| 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 | 45.4 | Very low | 51.9 | Low | 239 Ų | 239 | 146.5 Ų | 146.5 | 100% | 1.177 | 80% | 0.803 | S | S | * | * | 0 | 97.3 | 0 | -90.3 | 78.4 | 173.7 | 0 | 0 | 107.8 | |||||
| 2 | E | 46.2 | Very low | 52.4 | Low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -124.9 | 98.4 | 170.7 | -86.2 | -170.6 | 105.5 | 0 | 0 | 107.8 | ||||
| 3 | F | 51.9 | Low | 53.1 | Low | 219 Ų | 219 | 145.8 Ų | 145.8 | 96% | 0.961 | 77% | 0.77 | S | S | * | * | trans | -150.9 | 78.4 | 166.8 | -73.4 | -73.5 | 0 | 0 | 0 | 107.8 | ||||
| 4 | A | 52.7 | Low | 53.5 | Low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -154.8 | 82.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | S | 54.5 | Low | 54 | Low | 126 Ų | 126 | 138.9 Ų | 138.9 | 88% | 0.881 | 73% | 0.73 | S | S | * | * | trans | -157.9 | 11.2 | 168.1 | -82.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 6 | S | 55.6 | Low | 54.5 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -105.5 | -4.7 | -178.4 | -59.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 7 | S | 55.7 | Low | 54.8 | Low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87.6 | -7.7 | -177 | -70.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 8 | S | 52.5 | Low | 55.2 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -19.8 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 9 | R | 52.8 | Low | 55.6 | Low | 217 Ų | 217 | 131.9 Ų | 131.9 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -27.6 | -177.8 | -85.4 | -173 | 175.2 | 154.4 | -0.9 | 113.6 | ||
| 10 | F | 48.5 | Very low | 55.8 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 61% | 0.605 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.9 | -30.1 | -176.5 | -128.6 | -92.5 | 0 | 0 | 0 | 113.2 | E14 | F10-E14 PolarHBondContact O-N 2.96Å |
| 11 | S | 54.9 | Low | 56.1 | Low | 64 Ų | 64 | 131.1 Ų | 131.1 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.4 | -31 | 179.8 | -61 | 0 | 0 | 0 | 0 | 113.3 | E14 D15 | S11-E14 PolarHBondContact O-N 2.99Å; S11-D15 PolarHBondContact O-N 2.98Å |
| 12 | R | 58.2 | Low | 57 | Low | 174 Ų | 174 | 125.9 Ų | 125.9 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.4 | -33.1 | -179.2 | -178 | 172.1 | 167 | 155.3 | -0.3 | 112.6 | E16 | R12-E16 WeakPolarHBondContact CG-OE1 3.45Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.91Å; R12-E16 PolarHBondContact NE-OE1 3.18Å; R12-E16 IonicContact NH2-OE1 3.75Å; R12-E16 VanDerWaalsContact O-CG 3.29Å; R12-E16 WeakPolarHBondContact O-CG 2.72Å; R12-E16 PolarHBondContact O-N 3.32Å |
| 13 | E | 61 | Low | 57.8 | Low | 110 Ų | 110 | 123.7 Ų | 123.7 | 51% | 0.514 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.2 | -35.3 | 175.7 | -66.2 | 174.6 | 148.7 | 0 | 0 | 111 | E16 E17 | E13-E16 PolarHBondContact O-N 3.23Å; E13-E17 PolarHBondContact O-N 2.94Å; E13-E17 VanDerWaalsContact O-N 3.12Å |
| 14 | E | 59 | Low | 58.4 | Low | 93 Ų | 93 | 119.8 Ų | 119.8 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.7 | -38.9 | 175.2 | -70.7 | 177.8 | 162.4 | 0 | 0 | 112.3 | F10 S11 E18 | F10-E14 PolarHBondContact O-N 2.96Å; S11-E14 PolarHBondContact O-N 2.99Å; E14-E18 WeakPolarHBondContact O-CG 3Å; E14-E18 PolarHBondContact O-N 3.16Å |
| 15 | D | 60.6 | Low | 58.8 | Low | 96 Ų | 96 | 117.7 Ų | 117.7 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.7 | -38.2 | 175.5 | -68.4 | -38.3 | 0 | 0 | 0 | 111.7 | S11 E18 E19 | S11-D15 PolarHBondContact O-N 2.98Å; D15-E18 PolarHBondContact O-N 3.38Å; D15-E19 PolarHBondContact O-N 2.83Å; D15-E19 VanDerWaalsContact O-N 3.11Å |
| 16 | E | 61.9 | Low | 59.2 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 38% | 0.383 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72 | -29 | -179.9 | -72.9 | 172.3 | -172.1 | 0 | 0 | 113.2 | R12 E13 Q20 | R12-E16 WeakPolarHBondContact CG-OE1 3.45Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.91Å; R12-E16 PolarHBondContact NE-OE1 3.18Å; R12-E16 IonicContact NH2-OE1 3.75Å; R12-E16 VanDerWaalsContact O-CG 3.29Å; R12-E16 WeakPolarHBondContact O-CG 2.72Å; R12-E16 PolarHBondContact O-N 3.32Å; E13-E16 PolarHBondContact O-N 3.23Å; E16-Q20 PolarHBondContact O-N 3.1Å; E16-Q20 PolarHBondContact O-NE2 3.21Å |
| 17 | E | 61 | Low | 59.6 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.4 | -34.5 | 172.3 | -73.2 | -176.9 | -179 | 0 | 0 | 111.9 | E13 Q20 E21 | E13-E17 PolarHBondContact O-N 2.94Å; E13-E17 VanDerWaalsContact O-N 3.12Å; E17-Q20 PolarHBondContact O-N 3.03Å; E17-E21 PolarHBondContact O-N 2.96Å; E17-E21 VanDerWaalsContact O-N 3.08Å |
| 18 | E | 60.7 | Low | 59.9 | Low | 78 Ų | 78 | 120.9 Ų | 120.9 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -39.4 | 175.8 | -74.7 | -174.2 | -174.5 | 0 | 0 | 112.3 | E14 D15 Q20 E21 E22 K167 | E14-E18 WeakPolarHBondContact O-CG 3Å; E14-E18 PolarHBondContact O-N 3.16Å; D15-E18 PolarHBondContact O-N 3.38Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3Å; E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.39Å; E18-K167 IonicContact OE1-NZ 2.71Å; E18-K167 PolarHBondContact OE1-NZ 2.98Å; E18-K167 IonicContact OE2-NZ 3.17Å; E18-K167 PolarHBondContact OE2-NZ 2.97Å |
| 19 | E | 63.1 | Low | 60.3 | Low | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 174.1 | -73.5 | -178.5 | 172.8 | 0 | 0 | 111.8 | D15 E22 E23 | D15-E19 PolarHBondContact O-N 2.83Å; D15-E19 VanDerWaalsContact O-N 3.11Å; E19-E22 PolarHBondContact O-N 2.77Å; E19-E23 WeakPolarHBondContact O-CG 3.43Å; E19-E23 PolarHBondContact O-N 3.1Å |
| 20 | Q | 59 | Low | 60.3 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.6 | -37.7 | 175.9 | -79.3 | 170.4 | 80.1 | 0 | 0 | 112.8 | E16 E17 E18 E22 E24 | E16-Q20 PolarHBondContact O-N 3.1Å; E16-Q20 PolarHBondContact O-NE2 3.21Å; E17-Q20 PolarHBondContact O-N 3.03Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 3.04Å; Q20-E22 VanDerWaalsContact C-N 3.34Å; Q20-E24 PolarHBondContact O-N 3.16Å; Q20-E24 VanDerWaalsContact O-N 3.1Å |
| 21 | E | 63.3 | Low | 61 | Low | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.1 | -33 | 175 | -74.6 | -168.7 | 172 | 0 | 0 | 112.3 | E17 E18 E25 | E17-E21 PolarHBondContact O-N 2.96Å; E17-E21 VanDerWaalsContact O-N 3.08Å; E18-E21 PolarHBondContact O-N 3Å; E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 3.08Å |
| 22 | E | 64 | Low | 60.9 | Low | 129 Ų | 129 | 118.9 Ų | 118.9 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71 | -41.6 | 175 | -72.6 | -169.5 | 169.2 | 0 | 0 | 112 | E18 E19 Q20 E25 E26 | E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.39Å; E19-E22 PolarHBondContact O-N 2.77Å; Q20-E22 VanDerWaalsContact C-N 3.34Å; E22-E25 PolarHBondContact O-N 2.91Å; E22-E26 PolarHBondContact O-N 3.41Å |
| 23 | E | 62.8 | Low | 60.4 | Low | 140 Ų | 140 | 119.3 Ų | 119.3 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -42.8 | 175.9 | -74.4 | -173.4 | 171.3 | 0 | 0 | 112.4 | E19 E25 E26 E27 | E19-E23 WeakPolarHBondContact O-CG 3.43Å; E19-E23 PolarHBondContact O-N 3.1Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 3.13Å; E23-E26 PolarHBondContact O-N 3.3Å; E23-E27 PolarHBondContact O-N 3.28Å |
| 24 | E | 63.8 | Low | 60.2 | Low | 136 Ų | 136 | 121.3 Ų | 121.3 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.6 | -29.7 | 175.1 | -76.2 | -167.9 | 172.3 | 0 | 0 | 112.5 | Q20 E28 | Q20-E24 PolarHBondContact O-N 3.16Å; Q20-E24 VanDerWaalsContact O-N 3.1Å; E24-E28 WeakPolarHBondContact O-CB 3.16Å; E24-E28 PolarHBondContact O-N 2.71Å |
| 25 | E | 62.6 | Low | 60.1 | Low | 53 Ų | 53 | 122 Ų | 122 | 25% | 0.248 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -77.9 | -32.4 | 177.9 | -157 | 170.7 | -122.1 | 0 | 0 | 112.2 | E21 E22 E23 A29 K160 R164 | E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 3.08Å; E22-E25 PolarHBondContact O-N 2.91Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 3.13Å; E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.17Å; E25-A29 VanDerWaalsContact O-N 3.08Å; E25-K160 WeakPolarHBondContact OE1-CE 3.43Å; E25-R164 IonicContact OE2-NH1 2.95Å; E25-R164 PolarHBondContact OE2-NH1 3.42Å |
| 26 | E | 63 | Low | 59.4 | Low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.3 | -38.2 | 170.4 | -78.2 | -162.6 | 154.8 | 0 | 0 | 112.5 | E22 E23 A29 S30 | E22-E26 PolarHBondContact O-N 3.41Å; E23-E26 PolarHBondContact O-N 3.3Å; E26-A29 PolarHBondContact O-N 3.34Å; E26-S30 PolarHBondContact O-N 2.91Å; E26-S30 VanDerWaalsContact O-N 3.15Å |
| 27 | E | 63.1 | Low | 58.9 | Low | 153 Ų | 153 | 130.5 Ų | 130.5 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -36.9 | 177.5 | -153.6 | -168.4 | 158.8 | 0 | 0 | 111.9 | E23 | E23-E27 PolarHBondContact O-N 3.28Å |
| 28 | E | 62 | Low | 58 | Low | 110 Ų | 110 | 129 Ų | 129 | 51% | 0.514 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.9 | -25.9 | 175.6 | -157.3 | -162.5 | 156.2 | 0 | 0 | 112.6 | E24 K160 | E24-E28 WeakPolarHBondContact O-CB 3.16Å; E24-E28 PolarHBondContact O-N 2.71Å; E28-K160 IonicContact OE2-NZ 2.69Å; E28-K160 PolarHBondContact OE2-NZ 3.12Å; E28-K160 VanDerWaalsContact OE2-NZ 3.17Å |
| 29 | A | 61.7 | Low | 57.2 | Low | 64 Ų | 64 | 129.6 Ų | 129.6 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -84.7 | -14.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E25 E26 P31 | E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.17Å; E25-A29 VanDerWaalsContact O-N 3.08Å; E26-A29 PolarHBondContact O-N 3.34Å; A29-P31 VanDerWaalsContact O-CD 3.27Å; A29-P31 WeakPolarHBondContact O-CD 3.33Å |
| 30 | S | 52 | Low | 56.3 | Low | 79 Ų | 79 | 127.9 Ų | 127.9 | 55% | 0.552 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -76.3 | 114.1 | 175.2 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | E26 R32 | E26-S30 PolarHBondContact O-N 2.91Å; E26-S30 VanDerWaalsContact O-N 3.15Å; S30-R32 PolarHBondContact O-N 3.08Å; S30-R32 VanDerWaalsContact O-N 3.1Å |
| 31 | P | 62.1 | Low | 55.4 | Low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | trans | -61.9 | 118.5 | 173.6 | -16.3 | 31 | 0 | 0 | 0 | 108.1 | A29 E33 | A29-P31 VanDerWaalsContact O-CD 3.27Å; A29-P31 WeakPolarHBondContact O-CD 3.33Å; P31-E33 PolarHBondContact O-N 3.17Å | ||
| 32 | R | 54.3 | Low | 54.6 | Low | 230 Ų | 230 | 127.9 Ų | 127.9 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | trans | -59.2 | 95.2 | 164.7 | -73.6 | -176.6 | 173.8 | 177.6 | -1.6 | 107.7 | S30 I34 | S30-R32 PolarHBondContact O-N 3.08Å; S30-R32 VanDerWaalsContact O-N 3.1Å; R32-I34 PolarHBondContact O-N 3.35Å | ||
| 33 | E | 48.1 | Very low | 53.7 | Low | 182 Ų | 182 | 126.6 Ų | 126.6 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | trans | -61 | 102.1 | 169.9 | -65.8 | -164.4 | 129.2 | 0 | 0 | 107.4 | P31 P35 | P31-E33 PolarHBondContact O-N 3.17Å; E33-P35 VanDerWaalsContact O-CD 3.28Å; E33-P35 WeakPolarHBondContact O-CD 3.41Å | ||
