact O-N 2.9Å; Y260-D264 VanDerWaalsContact O-CG 3.3Å; Y260-D264 PolarHBondContact O-N 3.47Å |
| 261 | G | 94.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 73.7 Ų | 73.7 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y257 D264 V265 | Y257-G261 PolarHBondContact O-N 3.42Å; G261-D264 PolarHBondContact O-N 3.46Å; G261-V265 WeakPolarHBondContact O-CG2 3.44Å; G261-V265 PolarHBondContact O-N 2.84Å |
| 262 | F | 96.3 | Very high | 93.8 | Very high | 128 Ų | 128 | 72.6 Ų | 72.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 172.9 | 174.4 | -98.4 | 0 | 0 | 0 | 112.1 | G258 M259 Y260 D264 V265 V266 | G258-F262 WeakPolarHBondContact O-CB 3.31Å; G258-F262 PolarHBondContact O-N 3Å; M259-F262 PolarHBondContact O-N 3.39Å; Y260-F262 VanDerWaalsContact C-N 3.32Å; Y260-F262 PolarHBondContact O-N 3.25Å; F262-D264 VanDerWaalsContact C-N 3.32Å; F262-D264 PolarHBondContact O-N 2.94Å; F262-V265 PolarHBondContact O-N 2.88Å; F262-V266 HydrophobicContact CD1-CG2 4.4Å; F262-V266 HydrophobicContact CE1-CG2 3.91Å; F262-V266 HydrophobicContact CE2-CG2 4.26Å; F262-V266 HydrophobicContact CZ-CG2 3.83Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.04Å |
| 263 | M | 95.2 | Very high | 94.1 | Very high | 81 Ų | 81 | 73.7 Ų | 73.7 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177 | -67 | -63 | 165.6 | 0 | 0 | 111.7 | F227 M259 Y260 V266 C267 | F227-M263 HydrophobicContact CE1-CB 4.2Å; F227-M263 HydrophobicContact CZ-CB 4.44Å; M259-M263 WeakPolarHBondContact O-CG 3.28Å; M259-M263 PolarHBondContact O-N 3.21Å; Y260-M263 PolarHBondContact O-N 2.9Å; M263-V266 PolarHBondContact O-N 3.3Å; M263-C267 PolarHBondContact O-N 3.33Å; M263-C267 PolarHBondContact O-SG 2.92Å; M263-C267 VanDerWaalsContact O-SG 3.39Å |
| 264 | D | 96.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 174.3 | -70.6 | -16.4 | 0 | 0 | 0 | 111.6 | S231 L235 Y260 G261 F262 V266 C267 I268 | S231-D264 WeakPolarHBondContact CB-OD1 3.41Å; S231-D264 VanDerWaalsContact OG-CG 3.23Å; S231-D264 PolarHBondContact OG-OD1 3.23Å; S231-D264 PolarHBondContact OG-OD2 3.36Å; L235-D264 VanDerWaalsContact CD1-OD2 3.29Å; L235-D264 WeakPolarHBondContact CD1-OD2 3.45Å; Y260-D264 VanDerWaalsContact O-CG 3.3Å; Y260-D264 PolarHBondContact O-N 3.47Å; G261-D264 PolarHBondContact O-N 3.46Å; F262-D264 VanDerWaalsContact C-N 3.32Å; F262-D264 PolarHBondContact O-N 2.94Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.48Å; D264-C267 PolarHBondContact O-N 3.38Å; D264-I268 VanDerWaalsContact O-CG1 3.28Å; D264-I268 WeakPolarHBondContact O-CG1 3.46Å; D264-I268 PolarHBondContact O-N 3.35Å |
| 265 | V | 97 | Very high | 94.7 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 56% | 0.564 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | G261 F262 I268 A269 | G261-V265 WeakPolarHBondContact O-CG2 3.44Å; G261-V265 PolarHBondContact O-N 2.84Å; F262-V265 PolarHBondContact O-N 2.88Å; V265-I268 PolarHBondContact O-N 3.16Å; V265-A269 WeakPolarHBondContact O-CB 3.41Å; V265-A269 PolarHBondContact O-N 3.05Å |
| 266 | V | 96.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F262 M263 D264 A269 L270 | F262-V266 HydrophobicContact CD1-CG2 4.4Å; F262-V266 HydrophobicContact CE1-CG2 3.91Å; F262-V266 HydrophobicContact CE2-CG2 4.26Å; F262-V266 HydrophobicContact CZ-CG2 3.83Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.04Å; M263-V266 PolarHBondContact O-N 3.3Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.48Å; V266-A269 PolarHBondContact O-N 3.03Å; V266-L270 HydrophobicContact CG1-CD1 4.24Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.87Å |
| 267 | C | 96.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.5 | -72 | 0 | 0 | 0 | 0 | 112.7 | F227 L228 M263 D264 L270 I271 | F227-C267 VanDerWaalsContact CD1-SG 3.53Å; L228-C267 HydrophobicContact CB-CB 4.3Å; L228-C267 HydrophobicContact CD1-CB 4.22Å; M263-C267 PolarHBondContact O-N 3.33Å; M263-C267 PolarHBondContact O-SG 2.92Å; M263-C267 VanDerWaalsContact O-SG 3.39Å; D264-C267 PolarHBondContact O-N 3.38Å; C267-L270 PolarHBondContact O-N 3.5Å; C267-I271 WeakPolarHBondContact O-CB 3.41Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.93Å |
| 268 | I | 96.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 172.4 | -67.9 | 166.1 | 0 | 0 | 0 | 110.2 | L228 D264 V265 L270 I271 V272 | L228-I268 HydrophobicContact CD1-CD1 4.27Å; L228-I268 HydrophobicContact CD1-CG1 3.42Å; L228-I268 VanDerWaalsContact CD1-CG1 3.42Å; D264-I268 VanDerWaalsContact O-CG1 3.28Å; D264-I268 WeakPolarHBondContact O-CG1 3.46Å; D264-I268 PolarHBondContact O-N 3.35Å; V265-I268 PolarHBondContact O-N 3.16Å; I268-L270 VanDerWaalsContact C-N 3.34Å; I268-L270 PolarHBondContact O-N 3.3Å; I268-I271 PolarHBondContact O-N 2.94Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.41Å; I268-V272 PolarHBondContact O-N 3.08Å |
| 269 | A | 95.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 68.7 Ų | 68.7 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | V265 V266 V272 H273 | V265-A269 WeakPolarHBondContact O-CB 3.41Å; V265-A269 PolarHBondContact O-N 3.05Å; V266-A269 PolarHBondContact O-N 3.03Å; A269-V272 PolarHBondContact O-N 3.3Å; A269-H273 VanDerWaalsContact O-CB 3.3Å; A269-H273 WeakPolarHBondContact O-CB 3.48Å; A269-H273 PolarHBondContact O-N 3Å |
| 270 | L | 93.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 71 Ų | 71 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 173.9 | -66.7 | 171.2 | 0 | 0 | 0 | 112 | V266 C267 I268 V272 H273 E274 | V266-L270 HydrophobicContact CG1-CD1 4.24Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.87Å; C267-L270 PolarHBondContact O-N 3.5Å; I268-L270 VanDerWaalsContact C-N 3.34Å; I268-L270 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3.26Å; L270-H273 PolarHBondContact O-N 3.47Å; L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.37Å |
| 271 | I | 95.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 177.4 | -69 | 162.5 | 0 | 0 | 0 | 111.4 | L228 C267 I268 G275 | L228-I271 HydrophobicContact CD1-CD1 4.12Å; C267-I271 WeakPolarHBondContact O-CB 3.41Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.93Å; I268-I271 PolarHBondContact O-N 2.94Å; I271-G275 VanDerWaalsContact O-CA 3.22Å; I271-G275 WeakPolarHBondContact O-CA 3.4Å; I271-G275 PolarHBondContact O-N 3.39Å |