| 34 | I | 55.4 | Low | 53.1 | Low | 152 Ų | 152 | 127.5 Ų | 127.5 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -68.5 | 119 | 173.1 | -51.1 | 173.6 | 0 | 0 | 0 | 106.2 | R32 F36 | R32-I34 PolarHBondContact O-N 3.35Å; I34-F36 PolarHBondContact O-N 3.03Å | ||
| 35 | P | 57.7 | Low | 52.3 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -67.5 | 108.3 | 173.6 | -12.6 | 27.6 | 0 | 0 | 0 | 107.9 | E33 M37 | E33-P35 VanDerWaalsContact O-CD 3.28Å; E33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-M37 VanDerWaalsContact C-N 3.34Å; P35-M37 PolarHBondContact O-N 3.15Å | ||
| 36 | F | 46.6 | Very low | 51.6 | Low | 177 Ų | 177 | 128.8 Ų | 128.8 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -66.3 | 98.3 | 165.5 | 123.1 | -82.4 | 0 | 0 | 0 | 107 | I34 T38 | I34-F36 PolarHBondContact O-N 3.03Å; F36-T38 WeakPolarHBondContact CE2-OG1 3.28Å; F36-T38 WeakPolarHBondContact CZ-OG1 3.22Å; F36-T38 PolarHBondContact O-N 3.39Å | ||
| 37 | M | 50.9 | Low | 50.7 | Low | 179 Ų | 179 | 126.3 Ų | 126.3 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -85.2 | 96.6 | 170.3 | -69.7 | -179.8 | 111.2 | 0 | 0 | 108 | P35 | P35-M37 VanDerWaalsContact C-N 3.34Å; P35-M37 PolarHBondContact O-N 3.15Å | ||
| 38 | T | 42.2 | Very low | 49.9 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -73.9 | 115.9 | 157.3 | -70 | 0 | 0 | 0 | 0 | 108.6 | F36 | F36-T38 WeakPolarHBondContact CE2-OG1 3.28Å; F36-T38 WeakPolarHBondContact CZ-OG1 3.22Å; F36-T38 PolarHBondContact O-N 3.39Å | ||
| 39 | A | 43.6 | Very low | 49.3 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -168.5 | 119.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 40 | A | 43 | Very low | 49 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 62.3 | 99.7 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 41 | A | 40.8 | Very low | 49.1 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | 35 | 109.9 | 120.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 42 | T | 46.3 | Very low | 48.9 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -136.4 | 132.9 | 141.6 | 51 | 0 | 0 | 0 | 0 | 109 | ||||
| 43 | A | 45.8 | Very low | 48.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -79.4 | 139 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 44 | D | 50.3 | Low | 49 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -142 | 143.4 | 154.6 | -165.8 | 22.8 | 0 | 0 | 0 | 110.9 | ||||
| 45 | T | 47.4 | Very low | 48.5 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -107 | 118.7 | -160.5 | -40.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 46 | G | 46.2 | Very low | 48 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -150.7 | 103.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | A | 45 | Very low | 48.1 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 140.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 48 | A | 45.8 | Very low | 47.9 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -172.2 | 142.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | A | 49.3 | Very low | 48.3 | Very low | 98 Ų | 98 | 111.9 Ų | 111.9 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -84 | 151.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 50 | S | 56.3 | Low | 48.7 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | -169.6 | 134.7 | 129.3 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 51 | S | 54.6 | Low | 49 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -77.7 | 144.8 | -173 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 52 | S | 57 | Low | 49.8 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | 179.1 | 115.2 | 131.1 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 53 | S | 48.3 | Very low | 49.8 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -102.5 | 157.3 | 158.2 | -52.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 54 | P | 56.3 | Low | 49.7 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | -147.3 | 146.5 | 76.4 | 29.4 | -6.3 | 0 | 0 | 0 | 114.4 | |||||
| 55 | S | 45.3 | Very low | 49.7 | Very low | 118 Ų | 118 | 108.5 Ų | 108.5 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | 63.8 | 103.6 | 85.7 | -44 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 56 | A | 47.1 | Very low | 50 | Low | 99 Ų | 99 | 106.2 Ų | 106.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -165.1 | 107.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 57 | A | 47.9 | Very low | 50.2 | Low | 107 Ų | 107 | 113 Ų | 113 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | 66.1 | 94.9 | 71.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 58 | A | 47 | Very low | 50.5 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -161.9 | 135.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | S | 50.9 | Low | 51.3 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -109.1 | 167.1 | -161.6 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 60 | S | 53.3 | Low | 51.3 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 80 | 121.3 | 144.2 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 61 | G | 49.1 | Very low | 51.1 | Low | 77 Ų | 77 | 114.5 Ų | 114.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 160.8 | 97.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 62 | P | 56.1 | Low | 51.1 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -105.6 | 156.9 | 178.9 | 37.1 | -28.3 | 0 | 0 | 0 | 114.7 | ||||
| 63 | A | 46.5 | Very low | 50.8 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 60.7 | 119 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 64 | A | 44.3 | Very low | 51.3 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 177.5 | 123 | 116.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 65 | A | 50.6 | Low | 51.3 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -80.6 | -170.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 66 | P | 53.3 | Low | 51.4 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 58% | 0.578 | 82% | 0.817 | S | S | * | * | cis | -147.2 | -164.3 | 10 | 37.5 | -12.8 | 0 | 0 | 0 | 115.9 | ||||
| 67 | R | 49.9 | Very low | 51.7 | Low | 220 Ų | 220 | 110.2 Ų | 110.2 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | 65.9 | 147.5 | 150 | 71.3 | 172.8 | 168.1 | -102 | -6.9 | 117.9 | ||||
| 68 | S | 51 | Low | 51.6 | Low | 101 Ų | 101 | 109 Ų | 109 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | cis | 172.4 | 132.5 | -10 | 47.5 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 69 | S | 63 | Low | 51.3 | Low | 118 Ų | 118 | 107 Ų | 107 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 179.9 | 117.3 | 149.5 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 70 | D | 50.3 | Low | 50.8 | Low | 169 Ų | 169 | 105.3 Ų | 105.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -52.2 | 150.2 | 164.1 | -55.2 | -80.2 | 0 | 0 | 0 | 113 | ||||
| 71 | G | 50.8 | Low | 50.1 | Low | 80 Ų | 80 | 103.4 Ų | 103.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -178.4 | 92.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 72 | A | 55.3 | Low | 49.9 | Very low | 112 Ų | 112 | 104 Ų | 104 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -53.1 | 156.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 73 | G | 49.7 | Very low | 49.4 | Very low | 75 Ų | 75 | 105.1 Ų | 105.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 136 | 122.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 74 | A | 59.9 | Low | 49.2 | Very low | 105 Ų | 105 | 107 Ų | 107 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 90.5 | 109.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 75 | S | 56.8 | Low | 49.7 | Very low | 108 Ų | 108 | 106.7 Ų | 106.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 92.9 | 82.7 | 131.4 | -131.3 | 0 | 0 | 0 | 0 | 117 | S77 | S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.85Å | ||
| 76 | G | 45.8 | Very low | 49.9 | Very low | 86 Ų | 86 | 109.7 Ų | 109.7 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -60.4 | 94.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 77 | S | 53.9 | Low | 50.5 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 100 | 165 | -148.6 | 0 | 0 | 0 | 0 | 106.6 | S75 G79 | S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.85Å; S77-G79 PolarHBondContact O-N 2.98Å | ||
| 78 | G | 45.8 | Very low | 51.6 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | -61.3 | 89.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G80 | G78-G80 PolarHBondContact O-N 3.06Š| ||
| 79 | G | 41.8 | Very low | 53.4 | Low | 70 Ų | 70 | 105.5 Ų | 105.5 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -69 | 113.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | S77 G81 | S77-G79 PolarHBondContact O-N 2.98Å; G79-G81 PolarHBondContact O-N 2.92Å | ||
| 80 | G | 40.1 | Very low | 54.8 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -50.4 | 133.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | G78 S82 | G78-G80 PolarHBondContact O-N 3.06Å; G80-S82 PolarHBondContact O-N 2.98Å | ||
| 81 | G | 38 | Very low | 57 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -61.5 | 86.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | G79 D83 | G79-G81 PolarHBondContact O-N 2.92Å; G81-D83 PolarHBondContact O-N 3.13Å | ||
| 82 | S | 44.3 | Very low | 59.1 | Low | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -54.5 | 131 | 154.9 | -167.5 | 0 | 0 | 0 | 0 | 105.1 | G80 D84 | G80-S82 PolarHBondContact O-N 2.98Å; S82-D84 PolarHBondContact O-N 2.79Å | ||
| 83 | D | 46.2 | Very low | 61.1 | Low | 148 Ų | 148 | 96.1 Ų | 96.1 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | trans | -53.6 | 74.7 | 156.7 | -108.8 | -85.4 | 0 | 0 | 0 | 107.4 | G81 V85 | G81-D83 PolarHBondContact O-N 3.13Å; D83-V85 HydrophobicContact CB-CG2 4.33Å; D83-V85 PolarHBondContact O-N 3.26Å | ||
| 84 | D | 41.9 | Very low | 63.4 | Low | 139 Ų | 139 | 92.8 Ų | 92.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -69.4 | 74.1 | 155 | -89.7 | -67.9 | 0 | 0 | 0 | 104.2 | S82 Q86 | S82-D84 PolarHBondContact O-N 2.79Å; D84-Q86 PolarHBondContact O-N 3.28Å | ||
| 85 | V | 55 | Low | 65.2 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | trans | -53.9 | 95.8 | 155.2 | 178.5 | 0 | 0 | 0 | 0 | 102.9 | D83 V87 | D83-V85 HydrophobicContact CB-CG2 4.33Å; D83-V85 PolarHBondContact O-N 3.26Å; V85-V87 VanDerWaalsContact C-N 3.28Å; V85-V87 WeakPolarHBondContact O-CG2 3.49Å; V85-V87 PolarHBondContact O-N 3.39Å | ||
| 86 | Q | 54.7 | Low | 67.1 | Low | 156 Ų | 156 | 87.6 Ų | 87.6 | 73% | 0.729 | 56% | 0.562 | S | S | * | * | trans | -50.4 | 108.1 | 168.6 | -74.3 | -178.8 | 18.4 | 0 | 0 | 104 | D84 I88 | D84-Q86 PolarHBondContact O-N 3.28Å; Q86-I88 HydrophobicContact CB-CG1 4.42Å; Q86-I88 PolarHBondContact O-N 3.48Å | ||