| 272 | V | 96.1 | Very high | 94.4 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.606 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.3 | -37.6 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | I268 A269 L270 P276 | I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.41Å; I268-V272 PolarHBondContact O-N 3.08Å; A269-V272 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3.26Å; V272-P276 WeakPolarHBondContact O-CD 3.34Å |
| 273 | H | 94.7 | Very high | 94 | Very high | 139 Ų | 139 | 69.6 Ų | 69.6 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.5 | -44.1 | 179.2 | 176.5 | -95.9 | 0 | 0 | 0 | 112.5 | A269 L270 P276 | A269-H273 VanDerWaalsContact O-CB 3.3Å; A269-H273 WeakPolarHBondContact O-CB 3.48Å; A269-H273 PolarHBondContact O-N 3Å; L270-H273 PolarHBondContact O-N 3.47Å; H273-P276 WeakPolarHBondContact O-CD 3.26Å |
| 274 | E | 93.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.9 | -25.2 | 177.1 | -82.5 | 41.3 | -120.8 | 0 | 0 | 112.8 | L270 S277 V278 | L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.37Å; E274-S277 WeakPolarHBondContact O-CB 3.24Å; E274-S277 PolarHBondContact O-N 3.45Å; E274-V278 PolarHBondContact O-N 3.43Å |
| 275 | G | 93 | Very high | 93.5 | Very high | 27 Ų | 27 | 71.8 Ų | 71.8 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -49.9 | -48.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I271 S277 V278 F279 | I271-G275 VanDerWaalsContact O-CA 3.22Å; I271-G275 WeakPolarHBondContact O-CA 3.4Å; I271-G275 PolarHBondContact O-N 3.39Å; G275-S277 PolarHBondContact O-N 3.22Å; G275-V278 PolarHBondContact O-N 3.48Å; G275-F279 VanDerWaalsContact O-CB 3.25Å; G275-F279 WeakPolarHBondContact O-CB 3.29Å; G275-F279 PolarHBondContact O-N 3.36Å |
| 276 | P | 94.4 | Very high | 93 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.1 | -32.2 | 175.2 | -28.7 | 35.3 | 0 | 0 | 0 | 114.2 | V272 H273 R280 | V272-P276 WeakPolarHBondContact O-CD 3.34Å; H273-P276 WeakPolarHBondContact O-CD 3.26Å; P276-R280 WeakPolarHBondContact O-CB 3.27Å; P276-R280 PolarHBondContact O-N 2.87Å |
| 277 | S | 92.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.6 | -55.9 | 174.5 | -155.5 | 0 | 0 | 0 | 0 | 110 | Q217 E274 G275 F279 R280 I281 | Q217-S277 PolarHBondContact OE1-OG 3.23Å; E274-S277 WeakPolarHBondContact O-CB 3.24Å; E274-S277 PolarHBondContact O-N 3.45Å; G275-S277 PolarHBondContact O-N 3.22Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.93Å; S277-R280 WeakPolarHBondContact O-CB 3Å; S277-R280 PolarHBondContact O-N 3.36Å; S277-R280 PolarHBondContact OG-NH2 2.87Å; S277-I281 WeakPolarHBondContact O-CD1 3.4Å; S277-I281 PolarHBondContact O-N 2.82Å; S277-I281 VanDerWaalsContact O-N 3.14Å |
| 278 | V | 93.1 | Very high | 92 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.9 | -41 | -179.7 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | I218 A221 E274 G275 R280 I281 F282 | I218-V278 HydrophobicContact CG1-CG1 4.31Å; I218-V278 HydrophobicContact CG1-CG2 4.11Å; A221-V278 HydrophobicContact CB-CG2 3.97Å; E274-V278 PolarHBondContact O-N 3.43Å; G275-V278 PolarHBondContact O-N 3.48Å; V278-R280 PolarHBondContact O-N 2.9Å; V278-I281 PolarHBondContact O-N 3.5Å; V278-F282 PolarHBondContact O-N 2.95Å |
| 279 | F | 92.1 | Very high | 91.6 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 176.5 | -174.5 | -107.4 | 0 | 0 | 0 | 113 | G275 S277 F282 H283 | G275-F279 VanDerWaalsContact O-CB 3.25Å; G275-F279 WeakPolarHBondContact O-CB 3.29Å; G275-F279 PolarHBondContact O-N 3.36Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.93Å; F279-F282 PolarHBondContact O-N 2.68Å; F279-H283 AromaticContact CD1-CD2 3.85Å; F279-H283 AromaticContact CE1-CD2 3.36Å; F279-H283 WeakPolarHBondContact CE1-CD2 3.44Å; F279-H283 AromaticContact CE1-NE2 3.44Å; F279-H283 WeakPolarHBondContact CE1-NE2 3.43Å; F279-H283 AromaticContact CE2-CD2 3.93Å; F279-H283 AromaticContact CE2-NE2 3.78Å; F279-H283 AromaticContact CZ-CD2 3.42Å; F279-H283 VanDerWaalsContact CZ-CD2 3.42Å; F279-H283 WeakPolarHBondContact CZ-CD2 3.34Å; F279-H283 AromaticContact CZ-NE2 3.09Å; F279-H283 WeakPolarHBondContact CZ-NE2 3.49Å; F279-H283 PolarHBondContact O-N 2.97Å |
| 280 | R | 92.3 | Very high | 91.2 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 53% | 0.525 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.4 | -174.7 | -178.6 | 64.5 | -108 | -10.6 | 111.8 | P276 S277 V278 R284 | P276-R280 WeakPolarHBondContact O-CB 3.27Å; P276-R280 PolarHBondContact O-N 2.87Å; S277-R280 WeakPolarHBondContact O-CB 3Å; S277-R280 PolarHBondContact O-N 3.36Å; S277-R280 PolarHBondContact OG-NH2 2.87Å; V278-R280 PolarHBondContact O-N 2.9Å; R280-R284 PolarHBondContact O-N 3.05Å |
| 281 | I | 92.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 173.9 | -74.6 | 76.4 | 0 | 0 | 0 | 110 | L210 E214 I218 S277 V278 H283 R284 W285 | L210-I281 HydrophobicContact CD2-CG1 4.47Å; L210-I281 HydrophobicContact CD2-CG2 3.71Å; E214-I281 HydrophobicContact CB-CD1 4.29Å; E214-I281 HydrophobicContact CB-CG1 4.16Å; E214-I281 HydrophobicContact CG-CD1 3.88Å; E214-I281 HydrophobicContact CG-CG1 4.03Å; I218-I281 HydrophobicContact CD1-CG2 4.06Å; S277-I281 WeakPolarHBondContact O-CD1 3.4Å; S277-I281 PolarHBondContact O-N 2.82Å; S277-I281 VanDerWaalsContact O-N 3.14Å; V278-I281 PolarHBondContact O-N 3.5Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.24Å; I281-R284 WeakPolarHBondContact O-CB 3.47Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.1Å; I281-W285 PolarHBondContact O-N 3.37Å |
| 282 | F | 89.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 178.6 | -178.7 | -99.7 | 0 | 0 | 0 | 111.9 | V278 F279 R284 W285 Q286 | V278-F282 PolarHBondContact O-N 2.95Å; F279-F282 PolarHBondContact O-N 2.68Å; F282-R284 PolarHBondContact O-N 3.29Å; F282-W285 HydrophobicContact CD2-CE3 4.11Å; F282-W285 HydrophobicContact CD2-CZ3 4.5Å; F282-W285 AromaticContact CE2-CE3 3.86Å; F282-W285 HydrophobicContact CE2-CE3 3.86Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CZ-CE3 4.46Å; F282-W285 HydrophobicContact CZ-CZ3 4.22Å; F282-W285 PolarHBondContact O-N 3.17Å; F282-Q286 VanDerWaalsContact O-CB 3.3Å; F282-Q286 WeakPolarHBondContact O-CB 3.39Å; F282-Q286 PolarHBondContact O-N 2.97Å |