| 87 | V | 66.6 | Low | 69.6 | Low | 135 Ų | 135 | 87 Ų | 87 | 82% | 0.818 | 54% | 0.541 | S | S | * | . | trans | -71 | 82 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 103.9 | V85 E89 | V85-V87 VanDerWaalsContact C-N 3.28Å; V85-V87 WeakPolarHBondContact O-CG2 3.49Å; V85-V87 PolarHBondContact O-N 3.39Å; V87-E89 PolarHBondContact O-N 3.09Å | ||
| 88 | I | 73.7 | Confident | 71.6 | Confident | 46 Ų | 46 | 82 Ų | 82 | 24% | 0.236 | 51% | 0.506 | C | S | . | . | trans | -63.6 | 110 | 172.2 | -60.9 | 173.7 | 0 | 0 | 0 | 103.5 | Q86 K90 A187 F192 | Q86-I88 HydrophobicContact CB-CG1 4.42Å; Q86-I88 PolarHBondContact O-N 3.48Å; I88-K90 WeakPolarHBondContact O-CG 3.38Å; I88-K90 PolarHBondContact O-N 2.82Å; I88-A187 HydrophobicContact CG2-CB 4.48Å; I88-F192 HydrophobicContact CB-CZ 4.47Å; I88-F192 HydrophobicContact CD1-CE1 4.45Å; I88-F192 HydrophobicContact CD1-CZ 4.08Å; I88-F192 HydrophobicContact CG2-CE2 4.1Å; I88-F192 HydrophobicContact CG2-CZ 3.84Å | ||
| 89 | E | 88.3 | Confident | 74 | Confident | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | trans | -59.7 | 125.3 | 172.3 | -168.4 | -177.8 | 176.4 | 0 | 0 | 106.7 | V87 A183 | V87-E89 PolarHBondContact O-N 3.09Å; E89-A183 HydrophobicContact CB-CB 3.82Å; E89-A183 HydrophobicContact CG-CB 3.69Å; E89-A183 WeakPolarHBondContact O-CA 3.3Å; E89-A183 VanDerWaalsContact O-CB 3.31Å; E89-A183 WeakPolarHBondContact O-CB 3.48Å; E89-A183 PolarHBondContact O-N 3.19Å | ||
| 90 | K | 92.9 | Very high | 76.6 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.3 | -177.9 | -62.5 | -177.3 | -174.1 | -176.6 | 0 | 108.6 | I88 C180 R181 F192 | I88-K90 WeakPolarHBondContact O-CG 3.38Å; I88-K90 PolarHBondContact O-N 2.82Å; K90-C180 HydrophobicContact CB-CB 4.13Å; K90-R181 CarbonylContact C-O 3.08Å; K90-R181 WeakPolarHBondContact CA-O 2.79Å; K90-F192 HydrophobicContact CD-CB 3.94Å; K90-F192 HydrophobicContact CD-CD1 4.09Å; K90-F192 HydrophobicContact CD-CD2 3.91Å; K90-F192 HydrophobicContact CD-CE2 4.47Å; K90-F192 HydrophobicContact CD-CG 3.71Å; K90-F192 HydrophobicContact CG-CD2 3.91Å; K90-F192 HydrophobicContact CG-CE2 4.15Å; K90-F192 HydrophobicContact CG-CG 4.24Å |
| 91 | E | 94.9 | Very high | 79.2 | Confident | 97 Ų | 97 | 81 Ų | 81 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.1 | 169.4 | -174.8 | -178.3 | -179.6 | 0 | 0 | 109.3 | M93 C180 R181 A183 | E91-M93 PolarHBondContact O-N 2.65Å; E91-C180 CarbonylContact O-C 3.54Å; E91-C180 VanDerWaalsContact O-CA 3.24Å; E91-C180 WeakPolarHBondContact O-CA 3.4Å; E91-C180 WeakPolarHBondContact O-CB 2.97Å; E91-R181 PolarHBondContact N-O 3.06Å; E91-R181 PolarHBondContact O-N 2.92Å; E91-A183 HydrophobicContact CB-CB 4.34Å |
| 92 | H | 96 | Very high | 82 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.5 | 176.4 | 178.9 | 70.6 | 0 | 0 | 0 | 111.1 | F94 D95 | H92-F94 PolarHBondContact CE1-O 2.77Å; H92-F94 WeakPolarHBondContact NE2-CA 3.4Å; H92-D95 IonicContact CE1-OD1 3.73Å; H92-D95 PolarHBondContact CE1-OD1 2.91Å; H92-D95 IonicContact NE2-OD1 3.16Å |
| 93 | M | 96.6 | Very high | 84.5 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 4% | 0.044 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -64.2 | 178.9 | -54.5 | 167.9 | 102.8 | 0 | 0 | 110.4 | E91 Y119 F120 F179 C180 R181 L191 | E91-M93 PolarHBondContact O-N 2.65Å; M93-Y119 HydrophobicContact CB-CD1 3.9Å; M93-Y119 HydrophobicContact CB-CD2 3.94Å; M93-Y119 HydrophobicContact CB-CE1 3.95Å; M93-Y119 HydrophobicContact CB-CE2 3.97Å; M93-Y119 HydrophobicContact CB-CG 3.89Å; M93-Y119 HydrophobicContact CE-CD1 3.87Å; M93-Y119 HydrophobicContact CE-CG 3.93Å; M93-Y119 HydrophobicContact CG-CD1 4.09Å; M93-Y119 HydrophobicContact CG-CE1 4.34Å; M93-Y119 HydrophobicContact CG-CG 4.38Å; M93-Y119 WeakPolarHBondContact O-CE2 3.37Å; M93-Y119 PolarHBondContact O-OH 2.9Å; M93-F120 HydrophobicContact CE-CD1 4.46Å; M93-F120 HydrophobicContact CE-CE1 3.77Å; M93-F120 HydrophobicContact CE-CZ 4.11Å; M93-F120 HydrophobicContact SD-CE1 4.23Å; M93-F120 HydrophobicContact SD-CZ 4.09Å; M93-F179 WeakPolarHBondContact CA-O 3.46Å; M93-F179 VanDerWaalsContact CB-O 3.27Å; M93-F179 WeakPolarHBondContact CB-O 3.16Å; M93-F179 PolarHBondContact N-O 3.47Å; M93-F179 HydrophobicContact SD-CB 4.46Å; M93-C180 VanDerWaalsContact SD-C 3.59Å; M93-R181 HydrophobicContact CE-CB 4.12Å; M93-R181 HydrophobicContact CG-CB 4.01Å; M93-R181 HydrophobicContact SD-CB 3.98Å; M93-L191 HydrophobicContact CE-CD2 4.13Å; M93-L191 HydrophobicContact SD-CD2 4.34Å |
| 94 | F | 97.8 | Very high | 86.5 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 2% | 0.022 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 161.2 | 178.5 | 66.5 | -81.4 | 0 | 0 | 0 | 112.6 | H92 K96 I111 H115 Y119 F120 F179 | H92-F94 PolarHBondContact CE1-O 2.77Å; H92-F94 WeakPolarHBondContact NE2-CA 3.4Å; F94-K96 HydrophobicContact CD2-CB 4.49Å; F94-K96 HydrophobicContact CE2-CB 4.26Å; F94-I111 HydrophobicContact CE2-CG2 4.32Å; F94-I111 HydrophobicContact CZ-CD1 4.46Å; F94-I111 HydrophobicContact CZ-CG2 4Å; F94-H115 HydrophobicContact CB-CB 4.26Å; F94-H115 HydrophobicContact CD1-CB 3.81Å; F94-H115 HydrophobicContact CD2-CB 4.01Å; F94-H115 AromaticContact CD2-CD2 3.61Å; F94-H115 AromaticContact CD2-CG 3.92Å; F94-H115 HydrophobicContact CE1-CB 4.12Å; F94-H115 HydrophobicContact CE2-CB 4.3Å; F94-H115 HydrophobicContact CG-CB 3.75Å; F94-H115 AromaticContact CG-CD2 3.74Å; F94-H115 AromaticContact CG-CG 3.66Å; F94-H115 HydrophobicContact CZ-CB 4.35Å; F94-Y119 HydrophobicContact CB-CE2 4.2Å; F94-Y119 AromaticContact CD1-CD2 3.58Å; F94-Y119 HydrophobicContact CD1-CD2 3.58Å; F94-Y119 AromaticContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CG 4.45Å; F94-Y119 HydrophobicContact CE1-CD2 4.22Å; F94-Y119 HydrophobicContact CG-CD2 4.48Å; F94-F120 HydrophobicContact CE1-CD2 4.35Å; F94-F120 AromaticContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CZ 4.13Å; F94-F120 AromaticContact CZ-CE2 3.82Å; F94-F120 HydrophobicContact CZ-CE2 3.82Å; F94-F179 HydrophobicContact CD1-CB 4.13Å; F94-F179 AromaticContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CE1-CB 3.77Å; F94-F179 AromaticContact CE1-CD2 3.95Å; F94-F179 HydrophobicContact CE1-CD2 3.95Å; F94-F179 AromaticContact CE1-CG 3.96Å; F94-F179 HydrophobicContact CE1-CG 3.96Å; F94-F179 AromaticContact CE2-CD2 3.31Å; F94-F179 HydrophobicContact CE2-CD2 3.31Å; F94-F179 AromaticContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CG 4.16Å; F94-F179 HydrophobicContact CZ-CB 4.02Å; F94-F179 HydrophobicContact CZ-CD1 4.49Å; F94-F179 AromaticContact CZ-CD2 3.28Å; F94-F179 HydrophobicContact CZ-CD2 3.28Å; F94-F179 AromaticContact CZ-CE2 3.81Å; F94-F179 HydrophobicContact CZ-CE2 3.81Å; F94-F179 AromaticContact CZ-CG 3.68Å; F94-F179 HydrophobicContact CZ-CG 3.68Å; F94-F179 PolarHBondContact N-O 2.67Å; F94-F179 PolarHBondContact O-N 3.28Å |
| 95 | D | 97.7 | Very high | 88.8 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.9 | 170.8 | -78.4 | -23.3 | 0 | 0 | 0 | 110.9 | H92 T176 S178 | H92-D95 IonicContact CE1-OD1 3.73Å; H92-D95 PolarHBondContact CE1-OD1 2.91Å; H92-D95 IonicContact NE2-OD1 3.16Å; D95-T176 HydrophobicContact CB-CG2 3.83Å; D95-S178 VanDerWaalsContact OD1-CB 3.24Å; D95-S178 WeakPolarHBondContact OD1-CB 3.36Å; D95-S178 PolarHBondContact OD1-OG 3.09Å |
| 96 | K | 97.3 | Very high | 90.3 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117 | 175 | 171.8 | 63.4 | -176.4 | -156.3 | 0 | 109.8 | F94 V98 D102 L109 V110 P112 T176 V177 F179 | F94-K96 HydrophobicContact CD2-CB 4.49Å; F94-K96 HydrophobicContact CE2-CB 4.26Å; K96-V98 PolarHBondContact O-N 2.98Å; K96-D102 WeakPolarHBondContact CE-OD2 3.3Å; K96-D102 IonicContact NZ-OD2 3.65Å; K96-L109 HydrophobicContact CG-CD1 3.94Å; K96-V110 VanDerWaalsContact CE-O 3.3Å; K96-V110 WeakPolarHBondContact CE-O 2.77Å; K96-V110 PolarHBondContact NZ-O 3.08Å; K96-P112 HydrophobicContact CD-CG 4.33Å; K96-T176 WeakPolarHBondContact O-CA 3.38Å; K96-V177 PolarHBondContact N-O 2.92Å; K96-V177 PolarHBondContact O-N 2.98Å; K96-F179 HydrophobicContact CB-CE2 4.28Å |
| 97 | V | 97.5 | Very high | 92 | Very high | 73 Ų | 73 | 67.4 Ų | 67.4 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.4 | 167.1 | -178 | 0 | 0 | 0 | 0 | 108.6 | T99 D175 | V97-T99 PolarHBondContact O-N 3.1Å; V97-D175 WeakPolarHBondContact CA-O 3.4Å |
| 98 | V | 97.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 125.4 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | K96 D102 V103 W162 G174 D175 V177 | K96-V98 PolarHBondContact O-N 2.98Å; V98-D102 HydrophobicContact CG1-CB 3.81Å; V98-V103 HydrophobicContact CG1-CB 4.32Å; V98-V103 HydrophobicContact CG1-CG1 3.28Å; V98-V103 HydrophobicContact CG1-CG2 4.36Å; V98-W162 HydrophobicContact CG1-CZ2 4.46Å; V98-W162 HydrophobicContact CG2-CH2 4.39Å; V98-G174 WeakPolarHBondContact O-CA 3.49Å; V98-G174 PolarHBondContact O-N 2.9Å; V98-D175 PolarHBondContact N-O 2.82Å; V98-V177 HydrophobicContact CG2-CG2 3.67Å |
| 99 | T | 96.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 162.7 | 178.4 | 66.1 | 0 | 0 | 0 | 0 | 111 | V97 S101 D102 V103 | V97-T99 PolarHBondContact O-N 3.1Å; T99-S101 PolarHBondContact O-N 3.37Å; T99-S101 VanDerWaalsContact O-N 3.14Å; T99-S101 PolarHBondContact OG1-OG 3.01Å; T99-D102 WeakPolarHBondContact CB-OD2 3.2Å; T99-D102 PolarHBondContact N-OD2 2.79Å; T99-D102 WeakPolarHBondContact O-CB 2.95Å; T99-D102 PolarHBondContact O-N 3.35Å; T99-D102 PolarHBondContact OG1-N 2.99Å; T99-D102 PolarHBondContact OG1-OD2 3.3Å; T99-V103 PolarHBondContact O-N 3.22Å |
| 100 | P | 96.2 | Very high | 95 | Very high | 98 Ų | 98 | 57.7 Ų | 57.7 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.7 | -29.1 | 173.8 | -26.5 | 35.2 | 0 | 0 | 0 | 114 | D102 G104 A173 | P100-D102 VanDerWaalsContact C-N 3.34Å; P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.3Å; P100-G104 PolarHBondContact O-N 3.23Å; P100-A173 HydrophobicContact CB-CB 4.41Å; P100-A173 HydrophobicContact CG-CB 3.98Å |
| 101 | S | 94.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 54 Ų | 54 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.8 | -25.6 | 173.6 | 41 | 0 | 0 | 0 | 0 | 113.6 | T99 | T99-S101 PolarHBondContact O-N 3.37Å; T99-S101 VanDerWaalsContact O-N 3.14Å; T99-S101 PolarHBondContact OG1-OG 3.01Å |
| 102 | D | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.6 | -40.7 | 179.7 | -60.2 | -53.8 | 0 | 0 | 0 | 111.2 | K96 V98 T99 P100 R108 L109 V110 W162 | K96-D102 WeakPolarHBondContact CE-OD2 3.3Å; K96-D102 IonicContact NZ-OD2 3.65Å; V98-D102 HydrophobicContact CG1-CB 3.81Å; T99-D102 WeakPolarHBondContact CB-OD2 3.2Å; T99-D102 PolarHBondContact N-OD2 2.79Å; T99-D102 WeakPolarHBondContact O-CB 2.95Å; T99-D102 PolarHBondContact O-N 3.35Å; T99-D102 PolarHBondContact OG1-N 2.99Å; T99-D102 PolarHBondContact OG1-OD2 3.3Å; P100-D102 VanDerWaalsContact C-N 3.34Å; D102-R108 WeakPolarHBondContact CA-O 3.27Å; D102-L109 HydrophobicContact CB-CD1 3.98Å; D102-V110 PolarHBondContact OD1-N 3.5Å; D102-W162 HydrophobicContact CB-CZ2 4.24Å; D102-W162 PolarHBondContact O-NE1 3.41Å |
| 103 | V | 95.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 24% | 0.242 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -94 | -4.1 | 176.7 | -71 | 0 | 0 | 0 | 0 | 114.1 | V98 T99 V166 L171 A173 | V98-V103 HydrophobicContact CG1-CB 4.32Å; V98-V103 HydrophobicContact CG1-CG1 3.28Å; V98-V103 HydrophobicContact CG1-CG2 4.36Å; T99-V103 PolarHBondContact O-N 3.22Å; V103-V166 HydrophobicContact CB-CG1 4.21Å; V103-V166 HydrophobicContact CG1-CG1 3.83Å; V103-V166 HydrophobicContact CG1-CG2 4.12Å; V103-L171 HydrophobicContact CG1-CB 4.26Å; V103-A173 HydrophobicContact CG2-CB 3.89Å |
| 104 | G | 90.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 59 Ų | 59 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -83.2 | -159 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | P100 L106 N107 | P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.3Å; P100-G104 PolarHBondContact O-N 3.23Å; G104-L106 PolarHBondContact O-N 3.34Å; G104-N107 PolarHBondContact O-N 3.35Å |
| 105 | K | 88.9 | Confident | 95.2 | Very high | 185 Ų | 185 | 60.9 Ų | 60.9 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.5 | -174.7 | -56.2 | -169.9 | 175.7 | -155.4 | 0 | 115.5 | N107 | K105-N107 VanDerWaalsContact C-N 3.28Š|
| 106 | L | 87.6 | Confident | 95.1 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 44% | 0.44 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.1 | -176.3 | -74.3 | 85.6 | 0 | 0 | 0 | 112.7 | G104 R108 | G104-L106 PolarHBondContact O-N 3.34Å; L106-R108 HydrophobicContact CB-CG 4Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-R108 PolarHBondContact O-NE 3.21Å |
| 107 | N | 89 | Confident | 95 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | 45.5 | 38.6 | 177.5 | -67.5 | -22.8 | 0 | 0 | 0 | 113 | G104 K105 | G104-N107 PolarHBondContact O-N 3.35Å; K105-N107 VanDerWaalsContact C-N 3.28Å | ||
| 108 | R | 96.2 | Very high | 94.9 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | trans | -145.1 | 144.7 | -177.9 | 71.9 | -168.1 | 67.3 | 168.2 | -2.2 | 111.6 | D102 L106 M158 T159 W162 | D102-R108 WeakPolarHBondContact CA-O 3.27Å; L106-R108 HydrophobicContact CB-CG 4Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-R108 PolarHBondContact O-NE 3.21Å; R108-M158 CarbonylContact C-O 3.49Å; R108-M158 VanDerWaalsContact CA-O 3.24Å; R108-M158 WeakPolarHBondContact CA-O 3.33Å; R108-T159 HydrophobicContact CB-CG2 4.29Å; R108-W162 VanDerWaalsContact C-CD1 3.48Å | ||
| 109 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.3 | 170.3 | -179.8 | 66.1 | 0 | 0 | 0 | 109.6 | K96 D102 I111 V157 M158 W162 F179 | K96-L109 HydrophobicContact CG-CD1 3.94Å; D102-L109 HydrophobicContact CB-CD1 3.98Å; L109-I111 HydrophobicContact CD2-CD1 3.65Å; L109-I111 HydrophobicContact CG-CD1 3.87Å; L109-V157 CarbonylContact O-C 3.49Å; L109-V157 WeakPolarHBondContact O-CA 3.24Å; L109-M158 HydrophobicContact CB-CB 4.28Å; L109-M158 HydrophobicContact CD2-SD 4.28Å; L109-M158 PolarHBondContact N-O 3.19Å; L109-M158 PolarHBondContact O-N 2.9Å; L109-W162 HydrophobicContact CB-CD2 3.72Å; L109-W162 HydrophobicContact CB-CE3 4.02Å; L109-W162 HydrophobicContact CB-CG 4.15Å; L109-W162 HydrophobicContact CB-CH2 4.39Å; L109-W162 HydrophobicContact CB-CZ2 4.12Å; L109-W162 HydrophobicContact CB-CZ3 4.34Å; L109-W162 HydrophobicContact CD1-CH2 3.92Å; L109-W162 HydrophobicContact CD1-CZ2 3.88Å; L109-W162 HydrophobicContact CD1-CZ3 4.45Å; L109-W162 HydrophobicContact CD2-CE3 4.09Å; L109-W162 HydrophobicContact CD2-CH2 4.11Å; L109-W162 HydrophobicContact CD2-CZ3 3.81Å; L109-W162 HydrophobicContact CG-CH2 4.37Å; L109-W162 HydrophobicContact CG-CZ2 4.43Å; L109-W162 HydrophobicContact CG-CZ3 4.43Å; L109-F179 HydrophobicContact CD2-CE2 4.22Å; L109-F179 HydrophobicContact CD2-CZ 3.69Å |
| 110 | V | 97.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.7 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | K96 D102 V157 | K96-V110 VanDerWaalsContact CE-O 3.3Å; K96-V110 WeakPolarHBondContact CE-O 2.77Å; K96-V110 PolarHBondContact NZ-O 3.08Å; D102-V110 PolarHBondContact OD1-N 3.5Å; V110-V157 HydrophobicContact CG2-CG1 4.16Å |
| 111 | I | 97.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.8 | 177.6 | -52.3 | -57.9 | 0 | 0 | 0 | 109.6 | F94 L109 K113 A116 Y147 Y156 M158 F179 | F94-I111 HydrophobicContact CE2-CG2 4.32Å; F94-I111 HydrophobicContact CZ-CD1 4.46Å; F94-I111 HydrophobicContact CZ-CG2 4Å; L109-I111 HydrophobicContact CD2-CD1 3.65Å; L109-I111 HydrophobicContact CG-CD1 3.87Å; I111-K113 PolarHBondContact O-N 3.11Å; I111-A116 HydrophobicContact CG2-CB 3.94Å; I111-Y147 HydrophobicContact CB-CE2 4.45Å; I111-Y147 HydrophobicContact CG1-CE2 4.11Å; I111-Y156 PolarHBondContact N-O 3.41Å; I111-M158 HydrophobicContact CD1-CE 3.86Å; I111-M158 HydrophobicContact CD1-CG 4.28Å; I111-M158 HydrophobicContact CD1-SD 4.1Å; I111-M158 HydrophobicContact CG1-CE 4.13Å; I111-M158 HydrophobicContact CG1-CG 4.22Å; I111-F179 HydrophobicContact CD1-CZ 4.46Å |
| 112 | P | 96.9 | Very high | 94 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 131.8 | 176 | -25.2 | 35 | 0 | 0 | 0 | 111.5 | K96 Q114 H115 A116 | K96-P112 HydrophobicContact CD-CG 4.33Å; P112-Q114 VanDerWaalsContact C-N 3.28Å; P112-Q114 HydrophobicContact CB-CG 4.39Å; P112-Q114 PolarHBondContact O-N 2.85Å; P112-Q114 VanDerWaalsContact O-N 3.15Å; P112-H115 PolarHBondContact O-N 3.05Å; P112-A116 PolarHBondContact O-N 3.27Å |
| 113 | K | 95.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 68.5 Ų | 68.5 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -48 | -47 | -175.5 | 178.4 | 172.5 | -176.6 | -176.7 | 0 | 113.5 | I111 H115 A116 E117 Y156 | I111-K113 PolarHBondContact O-N 3.11Å; K113-H115 PolarHBondContact O-N 3.36Å; K113-A116 PolarHBondContact O-N 3.48Å; K113-E117 VanDerWaalsContact CE-CD 3.48Å; K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 HydrophobicContact CG-CG 4.37Å; K113-E117 IonicContact NZ-OE1 3.54Å; K113-E117 PolarHBondContact O-N 3.3Å; K113-Y156 HydrophobicContact CG-CE2 4.1Å |
| 114 | Q | 96.7 | Very high | 92.5 | Very high | 141 Ų | 141 | 71.1 Ų | 71.1 | 66% | 0.659 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.6 | -31.4 | 179.6 | 62.7 | 178 | -76.9 | 0 | 0 | 113.8 | P112 K118 | P112-Q114 VanDerWaalsContact C-N 3.28Å; P112-Q114 HydrophobicContact CB-CG 4.39Å; P112-Q114 PolarHBondContact O-N 2.85Å; P112-Q114 VanDerWaalsContact O-N 3.15Å; Q114-K118 WeakPolarHBondContact O-CB 3.42Å |
| 115 | H | 96.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 74.1 Ų | 74.1 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -87.2 | -41.5 | 179.1 | -61.5 | -33.7 | 0 | 0 | 0 | 110.9 | F94 P112 K113 E117 K118 Y119 | F94-H115 HydrophobicContact CB-CB 4.26Å; F94-H115 HydrophobicContact CD1-CB 3.81Å; F94-H115 HydrophobicContact CD2-CB 4.01Å; F94-H115 AromaticContact CD2-CD2 3.61Å; F94-H115 AromaticContact CD2-CG 3.92Å; F94-H115 HydrophobicContact CE1-CB 4.12Å; F94-H115 HydrophobicContact CE2-CB 4.3Å; F94-H115 HydrophobicContact CG-CB 3.75Å; F94-H115 AromaticContact CG-CD2 3.74Å; F94-H115 AromaticContact CG-CG 3.66Å; F94-H115 HydrophobicContact CZ-CB 4.35Å; P112-H115 PolarHBondContact O-N 3.05Å; K113-H115 PolarHBondContact O-N 3.36Å; H115-E117 PolarHBondContact O-N 3.29Å; H115-K118 PolarHBondContact O-N 3.49Å; H115-Y119 HydrophobicContact CB-CD2 4.19Å; H115-Y119 WeakPolarHBondContact O-CB 3.12Å; H115-Y119 WeakPolarHBondContact O-CD2 3.34Å; H115-Y119 PolarHBondContact O-N 2.88Å |
| 116 | A | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -52 | -55.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I111 P112 K113 K118 Y119 F120 Y147 Y156 | I111-A116 HydrophobicContact CG2-CB 3.94Å; P112-A116 PolarHBondContact O-N 3.27Å; K113-A116 PolarHBondContact O-N 3.48Å; A116-K118 VanDerWaalsContact C-N 3.28Å; A116-K118 PolarHBondContact O-N 3.01Å; A116-Y119 PolarHBondContact O-N 2.94Å; A116-F120 CarbonylContact O-C 3.53Å; A116-F120 WeakPolarHBondContact O-CA 3.4Å; A116-F120 PolarHBondContact O-N 2.95Å; A116-Y147 WeakPolarHBondContact CB-OH 3.38Å; A116-Y156 HydrophobicContact CB-CD1 3.81Å; A116-Y156 HydrophobicContact CB-CD2 3.48Å; A116-Y156 VanDerWaalsContact CB-CD2 3.48Å; A116-Y156 HydrophobicContact CB-CE1 4.23Å; A116-Y156 HydrophobicContact CB-CE2 3.97Å; A116-Y156 HydrophobicContact CB-CG 3.4Å |
| 117 | E | 94.6 | Very high | 90.6 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | -177 | -68.1 | 176.9 | 162.8 | 0 | 0 | 113.1 | K113 H115 Y156 | K113-E117 VanDerWaalsContact CE-CD 3.48Å; K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 HydrophobicContact CG-CG 4.37Å; K113-E117 IonicContact NZ-OE1 3.54Å; K113-E117 PolarHBondContact O-N 3.3Å; H115-E117 PolarHBondContact O-N 3.29Å; E117-Y156 HydrophobicContact CG-CE2 4.3Å |
| 118 | K | 94.9 | Very high | 90.2 | Very high | 144 Ų | 144 | 69.7 Ų | 69.7 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -79.5 | -40.2 | -178.7 | -175.2 | 179.4 | 176.6 | -162.9 | 0 | 112.8 | Q114 H115 A116 | Q114-K118 WeakPolarHBondContact O-CB 3.42Å; H115-K118 PolarHBondContact O-N 3.49Å; A116-K118 VanDerWaalsContact C-N 3.28Å; A116-K118 PolarHBondContact O-N 3.01Å |
| 119 | Y | 94.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 20% | 0.2 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -113.1 | -27.9 | -165.1 | -66.9 | -53.8 | 0 | 0 | 0 | 113.8 | M93 F94 H115 A116 | M93-Y119 HydrophobicContact CB-CD1 3.9Å; M93-Y119 HydrophobicContact CB-CD2 3.94Å; M93-Y119 HydrophobicContact CB-CE1 3.95Å; M93-Y119 HydrophobicContact CB-CE2 3.97Å; M93-Y119 HydrophobicContact CB-CG 3.89Å; M93-Y119 HydrophobicContact CE-CD1 3.87Å; M93-Y119 HydrophobicContact CE-CG 3.93Å; M93-Y119 HydrophobicContact CG-CD1 4.09Å; M93-Y119 HydrophobicContact CG-CE1 4.34Å; M93-Y119 HydrophobicContact CG-CG 4.38Å; M93-Y119 WeakPolarHBondContact O-CE2 3.37Å; M93-Y119 PolarHBondContact O-OH 2.9Å; F94-Y119 HydrophobicContact CB-CE2 4.2Å; F94-Y119 AromaticContact CD1-CD2 3.58Å; F94-Y119 HydrophobicContact CD1-CD2 3.58Å; F94-Y119 AromaticContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CG 4.45Å; F94-Y119 HydrophobicContact CE1-CD2 4.22Å; F94-Y119 HydrophobicContact CG-CD2 4.48Å; H115-Y119 HydrophobicContact CB-CD2 4.19Å; H115-Y119 WeakPolarHBondContact O-CB 3.12Å; H115-Y119 WeakPolarHBondContact O-CD2 3.34Å; H115-Y119 PolarHBondContact O-N 2.88Å; A116-Y119 PolarHBondContact O-N 2.94Å |