| 283 | H | 89.4 | Confident | 89.8 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 173 | -94.4 | -67.5 | 0 | 0 | 0 | 113.1 | F279 I281 Q286 A287 | F279-H283 AromaticContact CD1-CD2 3.85Å; F279-H283 AromaticContact CE1-CD2 3.36Å; F279-H283 WeakPolarHBondContact CE1-CD2 3.44Å; F279-H283 AromaticContact CE1-NE2 3.44Å; F279-H283 WeakPolarHBondContact CE1-NE2 3.43Å; F279-H283 AromaticContact CE2-CD2 3.93Å; F279-H283 AromaticContact CE2-NE2 3.78Å; F279-H283 AromaticContact CZ-CD2 3.42Å; F279-H283 VanDerWaalsContact CZ-CD2 3.42Å; F279-H283 WeakPolarHBondContact CZ-CD2 3.34Å; F279-H283 AromaticContact CZ-NE2 3.09Å; F279-H283 WeakPolarHBondContact CZ-NE2 3.49Å; F279-H283 PolarHBondContact O-N 2.97Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.24Å; H283-Q286 PolarHBondContact O-N 3.5Å; H283-A287 PolarHBondContact O-N 3.35Å |
| 284 | R | 90.4 | Very high | 89.6 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.2 | -158.9 | 179.9 | 67.3 | -138.7 | 7.4 | 111.4 | I208 S209 E214 R280 I281 F282 | I208-R284 HydrophobicContact CD1-CB 4.22Å; I208-R284 HydrophobicContact CD1-CG 3.56Å; S209-R284 PolarHBondContact O-NH2 3.43Å; E214-R284 IonicContact OE1-CZ 3.76Å; E214-R284 IonicContact OE1-NH1 3.64Å; E214-R284 PolarHBondContact OE1-NH1 3.4Å; E214-R284 IonicContact OE1-NH2 2.89Å; E214-R284 PolarHBondContact OE1-NH2 3.16Å; E214-R284 IonicContact OE2-CZ 3.62Å; E214-R284 IonicContact OE2-NH1 3.59Å; E214-R284 IonicContact OE2-NH2 2.79Å; E214-R284 PolarHBondContact OE2-NH2 3.07Å; R280-R284 PolarHBondContact O-N 3.05Å; I281-R284 WeakPolarHBondContact O-CB 3.47Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.1Å; F282-R284 PolarHBondContact O-N 3.29Å |
| 285 | W | 90 | Very high | 89.4 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.3 | 171.8 | 88.4 | 0 | 0 | 0 | 112.1 | W205 I281 F282 A287 V288 N289 | W205-W285 HydrophobicContact CD2-CH2 4.42Å; W205-W285 AromaticContact CD2-CZ2 3.65Å; W205-W285 HydrophobicContact CD2-CZ2 3.65Å; W205-W285 AromaticContact CE2-CZ2 3.79Å; W205-W285 AromaticContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CG-CZ2 4.13Å; W205-W285 HydrophobicContact CH2-CH2 4.35Å; W205-W285 HydrophobicContact CH2-CZ2 4.27Å; W205-W285 HydrophobicContact CZ2-CH2 4.09Å; W205-W285 HydrophobicContact CZ2-CZ2 4.12Å; W205-W285 HydrophobicContact CZ3-CZ2 4.13Å; I281-W285 PolarHBondContact O-N 3.37Å; F282-W285 HydrophobicContact CD2-CE3 4.11Å; F282-W285 HydrophobicContact CD2-CZ3 4.5Å; F282-W285 AromaticContact CE2-CE3 3.86Å; F282-W285 HydrophobicContact CE2-CE3 3.86Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CZ-CE3 4.46Å; F282-W285 HydrophobicContact CZ-CZ3 4.22Å; F282-W285 PolarHBondContact O-N 3.17Å; W285-A287 PolarHBondContact O-N 2.97Å; W285-V288 PolarHBondContact O-N 3.35Å; W285-N289 HydrophobicContact CD2-CB 4.36Å; W285-N289 HydrophobicContact CH2-CB 4.3Å; W285-N289 HydrophobicContact CZ2-CB 3.92Å; W285-N289 PolarHBondContact NE1-ND2 3.05Å; W285-N289 WeakPolarHBondContact O-CB 3.31Å; W285-N289 PolarHBondContact O-N 3.38Å; W285-N289 PolarHBondContact O-ND2 3.24Å |
| 286 | Q | 87.7 | Confident | 89.3 | Confident | 46 Ų | 46 | 66 Ų | 66 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | -179.9 | -174.1 | -179.7 | 28.5 | 0 | 0 | 110.6 | F282 H283 V288 N289 Q290 | F282-Q286 VanDerWaalsContact O-CB 3.3Å; F282-Q286 WeakPolarHBondContact O-CB 3.39Å; F282-Q286 PolarHBondContact O-N 2.97Å; H283-Q286 PolarHBondContact O-N 3.5Å; Q286-V288 PolarHBondContact O-N 3.3Å; Q286-V288 VanDerWaalsContact O-N 3.14Å; Q286-N289 CarbonylContact O-C 3.47Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.08Å; Q286-Q290 WeakPolarHBondContact O-CB 3.25Å; Q286-Q290 PolarHBondContact O-N 3.49Å |
| 287 | A | 85.9 | Confident | 89 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.7 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H283 W285 W292 | H283-A287 PolarHBondContact O-N 3.35Å; W285-A287 PolarHBondContact O-N 2.97Å; A287-W292 PolarHBondContact O-NE1 3.03Å |
| 288 | V | 85.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.2 | -31.3 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | K200 Q206 I208 W285 Q286 | K200-V288 PolarHBondContact NZ-O 2.97Å; Q206-V288 HydrophobicContact CB-CG1 3.88Å; Q206-V288 HydrophobicContact CG-CG1 4.25Å; I208-V288 HydrophobicContact CD1-CG2 4.11Å; W285-V288 PolarHBondContact O-N 3.35Å; Q286-V288 PolarHBondContact O-N 3.3Å; Q286-V288 VanDerWaalsContact O-N 3.14Å |
| 289 | N | 87.6 | Confident | 88 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -100.6 | -1.8 | -173.8 | -71.7 | -66 | 0 | 0 | 0 | 114.7 | T199 K200 W205 Q206 W285 Q286 | T199-N289 WeakPolarHBondContact CA-O 3.29Å; K200-N289 WeakPolarHBondContact CG-O 3.4Å; K200-N289 PolarHBondContact N-O 3.44Å; W205-N289 VanDerWaalsContact CA-OD1 3.25Å; W205-N289 WeakPolarHBondContact CA-OD1 3.37Å; Q206-N289 PolarHBondContact N-OD1 3.47Å; Q206-N289 PolarHBondContact O-ND2 3.5Å; W285-N289 HydrophobicContact CD2-CB 4.36Å; W285-N289 HydrophobicContact CH2-CB 4.3Å; W285-N289 HydrophobicContact CZ2-CB 3.92Å; W285-N289 PolarHBondContact NE1-ND2 3.05Å; W285-N289 WeakPolarHBondContact O-CB 3.31Å; W285-N289 PolarHBondContact O-N 3.38Å; W285-N289 PolarHBondContact O-ND2 3.24Å; Q286-N289 CarbonylContact O-C 3.47Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.08Å |
| 290 | Q | 86.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.1 | 173.4 | -167.3 | 155.8 | 45.2 | 0 | 0 | 110.7 | A196 Q286 W292 | A196-Q290 HydrophobicContact CB-CG 3.5Å; A196-Q290 VanDerWaalsContact CB-NE2 3.28Å; Q286-Q290 WeakPolarHBondContact O-CB 3.25Å; Q286-Q290 PolarHBondContact O-N 3.49Å; Q290-W292 HydrophobicContact CG-CZ2 4.45Å |
| 291 | Q | 82.2 | Confident | 86.2 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.4 | 173.3 | -63.9 | -174.6 | -66.1 | 0 | 0 | 109.4 | I197 S198 K200 | I197-Q291 PolarHBondContact N-O 2.85Å; S198-Q291 PolarHBondContact O-N 3.43Å; K200-Q291 HydrophobicContact CG-CG 3.56Å |
| 292 | W | 84.8 | Confident | 85.2 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.2 | 176.6 | -57 | 96.1 | 0 | 0 | 0 | 109.7 | Q170 I174 V194 I195 A196 A287 Q290 | Q170-W292 PolarHBondContact NE2-O 2.72Å; I174-W292 HydrophobicContact CD1-CB 4.3Å; V194-W292 HydrophobicContact CG1-CB 4.05Å; V194-W292 HydrophobicContact CG1-CE3 4.09Å; I195-W292 CarbonylContact O-C 3.55Å; I195-W292 WeakPolarHBondContact O-CA 3.46Å; A196-W292 HydrophobicContact CB-CE3 4.18Å; A196-W292 HydrophobicContact CB-CZ3 4.05Å; A287-W292 PolarHBondContact O-NE1 3.03Å; Q290-W292 HydrophobicContact CG-CZ2 4.45Å |
| 293 | K | 88.9 | Confident | 84.4 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129 | 170.1 | 176.1 | 166.6 | -177.4 | 168.7 | 0 | 110 | I195 I197 | I195-K293 HydrophobicContact CG1-CB 4.47Å; I195-K293 PolarHBondContact N-O 3.4Å; I195-K293 PolarHBondContact O-N 2.85Å; I197-K293 HydrophobicContact CD1-CB 3.6Å; I197-K293 HydrophobicContact CD1-CD 3.63Å; I197-K293 HydrophobicContact CD1-CG 4.23Å; I197-K293 HydrophobicContact CG1-CB 3.6Å; I197-K293 HydrophobicContact CG1-CD 4.38Å |
| 294 | V | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131 | 170.9 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | L156 P158 Q170 L173 I174 V194 | L156-V294 HydrophobicContact CD1-CB 4.25Å; L156-V294 HydrophobicContact CD1-CG1 3.95Å; L156-V294 HydrophobicContact CD2-CB 3.97Å; L156-V294 HydrophobicContact CD2-CG1 4.4Å; P158-V294 HydrophobicContact CB-CG1 3.67Å; Q170-V294 HydrophobicContact CG-CB 4.35Å; Q170-V294 HydrophobicContact CG-CG2 3.97Å; L173-V294 HydrophobicContact CD2-CB 4.36Å; L173-V294 HydrophobicContact CD2-CG1 3.55Å; L173-V294 HydrophobicContact CD2-CG2 3.93Å; I174-V294 HydrophobicContact CD1-CG2 3.74Å; I174-V294 HydrophobicContact CG1-CG2 4.06Å; V194-V294 HydrophobicContact CG2-CG2 4.22Å |
| 295 | L | 89.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 149.1 | 169.6 | -73 | 84.9 | 0 | 0 | 0 | 110 | Q193 I195 | Q193-L295 HydrophobicContact CB-CB 4.32Å; Q193-L295 HydrophobicContact CG-CB 4.46Å; Q193-L295 HydrophobicContact CG-CD1 4.14Å; Q193-L295 PolarHBondContact O-N 2.93Å; I195-L295 HydrophobicContact CB-CD1 4.25Å; I195-L295 HydrophobicContact CD1-CD1 3.85Å; I195-L295 HydrophobicContact CG1-CD1 3.66Å; I195-L295 HydrophobicContact CG2-CD1 3.74Å |
| 296 | N | 90.7 | Very high | 81.2 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 140.8 | 161.5 | -74 | -64.2 | 0 | 0 | 0 | 109.4 | L156 S157 D298 | L156-N296 VanDerWaalsContact CA-OD1 3.25Å; L156-N296 WeakPolarHBondContact CA-OD1 3.23Å; L156-N296 VanDerWaalsContact CB-OD1 3.25Å; L156-N296 WeakPolarHBondContact CB-OD1 3.23Å; S157-N296 PolarHBondContact N-OD1 3.18Å; N296-D298 PolarHBondContact O-N 3.02Å |
| 297 | Y | 88.8 | Confident | 80.2 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 124.2 | 166.8 | 168.2 | -106.1 | 0 | 0 | 0 | 109.1 | S157 R160 Y190 K299 | S157-Y297 WeakPolarHBondContact O-CB 3.35Å; S157-Y297 PolarHBondContact O-N 3.42Å; R160-Y297 HydrophobicContact CB-CE1 4.42Å; R160-Y297 HydrophobicContact CG-CD1 4.24Å; R160-Y297 HydrophobicContact CG-CD2 4.24Å; R160-Y297 HydrophobicContact CG-CE1 3.8Å; R160-Y297 HydrophobicContact CG-CE2 3.79Å; R160-Y297 HydrophobicContact CG-CG 4.45Å; Y190-Y297 HydrophobicContact CD1-CD2 4.28Å; Y190-Y297 HydrophobicContact CD2-CE2 4.47Å; Y190-Y297 AromaticContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CE2 4.45Å; Y190-Y297 HydrophobicContact CE1-CG 4.35Å; Y190-Y297 AromaticContact CE2-CD2 3.93Å; Y190-Y297 HydrophobicContact CE2-CD2 3.93Å; Y190-Y297 AromaticContact CE2-CE2 3.92Å; Y190-Y297 HydrophobicContact CE2-CE2 3.92Å; Y190-Y297 AromaticContact CZ-CD2 3.46Å; Y190-Y297 VanDerWaalsContact CZ-CD2 3.46Å; Y190-Y297 AromaticContact CZ-CE2 3.92Å; Y297-K299 HydrophobicContact CE1-CB 4.12Å |
| 298 | D | 85 | Confident | 79.3 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | trans | -107 | 130.4 | 168.9 | -171.9 | -8.8 | 0 | 0 | 0 | 109.1 | N296 S300 L301 | N296-D298 PolarHBondContact O-N 3.02Å; D298-S300 VanDerWaalsContact C-N 3.25Å; D298-S300 PolarHBondContact O-N 3.45Å; D298-S300 WeakPolarHBondContact OD1-CB 3.23Å; D298-S300 PolarHBondContact OD1-N 2.92Å; D298-S300 PolarHBondContact OD1-OG 2.88Å; D298-S300 VanDerWaalsContact OD1-OG 3.07Å; D298-S300 PolarHBondContact OD2-OG 3.11Å; D298-L301 HydrophobicContact CB-CD1 4.15Å; D298-L301 HydrophobicContact CB-CG 4.27Å | ||
| 299 | K | 79.8 | Confident | 78.3 | Confident | 157 Ų | 157 | 77.3 Ų | 77.3 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73.8 | -17 | 179.3 | -167.6 | -179.8 | 177.7 | -173 | 0 | 112.4 | Y297 S303 | Y297-K299 HydrophobicContact CE1-CB 4.12Å; K299-S303 PolarHBondContact O-OG 2.89Å |
| 300 | S | 74 | Confident | 77.5 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 175.9 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | D298 D302 S303 D304 | D298-S300 VanDerWaalsContact C-N 3.25Å; D298-S300 PolarHBondContact O-N 3.45Å; D298-S300 WeakPolarHBondContact OD1-CB 3.23Å; D298-S300 PolarHBondContact OD1-N 2.92Å; D298-S300 PolarHBondContact OD1-OG 2.88Å; D298-S300 VanDerWaalsContact OD1-OG 3.07Å; D298-S300 PolarHBondContact OD2-OG 3.11Å; S300-D302 PolarHBondContact O-N 2.81Å; S300-S303 WeakPolarHBondContact O-CA 3.38Å; S300-S303 VanDerWaalsContact O-CB 3.31Å; S300-S303 WeakPolarHBondContact O-CB 3.49Å; S300-S303 PolarHBondContact O-N 3.48Å; S300-D304 PolarHBondContact O-N 3Å |
| 301 | L | 72.4 | Confident | 76.6 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.3 | -43.8 | 179.9 | -63 | 172.5 | 0 | 0 | 0 | 112.1 | D298 S303 D304 D305 | D298-L301 HydrophobicContact CB-CD1 4.15Å; D298-L301 HydrophobicContact CB-CG 4.27Å; L301-S303 VanDerWaalsContact C-N 3.25Å; L301-S303 PolarHBondContact O-N 2.65Å; L301-D304 PolarHBondContact O-N 3.37Å; L301-D305 PolarHBondContact O-N 2.85Å |
| 302 | D | 70.6 | Confident | 75.5 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 19% | 0.193 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.5 | -34.2 | 178.2 | -121.6 | 75 | 0 | 0 | 0 | 114.1 | R160 S300 D304 L306 | R160-D302 IonicContact CZ-OD1 3.7Å; R160-D302 IonicContact CZ-OD2 3.09Å; R160-D302 IonicContact NE-OD1 3.81Å; R160-D302 IonicContact NH1-OD1 3.84Å; R160-D302 IonicContact NH1-OD2 3.66Å; R160-D302 PolarHBondContact NH1-OD2 3.43Å; R160-D302 IonicContact NH2-OD1 2.78Å; R160-D302 PolarHBondContact NH2-OD1 3.42Å; R160-D302 IonicContact NH2-OD2 2.61Å; R160-D302 PolarHBondContact NH2-OD2 3.27Å; S300-D302 PolarHBondContact O-N 2.81Å; D302-D304 VanDerWaalsContact C-N 3.32Å; D302-L306 WeakPolarHBondContact O-CB 3.22Å; D302-L306 PolarHBondContact O-N 3.4Å |
| 303 | S | 72.1 | Confident | 74.4 | Confident | 60 Ų | 60 | 89 Ų | 89 | 42% | 0.42 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.2 | -24.8 | 177.5 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | K299 S300 L301 K307 | K299-S303 PolarHBondContact O-OG 2.89Å; S300-S303 WeakPolarHBondContact O-CA 3.38Å; S300-S303 VanDerWaalsContact O-CB 3.31Å; S300-S303 WeakPolarHBondContact O-CB 3.49Å; S300-S303 PolarHBondContact O-N 3.48Å; L301-S303 VanDerWaalsContact C-N 3.25Å; L301-S303 PolarHBondContact O-N 2.65Å; S303-K307 WeakPolarHBondContact O-CD 3.49Å; S303-K307 WeakPolarHBondContact O-CE 3.28Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.9Å |