| 120 | F | 92.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -132.2 | 68.8 | -179.6 | -51.4 | -55.3 | 0 | 0 | 0 | 109.8 | M93 F94 A116 L122 L133 F135 Y147 M158 F179 L191 | M93-F120 HydrophobicContact CE-CD1 4.46Å; M93-F120 HydrophobicContact CE-CE1 3.77Å; M93-F120 HydrophobicContact CE-CZ 4.11Å; M93-F120 HydrophobicContact SD-CE1 4.23Å; M93-F120 HydrophobicContact SD-CZ 4.09Å; F94-F120 HydrophobicContact CE1-CD2 4.35Å; F94-F120 AromaticContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CZ 4.13Å; F94-F120 AromaticContact CZ-CE2 3.82Å; F94-F120 HydrophobicContact CZ-CE2 3.82Å; A116-F120 CarbonylContact O-C 3.53Å; A116-F120 WeakPolarHBondContact O-CA 3.4Å; A116-F120 PolarHBondContact O-N 2.95Å; F120-L122 PolarHBondContact O-N 3.29Å; F120-L133 HydrophobicContact CB-CD1 4.41Å; F120-L133 HydrophobicContact CD1-CD1 3.9Å; F120-L133 HydrophobicContact CD1-CD2 4.46Å; F120-L133 HydrophobicContact CD2-CD1 4.41Å; F120-L133 HydrophobicContact CE1-CD1 4.27Å; F120-L133 HydrophobicContact CG-CD1 4Å; F120-F135 HydrophobicContact CE1-CE1 4.12Å; F120-F135 AromaticContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE2-CZ 4.35Å; F120-F135 AromaticContact CZ-CE1 3.81Å; F120-F135 HydrophobicContact CZ-CE1 3.81Å; F120-F135 AromaticContact CZ-CZ 3.54Å; F120-F135 HydrophobicContact CZ-CZ 3.54Å; F120-Y147 HydrophobicContact CB-CD1 4.23Å; F120-Y147 HydrophobicContact CB-CE1 3.49Å; F120-Y147 VanDerWaalsContact CB-CE1 3.49Å; F120-Y147 WeakPolarHBondContact O-CE1 3.49Å; F120-Y147 PolarHBondContact O-OH 3.11Å; F120-M158 HydrophobicContact CD2-CE 4.44Å; F120-M158 HydrophobicContact CE2-CE 4.04Å; F120-F179 HydrophobicContact CZ-CD1 4.49Å; F120-L191 HydrophobicContact CE1-CD1 4.02Å; F120-L191 HydrophobicContact CE1-CD2 4.19Å |
| 121 | P | 90.3 | Very high | 89 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 127.6 | 176 | 25.7 | -33.3 | 0 | 0 | 0 | 109.9 | Q131 | P121-Q131 PolarHBondContact O-OE1 2.88Š|
| 122 | L | 88.2 | Confident | 88.9 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 18% | 0.183 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -97 | 126 | 174.3 | -77.7 | 175.2 | 0 | 0 | 0 | 109.7 | F120 Q131 Y147 Y156 | F120-L122 PolarHBondContact O-N 3.29Å; L122-Q131 HydrophobicContact CD2-CB 3.76Å; L122-Y147 HydrophobicContact CD1-CD1 4.13Å; L122-Y147 HydrophobicContact CD1-CE1 3.71Å; L122-Y147 HydrophobicContact CD2-CD1 3.49Å; L122-Y147 VanDerWaalsContact CD2-CD1 3.49Å; L122-Y147 HydrophobicContact CD2-CE1 3.6Å; L122-Y147 HydrophobicContact CG-CD1 3.87Å; L122-Y147 HydrophobicContact CG-CE1 3.41Å; L122-Y147 VanDerWaalsContact CG-CE1 3.41Å; L122-Y156 HydrophobicContact CD1-CD1 3.66Å; L122-Y156 HydrophobicContact CD1-CE1 3.73Å; L122-Y156 HydrophobicContact CG-CE1 4.38Å |
| 123 | D | 83.2 | Confident | 88.8 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 135.6 | 167 | -65.5 | -35.3 | 0 | 0 | 0 | 109.7 | A125 A126 N127 | D123-A125 PolarHBondContact O-N 3.27Å; D123-A125 VanDerWaalsContact O-N 3.13Å; D123-A126 HydrophobicContact CB-CB 4.04Å; D123-A126 PolarHBondContact O-N 2.81Å; D123-N127 PolarHBondContact O-N 3.41Å; D123-N127 VanDerWaalsContact O-N 3.16Å |
| 124 | A | 77.7 | Confident | 88.9 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 79% | 0.793 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 125 | A | 75.2 | Confident | 88.9 | Confident | 90 Ų | 90 | 67 Ų | 67 | 74% | 0.744 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -32.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D123 N127 | D123-A125 PolarHBondContact O-N 3.27Å; D123-A125 VanDerWaalsContact O-N 3.13Å; A125-N127 VanDerWaalsContact C-N 3.3Å |
| 126 | A | 74 | Confident | 89 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -76.4 | -20 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | D123 E128 K129 G130 | D123-A126 HydrophobicContact CB-CB 4.04Å; D123-A126 PolarHBondContact O-N 2.81Å; A126-E128 VanDerWaalsContact C-N 3.28Å; A126-E128 PolarHBondContact O-N 3.39Å; A126-K129 PolarHBondContact O-N 3.43Å; A126-G130 CarbonylContact O-C 3.56Å; A126-G130 WeakPolarHBondContact O-CA 3.48Å; A126-G130 PolarHBondContact O-N 2.81Å |
| 127 | N | 79 | Confident | 89 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -64.2 | -28.9 | -174.9 | -168.2 | 47.8 | 0 | 0 | 0 | 114 | D123 A125 K129 G130 Y149 | D123-N127 PolarHBondContact O-N 3.41Å; D123-N127 VanDerWaalsContact O-N 3.16Å; A125-N127 VanDerWaalsContact C-N 3.3Å; N127-K129 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.82Å; N127-G130 PolarHBondContact O-N 2.87Å; N127-Y149 PolarHBondContact ND2-O 2.74Å; N127-Y149 VanDerWaalsContact ND2-O 3.13Å; N127-Y149 WeakPolarHBondContact OD1-CA 3.43Å; N127-Y149 WeakPolarHBondContact OD1-CB 3.31Å; N127-Y149 PolarHBondContact OD1-N 2.91Å; N127-Y149 PolarHBondContact OD1-O 2.72Å |
| 128 | E | 80.5 | Confident | 88.9 | Confident | 182 Ų | 182 | 70.8 Ų | 70.8 | 85% | 0.85 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -64.2 | -37.8 | -178.3 | -65.2 | -171.3 | 169 | 0 | 0 | 112.8 | A126 | A126-E128 VanDerWaalsContact C-N 3.28Å; A126-E128 PolarHBondContact O-N 3.39Å |
| 129 | K | 84.3 | Confident | 88.9 | Confident | 169 Ų | 169 | 67.6 Ų | 67.6 | 74% | 0.735 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -17.4 | 177.2 | -64.4 | 178 | -175.8 | -76.7 | 0 | 111.9 | A126 N127 R146 | A126-K129 PolarHBondContact O-N 3.43Å; N127-K129 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.82Å; K129-R146 PolarHBondContact O-NH1 2.76Å |
| 130 | G | 88 | Confident | 88.9 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | trans | 78.2 | 147.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A126 N127 Y147 S148 | A126-G130 CarbonylContact O-C 3.56Å; A126-G130 WeakPolarHBondContact O-CA 3.48Å; A126-G130 PolarHBondContact O-N 2.81Å; N127-G130 PolarHBondContact O-N 2.87Å; G130-Y147 CarbonylContact C-O 3.44Å; G130-Y147 WeakPolarHBondContact CA-O 3.37Å; G130-S148 VanDerWaalsContact CA-OG 3.28Å; G130-S148 WeakPolarHBondContact CA-OG 3.35Å | ||
| 131 | Q | 93.5 | Very high | 89.1 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 135.9 | 173.8 | -179.1 | 178.5 | -3 | 0 | 0 | 109.6 | P121 L122 L133 Y147 | P121-Q131 PolarHBondContact O-OE1 2.88Å; L122-Q131 HydrophobicContact CD2-CB 3.76Å; Q131-L133 HydrophobicContact CG-CD2 3.98Å; Q131-Y147 HydrophobicContact CB-CD1 4.48Å; Q131-Y147 PolarHBondContact N-O 3.48Å; Q131-Y147 WeakPolarHBondContact O-CA 3.48Å; Q131-Y147 WeakPolarHBondContact O-CB 3.41Å; Q131-Y147 PolarHBondContact O-N 3.23Å |
| 132 | L | 94.6 | Very high | 89.4 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.4 | 174.2 | -163.3 | 69.3 | 0 | 0 | 0 | 109.9 | R144 | L132-R144 HydrophobicContact CD1-CB 4.24Å; L132-R144 VanDerWaalsContact CD2-NE 3.31Å; L132-R144 HydrophobicContact CG-CB 4.38Å |
| 133 | L | 95.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.5 | 178.7 | -60.8 | 178.5 | 0 | 0 | 0 | 110 | F120 Q131 F135 R144 F145 Y147 M158 L191 | F120-L133 HydrophobicContact CB-CD1 4.41Å; F120-L133 HydrophobicContact CD1-CD1 3.9Å; F120-L133 HydrophobicContact CD1-CD2 4.46Å; F120-L133 HydrophobicContact CD2-CD1 4.41Å; F120-L133 HydrophobicContact CE1-CD1 4.27Å; F120-L133 HydrophobicContact CG-CD1 4Å; Q131-L133 HydrophobicContact CG-CD2 3.98Å; L133-F135 HydrophobicContact CB-CD2 4.18Å; L133-F135 HydrophobicContact CB-CE2 3.44Å; L133-F135 VanDerWaalsContact CB-CE2 3.44Å; L133-F135 HydrophobicContact CB-CZ 4.15Å; L133-F135 HydrophobicContact CD1-CE2 4.08Å; L133-F135 HydrophobicContact CD1-CZ 4.14Å; L133-F135 HydrophobicContact CG-CE2 4.41Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.28Å; L133-F145 PolarHBondContact N-O 2.98Å; L133-F145 PolarHBondContact O-N 2.95Å; L133-Y147 HydrophobicContact CD1-CD1 3.87Å; L133-Y147 HydrophobicContact CD1-CD2 4.47Å; L133-Y147 HydrophobicContact CD1-CG 3.79Å; L133-Y147 HydrophobicContact CG-CD1 4.48Å; L133-Y147 HydrophobicContact CG-CG 4.48Å; L133-M158 HydrophobicContact CD1-CE 4.01Å; L133-L191 HydrophobicContact CB-CD1 4.43Å; L133-L191 HydrophobicContact CD2-CD1 4.26Å |
| 134 | S | 97 | Very high | 90.5 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.4 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | W143 | S134-W143 CarbonylContact C-O 3.54Å; S134-W143 WeakPolarHBondContact CA-O 3.34Å |
| 135 | F | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.2 | -179.5 | -64.8 | -95.6 | 0 | 0 | 0 | 111.6 | F120 L133 L142 W143 F145 M158 F179 L191 I193 | F120-F135 HydrophobicContact CE1-CE1 4.12Å; F120-F135 AromaticContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE2-CZ 4.35Å; F120-F135 AromaticContact CZ-CE1 3.81Å; F120-F135 HydrophobicContact CZ-CE1 3.81Å; F120-F135 AromaticContact CZ-CZ 3.54Å; F120-F135 HydrophobicContact CZ-CZ 3.54Å; L133-F135 HydrophobicContact CB-CD2 4.18Å; L133-F135 HydrophobicContact CB-CE2 3.44Å; L133-F135 VanDerWaalsContact CB-CE2 3.44Å; L133-F135 HydrophobicContact CB-CZ 4.15Å; L133-F135 HydrophobicContact CD1-CE2 4.08Å; L133-F135 HydrophobicContact CD1-CZ 4.14Å; L133-F135 HydrophobicContact CG-CE2 4.41Å; F135-L142 CarbonylContact O-C 3.57Å; F135-L142 WeakPolarHBondContact O-CA 3.29Å; F135-W143 PolarHBondContact N-O 2.92Å; F135-W143 PolarHBondContact O-N 2.75Å; F135-F145 HydrophobicContact CB-CE2 4.46Å; F135-F145 AromaticContact CD2-CD2 3.48Å; F135-F145 HydrophobicContact CD2-CD2 3.48Å; F135-F145 VanDerWaalsContact CD2-CD2 3.48Å; F135-F145 AromaticContact CD2-CE2 3.77Å; F135-F145 HydrophobicContact CD2-CE2 3.77Å; F135-F145 AromaticContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CE2 4.39Å; F135-F145 HydrophobicContact CG-CD2 4.48Å; F135-F145 HydrophobicContact CG-CE2 4.38Å; F135-M158 HydrophobicContact CE2-CE 4.11Å; F135-M158 HydrophobicContact CZ-CE 4.06Å; F135-F179 HydrophobicContact CD1-CD1 4.09Å; F135-F179 AromaticContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CE1 4.23Å; F135-F179 AromaticContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CE1 4.18Å; F135-L191 CarbonylContact C-O 3.59Å; F135-L191 WeakPolarHBondContact CA-O 3.4Å; F135-L191 HydrophobicContact CD1-CB 3.38Å; F135-L191 HydrophobicContact CD1-CD1 4.4Å; F135-L191 HydrophobicContact CD1-CG 4.48Å; F135-L191 HydrophobicContact CE1-CB 3.52Å; F135-L191 HydrophobicContact CE1-CD1 3.86Å; F135-L191 HydrophobicContact CE1-CG 4.19Å; F135-L191 HydrophobicContact CE2-CD1 4.32Å; F135-L191 HydrophobicContact CG-CB 4.03Å; F135-L191 HydrophobicContact CZ-CB 4.3Å; F135-L191 HydrophobicContact CZ-CD1 3.83Å; F135-I193 HydrophobicContact CB-CB 3.78Å; F135-I193 HydrophobicContact CB-CG2 3.62Å; F135-I193 HydrophobicContact CD1-CB 4.28Å; F135-I193 HydrophobicContact CG-CB 4.24Å |