| 304 | D | 68.2 | Low | 72.9 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -86.2 | -40.4 | 178.3 | -64.2 | -27.7 | 0 | 0 | 0 | 111.2 | S300 L301 D302 L306 K307 E308 | S300-D304 PolarHBondContact O-N 3Å; L301-D304 PolarHBondContact O-N 3.37Å; D302-D304 VanDerWaalsContact C-N 3.32Å; D304-L306 VanDerWaalsContact C-N 3.25Å; D304-L306 PolarHBondContact O-N 3.29Å; D304-K307 PolarHBondContact O-N 3.1Å; D304-K307 IonicContact OD1-NZ 3.25Å; D304-K307 PolarHBondContact OD1-NZ 3.47Å; D304-E308 WeakPolarHBondContact O-CG 2.93Å; D304-E308 PolarHBondContact O-N 3.31Å |
| 305 | D | 64.9 | Low | 71.4 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -55.6 | -41 | 167.9 | -78 | -38.3 | 0 | 0 | 0 | 111.3 | L301 A309 | L301-D305 PolarHBondContact O-N 2.85Å; D305-A309 VanDerWaalsContact O-CB 3.26Å; D305-A309 WeakPolarHBondContact O-CB 3.43Å; D305-A309 PolarHBondContact O-N 3.27Å |
| 306 | L | 69.1 | Low | 69.3 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -34.4 | 176.2 | -173.9 | 61.8 | 0 | 0 | 0 | 112.6 | D302 D304 V310 | D302-L306 WeakPolarHBondContact O-CB 3.22Å; D302-L306 PolarHBondContact O-N 3.4Å; D304-L306 VanDerWaalsContact C-N 3.25Å; D304-L306 PolarHBondContact O-N 3.29Å; L306-V310 WeakPolarHBondContact O-CB 3.36Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.3Å |
| 307 | K | 68.6 | Low | 67.2 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -47.7 | 174.2 | -73.6 | 163.7 | -155.9 | 160.8 | 0 | 111.3 | S303 D304 A309 V310 V311 | S303-K307 WeakPolarHBondContact O-CD 3.49Å; S303-K307 WeakPolarHBondContact O-CE 3.28Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.9Å; D304-K307 PolarHBondContact O-N 3.1Å; D304-K307 IonicContact OD1-NZ 3.25Å; D304-K307 PolarHBondContact OD1-NZ 3.47Å; K307-A309 VanDerWaalsContact C-N 3.32Å; K307-A309 PolarHBondContact O-N 3.1Å; K307-V310 PolarHBondContact O-N 3.31Å; K307-V310 VanDerWaalsContact O-N 3.11Å; K307-V311 WeakPolarHBondContact O-CG2 3.44Å; K307-V311 PolarHBondContact O-N 2.92Å |
| 308 | E | 66.1 | Low | 65.2 | Low | 137 Ų | 137 | 104.6 Ų | 104.6 | 64% | 0.64 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.8 | -47.6 | 176.4 | -68.8 | -84.6 | 111.6 | 0 | 0 | 109.9 | D304 V310 V311 D312 | D304-E308 WeakPolarHBondContact O-CG 2.93Å; D304-E308 PolarHBondContact O-N 3.31Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.92Å; E308-V311 PolarHBondContact O-N 3.23Å; E308-V311 VanDerWaalsContact O-N 3.13Å; E308-D312 PolarHBondContact O-N 2.94Å |
| 309 | A | 65.3 | Low | 63.4 | Low | 53 Ų | 53 | 104.6 Ų | 104.6 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -30.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D305 K307 R313 | D305-A309 VanDerWaalsContact O-CB 3.26Å; D305-A309 WeakPolarHBondContact O-CB 3.43Å; D305-A309 PolarHBondContact O-N 3.27Å; K307-A309 VanDerWaalsContact C-N 3.32Å; K307-A309 PolarHBondContact O-N 3.1Å; A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 3.41Å; A309-R313 VanDerWaalsContact O-N 3.16Å |
| 310 | V | 69.1 | Low | 61.4 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -37.5 | 172.9 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | L306 K307 E308 R313 T314 | L306-V310 WeakPolarHBondContact O-CB 3.36Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.3Å; K307-V310 PolarHBondContact O-N 3.31Å; K307-V310 VanDerWaalsContact O-N 3.11Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.92Å; V310-R313 PolarHBondContact O-N 3.2Å; V310-T314 WeakPolarHBondContact O-CB 3.47Å; V310-T314 PolarHBondContact O-N 2.9Å; V310-T314 PolarHBondContact O-OG1 2.76Å |
| 311 | V | 67.6 | Low | 59.5 | Low | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.2 | -47.6 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | K307 E308 R313 T314 L315 | K307-V311 WeakPolarHBondContact O-CG2 3.44Å; K307-V311 PolarHBondContact O-N 2.92Å; E308-V311 PolarHBondContact O-N 3.23Å; E308-V311 VanDerWaalsContact O-N 3.13Å; V311-R313 PolarHBondContact O-N 2.92Å; V311-T314 WeakPolarHBondContact O-CB 3.27Å; V311-T314 PolarHBondContact O-N 3.36Å; V311-T314 VanDerWaalsContact O-N 3.09Å; V311-L315 PolarHBondContact O-N 2.7Å |
| 312 | D | 60.4 | Low | 57.7 | Low | 101 Ų | 101 | 113.4 Ų | 113.4 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 175.6 | -89.8 | -17 | 0 | 0 | 0 | 112.4 | E308 T314 L315 S316 | E308-D312 PolarHBondContact O-N 2.94Å; D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.28Å; D312-L315 PolarHBondContact O-N 2.96Å; D312-S316 WeakPolarHBondContact O-CB 3.29Å; D312-S316 PolarHBondContact O-N 3.47Å; D312-S316 VanDerWaalsContact O-N 3.11Å; D312-S316 PolarHBondContact O-OG 2.75Å |
| 313 | R | 61 | Low | 56 | Low | 203 Ų | 203 | 120.9 Ų | 120.9 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.1 | -33.3 | 172.8 | -112.8 | -180 | 171.6 | 145.8 | -1.4 | 113 | A309 V310 V311 | A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 3.41Å; A309-R313 VanDerWaalsContact O-N 3.16Å; V310-R313 PolarHBondContact O-N 3.2Å; V311-R313 PolarHBondContact O-N 2.92Å |
| 314 | T | 58.2 | Low | 54.2 | Low | 104 Ų | 104 | 125.4 Ų | 125.4 | 64% | 0.638 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.3 | -33.6 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | V310 V311 D312 S316 | V310-T314 WeakPolarHBondContact O-CB 3.47Å; V310-T314 PolarHBondContact O-N 2.9Å; V310-T314 PolarHBondContact O-OG1 2.76Å; V311-T314 WeakPolarHBondContact O-CB 3.27Å; V311-T314 PolarHBondContact O-N 3.36Å; V311-T314 VanDerWaalsContact O-N 3.09Å; D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.28Å; T314-S316 VanDerWaalsContact C-N 3.3Å; T314-S316 PolarHBondContact O-N 3.17Å |
| 315 | L | 57.5 | Low | 52.4 | Low | 148 Ų | 148 | 125.6 Ų | 125.6 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.8 | -22.5 | 175.5 | -163.4 | 71.1 | 0 | 0 | 0 | 113.1 | V311 D312 | V311-L315 PolarHBondContact O-N 2.7Å; D312-L315 PolarHBondContact O-N 2.96Å |