| 136 | E | 97.5 | Very high | 92.4 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.6 | 173.4 | -170.2 | -173.3 | 153.7 | 0 | 0 | 111.2 | L142 L191 F192 I193 | E136-L142 HydrophobicContact CB-CD1 4.33Å; E136-L191 PolarHBondContact N-O 3.06Å; E136-F192 HydrophobicContact CB-CD1 3.75Å; E136-F192 HydrophobicContact CB-CE1 3.98Å; E136-F192 HydrophobicContact CG-CD1 4.37Å; E136-F192 HydrophobicContact CG-CE1 4.38Å; E136-F192 CarbonylContact O-C 3.59Å; E136-F192 WeakPolarHBondContact O-CA 3.26Å; E136-F192 WeakPolarHBondContact O-CB 3.43Å; E136-I193 PolarHBondContact O-N 2.81Å |
| 137 | D | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 160.1 | 176.1 | 178.1 | -13.8 | 0 | 0 | 0 | 111.7 | A139 G140 K141 K169 I193 W195 | D137-A139 PolarHBondContact O-N 3.24Å; D137-A139 PolarHBondContact OD1-N 3.43Å; D137-G140 PolarHBondContact O-N 3.39Å; D137-K141 HydrophobicContact CB-CB 4.39Å; D137-K141 WeakPolarHBondContact CB-O 3.42Å; D137-K141 PolarHBondContact N-O 3.12Å; D137-K169 WeakPolarHBondContact OD2-CE 3.39Å; D137-K169 IonicContact OD2-NZ 3.63Å; D137-K169 PolarHBondContact OD2-NZ 3.1Å; D137-I193 WeakPolarHBondContact CA-O 3.28Å; D137-W195 HydrophobicContact CB-CZ3 4.44Å; D137-W195 VanDerWaalsContact CG-CH2 3.46Å; D137-W195 WeakPolarHBondContact OD1-CH2 3.47Å; D137-W195 WeakPolarHBondContact OD1-CZ3 3.17Å; D137-W195 WeakPolarHBondContact OD2-CH2 3.35Å; D137-W195 VanDerWaalsContact OD2-CZ3 3.28Å; D137-W195 WeakPolarHBondContact OD2-CZ3 3.5Å |
| 138 | R | 93.3 | Very high | 94.3 | Very high | 164 Ų | 164 | 61.6 Ų | 61.6 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -23.8 | 163.2 | 58 | 171 | -172.2 | -159 | 5.1 | 115 | G140 D194 W195 | R138-G140 VanDerWaalsContact C-N 3.31Å; R138-D194 WeakPolarHBondContact CB-OD1 3.44Å; R138-W195 HydrophobicContact CG-CH2 4.11Å; R138-W195 HydrophobicContact CG-CZ3 4.3Å |
| 139 | A | 94.3 | Very high | 95 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D137 K141 | D137-A139 PolarHBondContact O-N 3.24Å; D137-A139 PolarHBondContact OD1-N 3.43Å; A139-K141 PolarHBondContact O-N 3.08Å |
| 140 | G | 94 | Very high | 95.4 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 46% | 0.464 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 76.6 | 3.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D137 R138 | D137-G140 PolarHBondContact O-N 3.39Å; R138-G140 VanDerWaalsContact C-N 3.31Å |
| 141 | K | 96.7 | Very high | 95.6 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | trans | -78.2 | 133.3 | 179.1 | -178.6 | 168.7 | 177.9 | 169.2 | 0 | 110.9 | D137 A139 W143 E168 | D137-K141 HydrophobicContact CB-CB 4.39Å; D137-K141 WeakPolarHBondContact CB-O 3.42Å; D137-K141 PolarHBondContact N-O 3.12Å; A139-K141 PolarHBondContact O-N 3.08Å; K141-W143 HydrophobicContact CD-CH2 4.43Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CG-CZ2 4.36Å; K141-E168 WeakPolarHBondContact CD-OE1 3.38Å; K141-E168 VanDerWaalsContact NZ-CD 3.29Å; K141-E168 IonicContact NZ-OE1 3.64Å; K141-E168 PolarHBondContact NZ-OE1 3.33Å; K141-E168 IonicContact NZ-OE2 3.8Å; K141-E168 PolarHBondContact NZ-OE2 2.97Å | ||
| 142 | L | 97.1 | Very high | 95.6 | Very high | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.1 | 176.9 | -157.4 | 71 | 0 | 0 | 0 | 111.4 | F135 E136 | F135-L142 CarbonylContact O-C 3.57Å; F135-L142 WeakPolarHBondContact O-CA 3.29Å; E136-L142 HydrophobicContact CB-CD1 4.33Å |
| 143 | W | 97.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.9 | 179.6 | -65.6 | 95.5 | 0 | 0 | 0 | 109.5 | S134 F135 K141 F145 R164 F165 E168 I193 | S134-W143 CarbonylContact C-O 3.54Å; S134-W143 WeakPolarHBondContact CA-O 3.34Å; F135-W143 PolarHBondContact N-O 2.92Å; F135-W143 PolarHBondContact O-N 2.75Å; K141-W143 HydrophobicContact CD-CH2 4.43Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CG-CZ2 4.36Å; W143-F145 HydrophobicContact CB-CE1 4.36Å; W143-F145 HydrophobicContact CB-CE2 3.78Å; W143-F145 HydrophobicContact CB-CZ 3.63Å; W143-F145 HydrophobicContact CG-CZ 4.31Å; W143-R164 HydrophobicContact CH2-CG 4.45Å; W143-R164 HydrophobicContact CZ3-CB 4.09Å; W143-R164 HydrophobicContact CZ3-CG 3.9Å; W143-F165 HydrophobicContact CD2-CB 4.36Å; W143-F165 AromaticContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CE2 4.28Å; W143-F165 HydrophobicContact CD2-CG 4.39Å; W143-F165 AromaticContact CE2-CD2 3.49Å; W143-F165 VanDerWaalsContact CE2-CD2 3.49Å; W143-F165 HydrophobicContact CE3-CB 3.8Å; W143-F165 AromaticContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CG 4.31Å; W143-F165 AromaticContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CE2 4.4Å; W143-F165 HydrophobicContact CH2-CB 4.33Å; W143-F165 HydrophobicContact CH2-CD2 4.1Å; W143-F165 AromaticContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CE2 4.46Å; W143-F165 HydrophobicContact CZ3-CB 3.79Å; W143-F165 HydrophobicContact CZ3-CD2 4.12Å; W143-F165 HydrophobicContact CZ3-CG 4.48Å; W143-F165 AromaticContact NE1-CD2 3.87Å; W143-F165 AromaticContact NE1-CE2 3.92Å; W143-E168 HydrophobicContact CH2-CB 3.83Å; W143-E168 VanDerWaalsContact CH2-CD 3.48Å; W143-E168 HydrophobicContact CH2-CG 4.21Å; W143-E168 VanDerWaalsContact CH2-OE2 3.3Å; W143-E168 WeakPolarHBondContact CH2-OE2 3.48Å; W143-E168 HydrophobicContact CZ2-CB 4.43Å; W143-E168 HydrophobicContact CZ2-CG 4.45Å; W143-E168 WeakPolarHBondContact CZ2-OE1 3.42Å; W143-I193 HydrophobicContact CG-CG2 4.48Å |
| 144 | R | 97.2 | Very high | 95.5 | Very high | 114 Ų | 114 | 65 Ų | 65 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.6 | -179.9 | -64.2 | 173.7 | 76 | -178.1 | -2.9 | 109 | L132 L133 | L132-R144 HydrophobicContact CD1-CB 4.24Å; L132-R144 VanDerWaalsContact CD2-NE 3.31Å; L132-R144 HydrophobicContact CG-CB 4.38Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.28Å |
| 145 | F | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.2 | 179.2 | -56.9 | -61 | 0 | 0 | 0 | 111.5 | L133 F135 W143 Y147 M158 K160 G161 W162 F165 I193 | L133-F145 PolarHBondContact N-O 2.98Å; L133-F145 PolarHBondContact O-N 2.95Å; F135-F145 HydrophobicContact CB-CE2 4.46Å; F135-F145 AromaticContact CD2-CD2 3.48Å; F135-F145 HydrophobicContact CD2-CD2 3.48Å; F135-F145 VanDerWaalsContact CD2-CD2 3.48Å; F135-F145 AromaticContact CD2-CE2 3.77Å; F135-F145 HydrophobicContact CD2-CE2 3.77Å; F135-F145 AromaticContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CE2 4.39Å; F135-F145 HydrophobicContact CG-CD2 4.48Å; F135-F145 HydrophobicContact CG-CE2 4.38Å; W143-F145 HydrophobicContact CB-CE1 4.36Å; W143-F145 HydrophobicContact CB-CE2 3.78Å; W143-F145 HydrophobicContact CB-CZ 3.63Å; W143-F145 HydrophobicContact CG-CZ 4.31Å; F145-Y147 PolarHBondContact O-N 3.42Å; F145-M158 HydrophobicContact CB-CB 4.15Å; F145-M158 HydrophobicContact CB-CG 4.23Å; F145-M158 HydrophobicContact CB-SD 4.12Å; F145-M158 HydrophobicContact CD2-SD 4.03Å; F145-M158 HydrophobicContact CG-SD 4.17Å; F145-K160 VanDerWaalsContact CA-O 3.28Å; F145-K160 WeakPolarHBondContact CA-O 3.47Å; F145-G161 WeakPolarHBondContact CE1-O 3.27Å; F145-W162 HydrophobicContact CD1-CB 4.41Å; F145-W162 HydrophobicContact CE1-CB 4.49Å; F145-F165 HydrophobicContact CE1-CB 4.05Å; F145-F165 HydrophobicContact CZ-CB 4.08Å; F145-F165 HydrophobicContact CZ-CD2 4.43Å; F145-F165 HydrophobicContact CZ-CG 4.16Å; F145-I193 HydrophobicContact CE2-CD1 3.79Å; F145-I193 HydrophobicContact CZ-CD1 4.03Å |
| 146 | R | 95.7 | Very high | 95.4 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.3 | 168.2 | -174.4 | -175.1 | -60 | -88.3 | -0.1 | 109.1 | K129 M158 T159 K160 | K129-R146 PolarHBondContact O-NH1 2.76Å; R146-M158 CarbonylContact O-C 3.57Å; R146-M158 WeakPolarHBondContact O-CA 3.11Å; R146-T159 PolarHBondContact O-N 3.48Å; R146-T159 PolarHBondContact O-OG1 3.29Å; R146-T159 VanDerWaalsContact O-OG1 3.11Å; R146-K160 HydrophobicContact CB-CB 3.94Å; R146-K160 PolarHBondContact N-O 2.7Å |
| 147 | Y | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.7 | -179.3 | 177.3 | -120.9 | 0 | 0 | 0 | 110.9 | I111 A116 F120 L122 G130 Q131 L133 F145 Y156 V157 M158 | I111-Y147 HydrophobicContact CB-CE2 4.45Å; I111-Y147 HydrophobicContact CG1-CE2 4.11Å; A116-Y147 WeakPolarHBondContact CB-OH 3.38Å; F120-Y147 HydrophobicContact CB-CD1 4.23Å; F120-Y147 HydrophobicContact CB-CE1 3.49Å; F120-Y147 VanDerWaalsContact CB-CE1 3.49Å; F120-Y147 WeakPolarHBondContact O-CE1 3.49Å; F120-Y147 PolarHBondContact O-OH 3.11Å; L122-Y147 HydrophobicContact CD1-CD1 4.13Å; L122-Y147 HydrophobicContact CD1-CE1 3.71Å; L122-Y147 HydrophobicContact CD2-CD1 3.49Å; L122-Y147 VanDerWaalsContact CD2-CD1 3.49Å; L122-Y147 HydrophobicContact CD2-CE1 3.6Å; L122-Y147 HydrophobicContact CG-CD1 3.87Å; L122-Y147 HydrophobicContact CG-CE1 3.41Å; L122-Y147 VanDerWaalsContact CG-CE1 3.41Å; G130-Y147 CarbonylContact C-O 3.44Å; G130-Y147 WeakPolarHBondContact CA-O 3.37Å; Q131-Y147 HydrophobicContact CB-CD1 4.48Å; Q131-Y147 PolarHBondContact N-O 3.48Å; Q131-Y147 WeakPolarHBondContact O-CA 3.48Å; Q131-Y147 WeakPolarHBondContact O-CB 3.41Å; Q131-Y147 PolarHBondContact O-N 3.23Å; L133-Y147 HydrophobicContact CD1-CD1 3.87Å; L133-Y147 HydrophobicContact CD1-CD2 4.47Å; L133-Y147 HydrophobicContact CD1-CG 3.79Å; L133-Y147 HydrophobicContact CG-CD1 4.48Å; L133-Y147 HydrophobicContact CG-CG 4.48Å; F145-Y147 PolarHBondContact O-N 3.42Å; Y147-Y156 HydrophobicContact CE2-CD1 4.23Å; Y147-Y156 AromaticContact CZ-CD1 3.73Å; Y147-Y156 WeakPolarHBondContact OH-CD1 3.47Å; Y147-V157 WeakPolarHBondContact CA-O 3.24Å; Y147-V157 WeakPolarHBondContact CD2-O 3.47Å; Y147-M158 HydrophobicContact CD2-CG 4.01Å |
| 148 | S | 95 | Very high | 95.4 | Very high | 13 Ų | 13 | 63 Ų | 63 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 153.7 | -175.2 | -50.9 | 0 | 0 | 0 | 0 | 112 | G130 V157 | G130-S148 VanDerWaalsContact CA-OG 3.28Å; G130-S148 WeakPolarHBondContact CA-OG 3.35Å; S148-V157 PolarHBondContact N-O 2.87Å; S148-V157 PolarHBondContact O-N 3.11Å |
| 149 | Y | 95.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.9 | 168.8 | -179.2 | -103 | 0 | 0 | 0 | 110.3 | N127 Q154 Y156 | N127-Y149 PolarHBondContact ND2-O 2.74Å; N127-Y149 VanDerWaalsContact ND2-O 3.13Å; N127-Y149 WeakPolarHBondContact OD1-CA 3.43Å; N127-Y149 WeakPolarHBondContact OD1-CB 3.31Å; N127-Y149 PolarHBondContact OD1-N 2.91Å; N127-Y149 PolarHBondContact OD1-O 2.72Å; Y149-Q154 VanDerWaalsContact CE2-C 3.49Å; Y149-Q154 VanDerWaalsContact OH-CA 3.27Å; Y149-Q154 WeakPolarHBondContact OH-CA 3.22Å; Y149-Q154 WeakPolarHBondContact OH-CB 3.01Å; Y149-Y156 AromaticContact CD2-CD1 3.89Å; Y149-Y156 HydrophobicContact CD2-CD1 3.89Å; Y149-Y156 AromaticContact CD2-CD2 3.94Å; Y149-Y156 HydrophobicContact CD2-CD2 3.94Å; Y149-Y156 AromaticContact CD2-CE1 3.74Å; Y149-Y156 HydrophobicContact CD2-CE1 3.74Å; Y149-Y156 AromaticContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CG 4Å; Y149-Y156 AromaticContact CD2-CZ 3.65Å; Y149-Y156 HydrophobicContact CE2-CD2 4.28Å; Y149-Y156 AromaticContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CG-CE1 4.3Å |
| 150 | W | 93.4 | Very high | 95.5 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 108.9 | -179.4 | -76.7 | 28 | 0 | 0 | 0 | 109.9 | S152 S153 Q154 S155 V157 T159 | W150-S152 VanDerWaalsContact C-N 3.34Å; W150-S152 PolarHBondContact O-N 3.25Å; W150-S153 PolarHBondContact O-N 2.6Å; W150-Q154 VanDerWaalsContact O-CA 3.27Å; W150-Q154 WeakPolarHBondContact O-CA 3.27Å; W150-Q154 PolarHBondContact O-N 2.84Å; W150-S155 PolarHBondContact N-O 3.05Å; W150-S155 PolarHBondContact O-N 3.4Å; W150-V157 HydrophobicContact CD2-CG2 3.92Å; W150-V157 VanDerWaalsContact CE2-CG2 3.48Å; W150-V157 HydrophobicContact CG-CG2 3.83Å; W150-V157 HydrophobicContact CZ2-CG2 4.16Å; W150-T159 HydrophobicContact CZ2-CG2 3.98Å |
| 151 | N | 91.9 | Very high | 95.5 | Very high | 127 Ų | 127 | 53.9 Ų | 53.9 | 68% | 0.679 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.9 | -172.9 | -170 | 61 | 0 | 0 | 0 | 113.2 | Q154 | N151-Q154 PolarHBondContact O-N 2.65Š|
| 152 | S | 92.7 | Very high | 95.6 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 82% | 0.818 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -38.3 | -177 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | W150 | W150-S152 VanDerWaalsContact C-N 3.34Å; W150-S152 PolarHBondContact O-N 3.25Å |
| 153 | S | 93 | Very high | 95.5 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.5 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | W150 S155 | W150-S153 PolarHBondContact O-N 2.6Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 PolarHBondContact O-OG 2.75Å |
| 154 | Q | 95.3 | Very high | 95.4 | Very high | 139 Ų | 139 | 52.6 Ų | 52.6 | 65% | 0.65 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.4 | -174.2 | -60 | -172.1 | -51.9 | 0 | 0 | 113.5 | Y149 W150 N151 | Y149-Q154 VanDerWaalsContact CE2-C 3.49Å; Y149-Q154 VanDerWaalsContact OH-CA 3.27Å; Y149-Q154 WeakPolarHBondContact OH-CA 3.22Å; Y149-Q154 WeakPolarHBondContact OH-CB 3.01Å; W150-Q154 VanDerWaalsContact O-CA 3.27Å; W150-Q154 WeakPolarHBondContact O-CA 3.27Å; W150-Q154 PolarHBondContact O-N 2.84Å; N151-Q154 PolarHBondContact O-N 2.65Å |
| 155 | S | 96.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145 | -170.5 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | W150 S153 | W150-S155 PolarHBondContact N-O 3.05Å; W150-S155 PolarHBondContact O-N 3.4Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 PolarHBondContact O-OG 2.75Å |
| 156 | Y | 97 | Very high | 95.3 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.2 | 171.3 | -64.9 | -92 | 0 | 0 | 0 | 109.2 | I111 K113 A116 E117 L122 Y147 Y149 | I111-Y156 PolarHBondContact N-O 3.41Å; K113-Y156 HydrophobicContact CG-CE2 4.1Å; A116-Y156 HydrophobicContact CB-CD1 3.81Å; A116-Y156 HydrophobicContact CB-CD2 3.48Å; A116-Y156 VanDerWaalsContact CB-CD2 3.48Å; A116-Y156 HydrophobicContact CB-CE1 4.23Å; A116-Y156 HydrophobicContact CB-CE2 3.97Å; A116-Y156 HydrophobicContact CB-CG 3.4Å; E117-Y156 HydrophobicContact CG-CE2 4.3Å; L122-Y156 HydrophobicContact CD1-CD1 3.66Å; L122-Y156 HydrophobicContact CD1-CE1 3.73Å; L122-Y156 HydrophobicContact CG-CE1 4.38Å; Y147-Y156 HydrophobicContact CE2-CD1 4.23Å; Y147-Y156 AromaticContact CZ-CD1 3.73Å; Y147-Y156 WeakPolarHBondContact OH-CD1 3.47Å; Y149-Y156 AromaticContact CD2-CD1 3.89Å; Y149-Y156 HydrophobicContact CD2-CD1 3.89Å; Y149-Y156 AromaticContact CD2-CD2 3.94Å; Y149-Y156 HydrophobicContact CD2-CD2 3.94Å; Y149-Y156 AromaticContact CD2-CE1 3.74Å; Y149-Y156 HydrophobicContact CD2-CE1 3.74Å; Y149-Y156 AromaticContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CG 4Å; Y149-Y156 AromaticContact CD2-CZ 3.65Å; Y149-Y156 HydrophobicContact CE2-CD2 4.28Å; Y149-Y156 AromaticContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CG-CE1 4.3Å |
| 157 | V | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.9 | -176.9 | -57 | 0 | 0 | 0 | 0 | 112.3 | L109 V110 Y147 S148 W150 T159 | L109-V157 CarbonylContact O-C 3.49Å; L109-V157 WeakPolarHBondContact O-CA 3.24Å; V110-V157 HydrophobicContact CG2-CG1 4.16Å; Y147-V157 WeakPolarHBondContact CA-O 3.24Å; Y147-V157 WeakPolarHBondContact CD2-O 3.47Å; S148-V157 PolarHBondContact N-O 2.87Å; S148-V157 PolarHBondContact O-N 3.11Å; W150-V157 HydrophobicContact CD2-CG2 3.92Å; W150-V157 VanDerWaalsContact CE2-CG2 3.48Å; W150-V157 HydrophobicContact CG-CG2 3.83Å; W150-V157 HydrophobicContact CZ2-CG2 4.16Å; V157-T159 HydrophobicContact CG2-CG2 3.99Å |
| 158 | M | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.5 | 163 | -63.4 | 179.3 | -177.2 | 0 | 0 | 108.6 | R108 L109 I111 F120 L133 F135 F145 R146 Y147 F179 | R108-M158 CarbonylContact C-O 3.49Å; R108-M158 VanDerWaalsContact CA-O 3.24Å; R108-M158 WeakPolarHBondContact CA-O 3.33Å; L109-M158 HydrophobicContact CB-CB 4.28Å; L109-M158 HydrophobicContact CD2-SD 4.28Å; L109-M158 PolarHBondContact N-O 3.19Å; L109-M158 PolarHBondContact O-N 2.9Å; I111-M158 HydrophobicContact CD1-CE 3.86Å; I111-M158 HydrophobicContact CD1-CG 4.28Å; I111-M158 HydrophobicContact CD1-SD 4.1Å; I111-M158 HydrophobicContact CG1-CE 4.13Å; I111-M158 HydrophobicContact CG1-CG 4.22Å; F120-M158 HydrophobicContact CD2-CE 4.44Å; F120-M158 HydrophobicContact CE2-CE 4.04Å; L133-M158 HydrophobicContact CD1-CE 4.01Å; F135-M158 HydrophobicContact CE2-CE 4.11Å; F135-M158 HydrophobicContact CZ-CE 4.06Å; F145-M158 HydrophobicContact CB-CB 4.15Å; F145-M158 HydrophobicContact CB-CG 4.23Å; F145-M158 HydrophobicContact CB-SD 4.12Å; F145-M158 HydrophobicContact CD2-SD 4.03Å; F145-M158 HydrophobicContact CG-SD 4.17Å; R146-M158 CarbonylContact O-C 3.57Å; R146-M158 WeakPolarHBondContact O-CA 3.11Å; Y147-M158 HydrophobicContact CD2-CG 4.01Å; M158-F179 HydrophobicContact CE-CE1 3.92Å; M158-F179 HydrophobicContact CE-CZ 4.31Å; M158-F179 HydrophobicContact SD-CE1 4.15Å; M158-F179 HydrophobicContact SD-CZ 4.3Å |
| 159 | T | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | trans | -116.3 | -98.5 | -174 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | R108 R146 W150 V157 G161 W162 | R108-T159 HydrophobicContact CB-CG2 4.29Å; R146-T159 PolarHBondContact O-N 3.48Å; R146-T159 PolarHBondContact O-OG1 3.29Å; R146-T159 VanDerWaalsContact O-OG1 3.11Å; W150-T159 HydrophobicContact CZ2-CG2 3.98Å; V157-T159 HydrophobicContact CG2-CG2 3.99Å; T159-G161 PolarHBondContact O-N 3.15Å; T159-W162 WeakPolarHBondContact O-CB 3.17Å; T159-W162 PolarHBondContact O-N 3.23Å | ||
| 160 | K | 93.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 134.8 | 179.4 | -174.8 | 173.4 | 179.6 | 172.4 | 0 | 110.3 | E25 E28 F145 R146 W162 | E25-K160 WeakPolarHBondContact OE1-CE 3.43Å; E28-K160 IonicContact OE2-NZ 2.69Å; E28-K160 PolarHBondContact OE2-NZ 3.12Å; E28-K160 VanDerWaalsContact OE2-NZ 3.17Å; F145-K160 VanDerWaalsContact CA-O 3.28Å; F145-K160 WeakPolarHBondContact CA-O 3.47Å; R146-K160 HydrophobicContact CB-CB 3.94Å; R146-K160 PolarHBondContact N-O 2.7Å; K160-W162 VanDerWaalsContact C-N 3.32Å; K160-W162 PolarHBondContact O-N 3Å |
| 161 | G | 95.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -21.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F145 T159 R164 F165 | F145-G161 WeakPolarHBondContact CE1-O 3.27Å; T159-G161 PolarHBondContact O-N 3.15Å; G161-R164 PolarHBondContact O-N 3.01Å; G161-F165 PolarHBondContact O-N 2.95Å; G161-F165 VanDerWaalsContact O-N 3.16Å |
| 162 | W | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -46.1 | -177.1 | 171.9 | -109.8 | 0 | 0 | 0 | 113.2 | V98 D102 R108 L109 F145 T159 K160 R164 F165 V166 L171 V177 | V98-W162 HydrophobicContact CG1-CZ2 4.46Å; V98-W162 HydrophobicContact CG2-CH2 4.39Å; D102-W162 HydrophobicContact CB-CZ2 4.24Å; D102-W162 PolarHBondContact O-NE1 3.41Å; R108-W162 VanDerWaalsContact C-CD1 3.48Å; L109-W162 HydrophobicContact CB-CD2 3.72Å; L109-W162 HydrophobicContact CB-CE3 4.02Å; L109-W162 HydrophobicContact CB-CG 4.15Å; L109-W162 HydrophobicContact CB-CH2 4.39Å; L109-W162 HydrophobicContact CB-CZ2 4.12Å; L109-W162 HydrophobicContact CB-CZ3 4.34Å; L109-W162 HydrophobicContact CD1-CH2 3.92Å; L109-W162 HydrophobicContact CD1-CZ2 3.88Å; L109-W162 HydrophobicContact CD1-CZ3 4.45Å; L109-W162 HydrophobicContact CD2-CE3 4.09Å; L109-W162 HydrophobicContact CD2-CH2 4.11Å; L109-W162 HydrophobicContact CD2-CZ3 3.81Å; L109-W162 HydrophobicContact CG-CH2 4.37Å; L109-W162 HydrophobicContact CG-CZ2 4.43Å; L109-W162 HydrophobicContact CG-CZ3 4.43Å; F145-W162 HydrophobicContact CD1-CB 4.41Å; F145-W162 HydrophobicContact CE1-CB 4.49Å; T159-W162 WeakPolarHBondContact O-CB 3.17Å; T159-W162 PolarHBondContact O-N 3.23Å; K160-W162 VanDerWaalsContact C-N 3.32Å; K160-W162 PolarHBondContact O-N 3Å; W162-R164 VanDerWaalsContact C-N 3.28Å; W162-R164 PolarHBondContact O-N 3.22Å; W162-F165 HydrophobicContact CE3-CD1 4.04Å; W162-F165 HydrophobicContact CH2-CD1 4.37Å; W162-F165 AromaticContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CE1 4.12Å; W162-F165 WeakPolarHBondContact O-CB 3.41Å; W162-F165 PolarHBondContact O-N 2.9Å; W162-F165 VanDerWaalsContact O-N 3.1Å; W162-V166 HydrophobicContact CD2-CG2 3.94Å; W162-V166 HydrophobicContact CE3-CG2 4.43Å; W162-V166 HydrophobicContact CH2-CG2 3.94Å; W162-V166 HydrophobicContact CZ2-CG2 3.37Å; W162-V166 HydrophobicContact CZ3-CG2 4.44Å; W162-V166 WeakPolarHBondContact O-CG2 3.47Å; W162-V166 PolarHBondContact O-N 3.34Å; W162-L171 HydrophobicContact CH2-CD1 3.9Å; W162-L171 HydrophobicContact CZ3-CD1 4.36Å; W162-V177 HydrophobicContact CH2-CG2 4.15Å; W162-V177 HydrophobicContact CZ3-CG2 4.46Å |
| 163 | S | 95 | Very high | 95.8 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -43.8 | 176.7 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | F165 V166 K167 | S163-F165 PolarHBondContact O-N 2.82Å; S163-V166 PolarHBondContact O-N 2.73Å; S163-K167 WeakPolarHBondContact O-CB 3.42Å; S163-K167 WeakPolarHBondContact O-CG 3.37Å; S163-K167 PolarHBondContact O-N 2.91Å |
| 164 | R | 95.4 | Very high | 96 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 45% | 0.453 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.6 | -165.7 | -178.8 | -176.9 | 172 | 3.5 | 112.1 | E25 W143 G161 W162 K167 E168 | E25-R164 IonicContact OE2-NH1 2.95Å; E25-R164 PolarHBondContact OE2-NH1 3.42Å; W143-R164 HydrophobicContact CH2-CG 4.45Å; W143-R164 HydrophobicContact CZ3-CB 4.09Å; W143-R164 HydrophobicContact CZ3-CG 3.9Å; G161-R164 PolarHBondContact O-N 3.01Å; W162-R164 VanDerWaalsContact C-N 3.28Å; W162-R164 PolarHBondContact O-N 3.22Å; R164-K167 PolarHBondContact O-N 2.92Å; R164-E168 VanDerWaalsContact O-CB 3.3Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 2.88Å |