| 316 | S | 46.3 | Very low | 50.9 | Low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 7.5 | -172.9 | -58.8 | 0 | 0 | 0 | 0 | 115.1 | D312 T314 | D312-S316 WeakPolarHBondContact O-CB 3.29Å; D312-S316 PolarHBondContact O-N 3.47Å; D312-S316 VanDerWaalsContact O-N 3.11Å; D312-S316 PolarHBondContact O-OG 2.75Å; T314-S316 VanDerWaalsContact C-N 3.3Å; T314-S316 PolarHBondContact O-N 3.17Å |
| 317 | Q | 46.2 | Very low | 49.1 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -113.2 | 118.2 | -173.8 | -152 | 168.4 | 119.2 | 0 | 0 | 111.7 | ||||
| 318 | P | 46.4 | Very low | 47.4 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.8 | 178 | 29.9 | -32.9 | 0 | 0 | 0 | 110.1 | Q320 | P318-Q320 PolarHBondContact O-N 2.86Š|
| 319 | G | 47 | Very low | 45.8 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 320 | Q | 37.6 | Very low | 44.2 | Very low | 196 Ų | 196 | 129 Ų | 129 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 130.9 | 158.7 | -84 | -171.7 | -39.1 | 0 | 0 | 109.8 | P318 | P318-Q320 PolarHBondContact O-N 2.86Š|
| 321 | G | 35.6 | Very low | 42.4 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 156.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 322 | Y | 34.9 | Very low | 40.9 | Very low | 217 Ų | 217 | 132.9 Ų | 132.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 138 | 170.4 | -84.1 | -112.3 | 0 | 0 | 0 | 113.3 | ||
| 323 | Q | 34.8 | Very low | 39.6 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -141.3 | 141 | 133.5 | -97.5 | -169.5 | 12.7 | 0 | 0 | 111.1 | ||||
| 324 | N | 32.7 | Very low | 38.4 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -78.3 | 147.2 | 178.6 | -69.1 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 325 | G | 31.4 | Very low | 37.1 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -172.8 | 88.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 326 | I | 33.8 | Very low | 36.1 | Very low | 183 Ų | 183 | 132 Ų | 132 | 94% | 0.938 | 80% | 0.804 | S | S | * | * | trans | -34.9 | 137.2 | 169.5 | -60 | 151.4 | 0 | 0 | 0 | 114.5 | ||||
| 327 | G | 30.4 | Very low | 35.4 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | 152.5 | 98.9 | 149 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 328 | V | 32.3 | Very low | 34.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | 57.8 | 130.9 | 138.9 | -170.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 329 | S | 33.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 150.2 | 172.7 | -42 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 330 | A | 30.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -168.9 | 160.9 | 132.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 331 | S | 32 | Very low | 33 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -110.1 | 163.4 | -169.3 | -42.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 332 | N | 34.9 | Very low | 32.9 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 77.8 | 144.5 | 145.2 | -63.5 | -8.1 | 0 | 0 | 0 | 122.5 | ||||
| 333 | S | 33.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 90 | 101 | 144 | -64.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 334 | S | 35.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 60.7 | 137.7 | 109.1 | -53.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 335 | L | 31.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 71.5 | 139.7 | 159.8 | -68.9 | 155.9 | 0 | 0 | 0 | 115 | ||||
| 336 | M | 36 | Very low | 32.1 | Very low | 178 Ų | 178 | 120.7 Ų | 120.7 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | -139.2 | 157.2 | 61.3 | -68.7 | -65.2 | -167.1 | 0 | 0 | 116.3 | |||||
| 337 | V | 32.4 | Very low | 32 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | trans | -86.1 | 141 | 163.3 | 168.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 338 | V | 34.1 | Very low | 32 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -140.5 | 135.5 | 146.7 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 339 | A | 30.6 | Very low | 31.7 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | -123.7 | 147.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 340 | S | 32.7 | Very low | 31.5 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -166.5 | 123.8 | 161.3 | -69.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 341 | T | 30 | Very low | 31.4 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | cis | 55.6 | 130.4 | 48.4 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 342 | A | 31.8 | Very low | 31.3 | Very low | 81 Ų | 81 | 122 Ų | 122 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -165.6 | 176.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 343 | N | 30 | Very low | 30.9 | Very low | 166 Ų | 166 | 118.4 Ų | 118.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 146.3 | 169.8 | -58.4 | -4.9 | 0 | 0 | 0 | 116 | ||||
| 344 | G | 27.9 | Very low | 30.6 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 114.5 | 135.2 | 26 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 345 | S | 31.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -166.7 | 169.7 | 15.8 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 346 | T | 29.2 | Very low | 30 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 74.6 | 116.2 | 146.6 | -38.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 347 | S | 32.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 154.3 | 110.9 | 127.2 | -67.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 348 | T | 28.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 92.5 | 114.3 | 59.2 | -57 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 349 | A | 27.7 | Very low | 28.9 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 66 | 157.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 350 | V | 28.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | -140.7 | 158.6 | 23.8 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 351 | V | 29.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -93.4 | 132.4 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 352 | T | 28.3 | Very low | 28.4 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -153.6 | 152.4 | 144.8 | -23.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 353 | A | 27.8 | Very low | 28.9 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -113.7 | -171 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 354 | T | 27.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 95% | 0.945 | 79% | 0.791 | S | S | * | * | trans | 76 | 145.8 | -177.7 | 73.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 355 | G | 27 | Very low | 28.5 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | cis | 170.1 | 150.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 356 | E | 25.5 | Very low | 28.2 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 59.1 | 123.5 | 174.2 | -76.2 | 173.2 | 78.7 | 0 | 0 | 117.9 | ||||
| 357 | L | 26.7 | Very low | 28.2 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | 81 | 101.2 | 65.4 | -163 | 82.1 | 0 | 0 | 0 | 113 | |||||
| 358 | G | 26.5 | Very low | 28.1 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 176.3 | 120.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | A | 26.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -99.9 | 145.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 360 | H | 24.7 | Very low | 28.8 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -146.6 | 154.3 | 144.4 | -154 | -89.8 | 0 | 0 | 0 | 111.2 | ||||
| 361 | V | 30.7 | Very low | 28.8 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 146.2 | -173.8 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 362 | D | 28.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -159.2 | 159 | 138.9 | -96.8 | -38 | 0 | 0 | 0 | 110.6 | ||||
| 363 | P | 40.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -110.1 | 154.6 | -159.8 | 39.5 | -32.8 | 0 | 0 | 0 | 115.3 | ||||
| 364 | E | 24.5 | Very low | 30.3 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | 168.3 | 158.7 | 127.3 | -96.6 | -160.2 | 80 | 0 | 0 | 114.9 | |||||
| 365 | S | 25.5 | Very low | 31 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | 74.9 | 143.1 | 167.4 | 87.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 366 | G | 26.2 | Very low | 31.9 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | 117.7 | 62.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | T368 | G366-T368 PolarHBondContact O-N 3.37Š| ||
| 367 | T | 28.9 | Very low | 32.9 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 102.2 | 170.3 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 368 | T | 30.1 | Very low | 34.3 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -102.4 | 118.5 | 170 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | G366 | G366-T368 PolarHBondContact O-N 3.37Š| ||
| 369 | V | 34.5 | Very low | 35.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -62.6 | 131.2 | 173.4 | 176 | 0 | 0 | 0 | 0 | 110.2 | D371 | V369-D371 PolarHBondContact O-N 3.24Š| ||
| 370 | P | 35.8 | Very low | 36.3 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -78 | 112.3 | 175 | 30 | -32.1 | 0 | 0 | 0 | 110.7 | Q372 | P370-Q372 PolarHBondContact O-N 2.76Š| ||
| 371 | D | 29.6 | Very low | 37.3 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -66 | 128 | 178.3 | -135.9 | -50.2 | 0 | 0 | 0 | 111.7 | V369 H373 | V369-D371 PolarHBondContact O-N 3.24Å; D371-H373 VanDerWaalsContact C-N 3.33Å; D371-H373 PolarHBondContact O-N 3.48Å; D371-H373 IonicContact OD1-CE1 2.66Å; D371-H373 IonicContact OD1-ND1 2.68Å; D371-H373 PolarHBondContact OD1-ND1 3.35Å | ||
| 372 | Q | 38.3 | Very low | 38.1 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | -89.1 | 65.1 | -166.3 | -162.7 | 148.2 | 49.4 | 0 | 0 | 112.3 | P370 | P370-Q372 PolarHBondContact O-N 2.76Š| ||
| 373 | H | 38.1 | Very low | 38.9 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | trans | -109.6 | 107.1 | -173.4 | -90.9 | 87.1 | 0 | 0 | 0 | 115.3 | D371 | D371-H373 VanDerWaalsContact C-N 3.33Å; D371-H373 PolarHBondContact O-N 3.48Å; D371-H373 IonicContact OD1-CE1 2.66Å; D371-H373 IonicContact OD1-ND1 2.68Å; D371-H373 PolarHBondContact OD1-ND1 3.35Å | ||
| 374 | C | 41 | Very low | 39 | Very low | 76 Ų | 76 | 126 Ų | 126 | 51% | 0.514 | 69% | 0.694 | S | S | . | * | trans | 43.3 | 116.2 | 150.7 | -69.8 | 0 | 0 | 0 | 0 | 121 | Y376 | C374-Y376 PolarHBondContact O-N 3.4Š| ||
| 375 | P | 42.3 | Very low | 39.7 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 2.7 | 171.7 | 30.3 | -36.4 | 0 | 0 | 0 | 115.1 | ||
| 376 | Y | 44.6 | Very low | 40.2 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.2 | -25.6 | 179.8 | -74.9 | -86.1 | 0 | 0 | 0 | 113.8 | C374 I378 L379 H380 | C374-Y376 PolarHBondContact O-N 3.4Å; Y376-I378 VanDerWaalsContact C-N 3.33Å; Y376-I378 PolarHBondContact O-N 3.37Å; Y376-L379 PolarHBondContact O-N 2.97Å; Y376-H380 PolarHBondContact O-N 3.06Å |
| 377 | N | 47.4 | Very low | 40.5 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -64.9 | -35.4 | 178.2 | -95.5 | -42.4 | 0 | 0 | 0 | 112.7 | L379 H380 L381 | N377-L379 PolarHBondContact O-N 2.81Å; N377-H380 PolarHBondContact O-N 3.46Å; N377-L381 PolarHBondContact O-N 3.48Å |
| 378 | I | 55.6 | Low | 40.7 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 59% | 0.59 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67 | -40.3 | -178.5 | -60.4 | 172.7 | 0 | 0 | 0 | 111 | Y376 H380 L381 L382 | Y376-I378 VanDerWaalsContact C-N 3.33Å; Y376-I378 PolarHBondContact O-N 3.37Å; I378-H380 VanDerWaalsContact C-N 3.32Å; I378-H380 PolarHBondContact O-N 3.1Å; I378-L381 PolarHBondContact O-N 3.4Å; I378-L382 HydrophobicContact CG2-CD1 4.16Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.48Å; I378-L382 VanDerWaalsContact O-N 3.09Å |
| 379 | L | 49 | Very low | 40.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.8 | -33.2 | 174.7 | -78.4 | 165.3 | 0 | 0 | 0 | 112.5 | Y376 N377 S383 | Y376-L379 PolarHBondContact O-N 2.97Å; N377-L379 PolarHBondContact O-N 2.81Å; L379-S383 PolarHBondContact O-N 3.01Å |
| 380 | H | 46 | Very low | 40.6 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -75.5 | -25.9 | 175.7 | -153.7 | -74.1 | 0 | 0 | 0 | 112.9 | Y376 N377 I378 S383 H384 | Y376-H380 PolarHBondContact O-N 3.06Å; N377-H380 PolarHBondContact O-N 3.46Å; I378-H380 VanDerWaalsContact C-N 3.32Å; I378-H380 PolarHBondContact O-N 3.1Å; H380-S383 PolarHBondContact O-OG 3.43Å; H380-H384 AromaticContact CE1-CD2 3.98Å; H380-H384 AromaticContact CE1-NE2 3.72Å; H380-H384 AromaticContact ND1-CD2 3.87Å; H380-H384 PolarHBondContact O-CD2 3.38Å |
| 381 | L | 45.9 | Very low | 40.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -76.2 | -38.4 | 173.8 | -150.8 | 73.8 | 0 | 0 | 0 | 111.4 | N377 I378 S383 H384 L385 | N377-L381 PolarHBondContact O-N 3.48Å; I378-L381 PolarHBondContact O-N 3.4Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.35Å; L381-H384 PolarHBondContact O-N 3.08Å; L381-L385 PolarHBondContact O-N 3.36Å |
| 382 | L | 47.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 56% | 0.56 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.2 | -24.6 | 178.5 | -71.5 | 169.1 | 0 | 0 | 0 | 113.8 | I378 | I378-L382 HydrophobicContact CG2-CD1 4.16Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.48Å; I378-L382 VanDerWaalsContact O-N 3.09Å |
| 383 | S | 45.8 | Very low | 40 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -71.3 | -32.1 | 173.1 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | L379 H380 L381 | L379-S383 PolarHBondContact O-N 3.01Å; H380-S383 PolarHBondContact O-OG 3.43Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.35Å |
| 384 | H | 42.9 | Very low | 40 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80.4 | -16.2 | 178 | -83.8 | -81.1 | 0 | 0 | 0 | 114.3 | H380 L381 | H380-H384 AromaticContact CE1-CD2 3.98Å; H380-H384 AromaticContact CE1-NE2 3.72Å; H380-H384 AromaticContact ND1-CD2 3.87Å; H380-H384 PolarHBondContact O-CD2 3.38Å; L381-H384 PolarHBondContact O-N 3.08Å |
| 385 | L | 39.6 | Very low | 39.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -2.3 | 177.6 | -72.2 | 170.8 | 0 | 0 | 0 | 114.2 | L381 Q387 | L381-L385 PolarHBondContact O-N 3.36Å; L385-Q387 PolarHBondContact O-N 3.28Å; L385-Q387 VanDerWaalsContact O-N 3.16Å |
| 386 | R | 35.8 | Very low | 39.1 | Very low | 220 Ų | 220 | 141.6 Ų | 141.6 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | trans | -78.9 | 96.7 | 172.3 | -174.6 | 175.6 | -70.7 | 156.9 | -1.4 | 109.7 | ||||
| 387 | Q | 33.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -55.4 | 146.9 | 172.3 | -81.8 | -168 | -23.9 | 0 | 0 | 111.9 | L385 E389 | L385-Q387 PolarHBondContact O-N 3.28Å; L385-Q387 VanDerWaalsContact O-N 3.16Å; Q387-E389 PolarHBondContact O-N 3.05Å | ||
| 388 | P | 32.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -76.7 | 114.3 | 167.3 | 31.2 | -31.1 | 0 | 0 | 0 | 109.8 | ||||
| 389 | E | 32.9 | Very low | 37.2 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 154.8 | 178.1 | -137.6 | 164.1 | 141.7 | 0 | 0 | 112.1 | Q387 | Q387-E389 PolarHBondContact O-N 3.05Š| ||
| 390 | A | 29.9 | Very low | 36.9 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 144.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115 | S392 | A390-S392 PolarHBondContact O-N 3.15Š| ||
| 391 | R | 30.6 | Very low | 36.4 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -74.1 | 113.7 | -178.8 | -176.2 | -174 | -167.8 | 94.5 | -5.1 | 111.9 | ||||
| 392 | S | 27.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -108 | 137.8 | 161.5 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | A390 | A390-S392 PolarHBondContact O-N 3.15Š| ||
| 393 | Q | 31.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -98.9 | 174.2 | -174.7 | -114 | -166.2 | -30.6 | 0 | 0 | 111.7 | ||||
| 394 | P | 38.7 | Very low | 34.8 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -107.6 | 162.9 | -126.1 | 40.2 | -32.3 | 0 | 0 | 0 | 114.8 | |||||
| 395 | S | 29.3 | Very low | 34.6 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -120.8 | 138.6 | 159.8 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | S397 | S395-S397 PolarHBondContact O-N 2.71Š| ||
| 396 | N | 34.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -60.2 | 127.3 | -175.9 | -97 | -29.6 | 0 | 0 | 0 | 113.2 | ||||
| 397 | S | 30.7 | Very low | 34.9 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -156.1 | 116.4 | 142 | -162.4 | 0 | 0 | 0 | 0 | 111.4 | S395 R399 | S395-S397 PolarHBondContact O-N 2.71Å; S397-R399 PolarHBondContact O-N 2.92Å | ||
| 398 | T | 41 | Very low | 35.3 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -63.4 | 111.7 | 173 | 39.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 399 | R | 37.3 | Very low | 35.4 | Very low | 218 Ų | 218 | 154.8 Ų | 154.8 | 82% | 0.823 | 83% | 0.832 | S | S | * | * | trans | -141 | 105.4 | 155.1 | -80.1 | -159.9 | 145.9 | 91.2 | 1.1 | 111.9 | S397 | S397-R399 PolarHBondContact O-N 2.92Š| ||
| 400 | E | 41.5 | Very low | 35.6 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -63 | 129.5 | 163.6 | 176.5 | -177.7 | -166.3 | 0 | 0 | 110.5 | ||||
| 401 | L | 37.1 | Very low | 35.9 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | trans | -159.3 | 81.7 | 169.8 | -112.8 | 143 | 0 | 0 | 0 | 113.1 | ||||
| 402 | V | 33.3 | Very low | 36.2 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 66% | 0.655 | 83% | 0.827 | S | S | * | * | trans | 32 | 103.2 | 140.8 | -171.3 | 0 | 0 | 0 | 0 | 117.3 | R404 | V402-R404 HydrophobicContact CG1-CG 4.45Å; V402-R404 PolarHBondContact O-N 3.28Å; V402-R404 VanDerWaalsContact O-N 3.16Å | ||
| 403 | M | 34.5 | Very low | 36.7 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -62.7 | 111.4 | 157.7 | -86.4 | -174.1 | -84.7 | 0 | 0 | 110.1 | V405 | M403-V405 PolarHBondContact O-N 3.42Š| ||
| 404 | R | 35.8 | Very low | 37.1 | Very low | 212 Ų | 212 | 152.6 Ų | 152.6 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -81.9 | 102 | 165.6 | -79.1 | -169.1 | 171.3 | 102.6 | -2 | 109.9 | V402 T406 | V402-R404 HydrophobicContact CG1-CG 4.45Å; V402-R404 PolarHBondContact O-N 3.28Å; V402-R404 VanDerWaalsContact O-N 3.16Å; R404-T406 PolarHBondContact O-N 3.28Å | ||
| 405 | V | 39.2 | Very low | 37 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 72% | 0.715 | 84% | 0.836 | S | S | * | * | trans | -68.6 | 111.4 | 161.3 | 174.5 | 0 | 0 | 0 | 0 | 108 | M403 T407 | M403-V405 PolarHBondContact O-N 3.42Å; V405-T407 HydrophobicContact CG1-CG2 4.02Å | ||
| 406 | T | 43 | Very low | 37.5 | Very low | 132 Ų | 132 | 158 Ų | 158 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -100.9 | 87.2 | 169 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | R404 | R404-T406 PolarHBondContact O-N 3.28Š| ||
| 407 | T | 40.2 | Very low | 37.8 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | trans | -95.1 | 119.3 | 156.8 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | V405 | V405-T407 HydrophobicContact CG1-CG2 4.02Š| ||
| 408 | V | 40.3 | Very low | 38.5 | Very low | 217 Ų | 217 | 161.5 Ų | 161.5 | 100% | 1.315 | 84% | 0.839 | S | S | * | * | -166.1 | 0 | 115.1 | 172.2 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 408 of 408 residues in 323.7 ms
(Link to these results)