| 165 | F | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.2 | -175.1 | -107.3 | 0 | 0 | 0 | 111.9 | W143 F145 G161 W162 S163 K169 L171 V177 I193 W195 | W143-F165 HydrophobicContact CD2-CB 4.36Å; W143-F165 AromaticContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CE2 4.28Å; W143-F165 HydrophobicContact CD2-CG 4.39Å; W143-F165 AromaticContact CE2-CD2 3.49Å; W143-F165 VanDerWaalsContact CE2-CD2 3.49Å; W143-F165 HydrophobicContact CE3-CB 3.8Å; W143-F165 AromaticContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CG 4.31Å; W143-F165 AromaticContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CE2 4.4Å; W143-F165 HydrophobicContact CH2-CB 4.33Å; W143-F165 HydrophobicContact CH2-CD2 4.1Å; W143-F165 AromaticContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CE2 4.46Å; W143-F165 HydrophobicContact CZ3-CB 3.79Å; W143-F165 HydrophobicContact CZ3-CD2 4.12Å; W143-F165 HydrophobicContact CZ3-CG 4.48Å; W143-F165 AromaticContact NE1-CD2 3.87Å; W143-F165 AromaticContact NE1-CE2 3.92Å; F145-F165 HydrophobicContact CE1-CB 4.05Å; F145-F165 HydrophobicContact CZ-CB 4.08Å; F145-F165 HydrophobicContact CZ-CD2 4.43Å; F145-F165 HydrophobicContact CZ-CG 4.16Å; G161-F165 PolarHBondContact O-N 2.95Å; G161-F165 VanDerWaalsContact O-N 3.16Å; W162-F165 HydrophobicContact CE3-CD1 4.04Å; W162-F165 HydrophobicContact CH2-CD1 4.37Å; W162-F165 AromaticContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CE1 4.12Å; W162-F165 WeakPolarHBondContact O-CB 3.41Å; W162-F165 PolarHBondContact O-N 2.9Å; W162-F165 VanDerWaalsContact O-N 3.1Å; S163-F165 PolarHBondContact O-N 2.82Å; F165-K169 HydrophobicContact CD2-CG 3.89Å; F165-K169 HydrophobicContact CE2-CG 3.68Å; F165-K169 HydrophobicContact CG-CG 4.44Å; F165-K169 HydrophobicContact CZ-CG 4.05Å; F165-K169 WeakPolarHBondContact O-CB 3.3Å; F165-K169 WeakPolarHBondContact O-CG 3.32Å; F165-K169 PolarHBondContact O-N 2.91Å; F165-L171 HydrophobicContact CD1-CD1 3.61Å; F165-L171 HydrophobicContact CE1-CD1 3.55Å; F165-V177 HydrophobicContact CE1-CG1 4.38Å; F165-V177 HydrophobicContact CE1-CG2 4.27Å; F165-I193 HydrophobicContact CD1-CD1 4.28Å; F165-I193 HydrophobicContact CE1-CD1 3.68Å; F165-I193 HydrophobicContact CE1-CG1 4.29Å; F165-I193 HydrophobicContact CE2-CD1 4.05Å; F165-I193 HydrophobicContact CE2-CG1 4.37Å; F165-I193 HydrophobicContact CE2-CG2 4.13Å; F165-I193 HydrophobicContact CZ-CD1 3.56Å; F165-I193 HydrophobicContact CZ-CG1 3.79Å; F165-I193 HydrophobicContact CZ-CG2 4.38Å; F165-W195 HydrophobicContact CE2-CE3 4.14Å; F165-W195 HydrophobicContact CE2-CZ3 4.22Å; F165-W195 HydrophobicContact CZ-CD2 4.45Å; F165-W195 AromaticContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CZ3 4.28Å |
| 166 | V | 96.5 | Very high | 96.1 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 176.7 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | V103 W162 S163 R170 L171 | V103-V166 HydrophobicContact CB-CG1 4.21Å; V103-V166 HydrophobicContact CG1-CG1 3.83Å; V103-V166 HydrophobicContact CG1-CG2 4.12Å; W162-V166 HydrophobicContact CD2-CG2 3.94Å; W162-V166 HydrophobicContact CE3-CG2 4.43Å; W162-V166 HydrophobicContact CH2-CG2 3.94Å; W162-V166 HydrophobicContact CZ2-CG2 3.37Å; W162-V166 HydrophobicContact CZ3-CG2 4.44Å; W162-V166 WeakPolarHBondContact O-CG2 3.47Å; W162-V166 PolarHBondContact O-N 3.34Å; S163-V166 PolarHBondContact O-N 2.73Å; V166-R170 VanDerWaalsContact O-CA 3.26Å; V166-R170 WeakPolarHBondContact O-CA 3.3Å; V166-R170 PolarHBondContact O-N 2.88Å; V166-L171 HydrophobicContact CG1-CB 4.34Å; V166-L171 HydrophobicContact CG2-CD1 4.24Å; V166-L171 PolarHBondContact O-N 3.41Å |
| 167 | K | 95.4 | Very high | 96.2 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -50.4 | -179.8 | -73.4 | 178 | 179.1 | 178.9 | 0 | 111.5 | E18 S163 R164 R170 | E18-K167 IonicContact OE1-NZ 2.71Å; E18-K167 PolarHBondContact OE1-NZ 2.98Å; E18-K167 IonicContact OE2-NZ 3.17Å; E18-K167 PolarHBondContact OE2-NZ 2.97Å; S163-K167 WeakPolarHBondContact O-CB 3.42Å; S163-K167 WeakPolarHBondContact O-CG 3.37Å; S163-K167 PolarHBondContact O-N 2.91Å; R164-K167 PolarHBondContact O-N 2.92Å; K167-R170 PolarHBondContact O-N 3.35Å |
| 168 | E | 96.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -42.3 | -175.6 | -172.4 | 175.8 | 127.3 | 0 | 0 | 112.4 | K141 W143 R164 R170 | K141-E168 WeakPolarHBondContact CD-OE1 3.38Å; K141-E168 VanDerWaalsContact NZ-CD 3.29Å; K141-E168 IonicContact NZ-OE1 3.64Å; K141-E168 PolarHBondContact NZ-OE1 3.33Å; K141-E168 IonicContact NZ-OE2 3.8Å; K141-E168 PolarHBondContact NZ-OE2 2.97Å; W143-E168 HydrophobicContact CH2-CB 3.83Å; W143-E168 VanDerWaalsContact CH2-CD 3.48Å; W143-E168 HydrophobicContact CH2-CG 4.21Å; W143-E168 VanDerWaalsContact CH2-OE2 3.3Å; W143-E168 WeakPolarHBondContact CH2-OE2 3.48Å; W143-E168 HydrophobicContact CZ2-CB 4.43Å; W143-E168 HydrophobicContact CZ2-CG 4.45Å; W143-E168 WeakPolarHBondContact CZ2-OE1 3.42Å; R164-E168 VanDerWaalsContact O-CB 3.3Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 2.88Å; E168-R170 VanDerWaalsContact C-N 3.26Å; E168-R170 PolarHBondContact O-N 2.92Å |
| 169 | K | 95.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 42 Ų | 42 | 11% | 0.109 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.5 | -5.6 | -179.9 | -56.7 | -37.9 | -172.7 | -173.6 | 0 | 113 | D137 F165 L171 W195 R197 | D137-K169 WeakPolarHBondContact OD2-CE 3.39Å; D137-K169 IonicContact OD2-NZ 3.63Å; D137-K169 PolarHBondContact OD2-NZ 3.1Å; F165-K169 HydrophobicContact CD2-CG 3.89Å; F165-K169 HydrophobicContact CE2-CG 3.68Å; F165-K169 HydrophobicContact CG-CG 4.44Å; F165-K169 HydrophobicContact CZ-CG 4.05Å; F165-K169 WeakPolarHBondContact O-CB 3.3Å; F165-K169 WeakPolarHBondContact O-CG 3.32Å; F165-K169 PolarHBondContact O-N 2.91Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 HydrophobicContact CB-CD2 4.23Å; K169-L171 HydrophobicContact CB-CG 4.09Å; K169-W195 HydrophobicContact CB-CD2 4.15Å; K169-W195 HydrophobicContact CB-CG 4.5Å; K169-W195 HydrophobicContact CB-CZ2 4.18Å; K169-W195 HydrophobicContact CD-CH2 3.47Å; K169-W195 VanDerWaalsContact CD-CH2 3.47Å; K169-W195 HydrophobicContact CD-CZ2 3.41Å; K169-W195 VanDerWaalsContact CD-CZ2 3.41Å; K169-W195 HydrophobicContact CD-CZ3 4.03Å; K169-W195 HydrophobicContact CG-CD2 4.05Å; K169-W195 HydrophobicContact CG-CE3 4.1Å; K169-W195 HydrophobicContact CG-CH2 3.93Å; K169-W195 HydrophobicContact CG-CZ2 3.81Å; K169-W195 HydrophobicContact CG-CZ3 4.03Å; K169-R197 PolarHBondContact O-NH2 2.74Å |
| 170 | R | 95.7 | Very high | 96.3 | Very high | 192 Ų | 192 | 41.1 Ų | 41.1 | 73% | 0.725 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 55.7 | -176.8 | -55.7 | 178.8 | -178.1 | -171.3 | -1.1 | 110.2 | V166 K167 E168 R197 | V166-R170 VanDerWaalsContact O-CA 3.26Å; V166-R170 WeakPolarHBondContact O-CA 3.3Å; V166-R170 PolarHBondContact O-N 2.88Å; K167-R170 PolarHBondContact O-N 3.35Å; E168-R170 VanDerWaalsContact C-N 3.26Å; E168-R170 PolarHBondContact O-N 2.92Å; R170-R197 PolarHBondContact O-NH1 2.94Å; R170-R197 PolarHBondContact O-NH2 3.41Å |
| 171 | L | 96.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -76.8 | 134.6 | 178.9 | -65.6 | -179.6 | 0 | 0 | 0 | 110.3 | V103 W162 F165 V166 K169 D175 V177 W195 | V103-L171 HydrophobicContact CG1-CB 4.26Å; W162-L171 HydrophobicContact CH2-CD1 3.9Å; W162-L171 HydrophobicContact CZ3-CD1 4.36Å; F165-L171 HydrophobicContact CD1-CD1 3.61Å; F165-L171 HydrophobicContact CE1-CD1 3.55Å; V166-L171 HydrophobicContact CG1-CB 4.34Å; V166-L171 HydrophobicContact CG2-CD1 4.24Å; V166-L171 PolarHBondContact O-N 3.41Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 HydrophobicContact CB-CD2 4.23Å; K169-L171 HydrophobicContact CB-CG 4.09Å; L171-D175 HydrophobicContact CD2-CB 4.47Å; L171-V177 HydrophobicContact CD1-CG2 3.91Å; L171-W195 HydrophobicContact CD2-CB 3.75Å; L171-W195 HydrophobicContact CD2-CG 3.84Å | ||
| 172 | D | 95.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 42.3 Ų | 42.3 | 54% | 0.535 | 20% | 0.2 | S | C | . | . | trans | -113 | 159.6 | 175.2 | -75 | -56 | 0 | 0 | 0 | 111.6 | G174 D175 R197 | D172-G174 PolarHBondContact O-N 3.42Å; D172-G174 VanDerWaalsContact O-N 3.08Å; D172-D175 PolarHBondContact N-OD2 3.47Å; D172-D175 WeakPolarHBondContact O-CB 2.96Å; D172-D175 PolarHBondContact O-N 2.61Å; D172-R197 IonicContact OD2-NH1 3.97Å | ||
| 173 | A | 95.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 39% | 0.388 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 119.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P100 V103 | P100-A173 HydrophobicContact CB-CB 4.41Å; P100-A173 HydrophobicContact CG-CB 3.98Å; V103-A173 HydrophobicContact CG2-CB 3.89Å |
| 174 | G | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | -9.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V98 D172 R198 | V98-G174 WeakPolarHBondContact O-CA 3.49Å; V98-G174 PolarHBondContact O-N 2.9Å; D172-G174 PolarHBondContact O-N 3.42Å; D172-G174 VanDerWaalsContact O-N 3.08Å; G174-R198 PolarHBondContact O-NE 2.84Å; G174-R198 PolarHBondContact O-NH2 3.04Å |
| 175 | D | 97.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | trans | -64.8 | 161.1 | 166.2 | -69.8 | -15.6 | 0 | 0 | 0 | 110.7 | V97 V98 L171 D172 R197 R198 | V97-D175 WeakPolarHBondContact CA-O 3.4Å; V98-D175 PolarHBondContact N-O 2.82Å; L171-D175 HydrophobicContact CD2-CB 4.47Å; D172-D175 PolarHBondContact N-OD2 3.47Å; D172-D175 WeakPolarHBondContact O-CB 2.96Å; D172-D175 PolarHBondContact O-N 2.61Å; D175-R197 VanDerWaalsContact OD1-CA 3.25Å; D175-R197 WeakPolarHBondContact OD1-CA 3.07Å; D175-R197 IonicContact OD2-NH1 3.85Å; D175-R198 PolarHBondContact OD1-N 2.69Å | ||
| 176 | T | 97.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129 | 179.3 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | D95 K96 W195 K196 | D95-T176 HydrophobicContact CB-CG2 3.83Å; K96-T176 WeakPolarHBondContact O-CA 3.38Å; T176-W195 CarbonylContact O-C 3.57Å; T176-W195 VanDerWaalsContact O-CA 3.28Å; T176-W195 WeakPolarHBondContact O-CA 3.27Å; T176-K196 PolarHBondContact N-O 3.49Å; T176-K196 PolarHBondContact O-N 2.57Å |
| 177 | V | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.6 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | K96 V98 W162 F165 L171 F179 I193 D194 | K96-V177 PolarHBondContact N-O 2.92Å; K96-V177 PolarHBondContact O-N 2.98Å; V98-V177 HydrophobicContact CG2-CG2 3.67Å; W162-V177 HydrophobicContact CH2-CG2 4.15Å; W162-V177 HydrophobicContact CZ3-CG2 4.46Å; F165-V177 HydrophobicContact CE1-CG1 4.38Å; F165-V177 HydrophobicContact CE1-CG2 4.27Å; L171-V177 HydrophobicContact CD1-CG2 3.91Å; V177-F179 HydrophobicContact CB-CE2 4.34Å; V177-F179 HydrophobicContact CG1-CD2 4.35Å; V177-F179 HydrophobicContact CG1-CE1 4.41Å; V177-F179 HydrophobicContact CG1-CE2 3.69Å; V177-F179 HydrophobicContact CG1-CZ 3.73Å; V177-I193 HydrophobicContact CG1-CD1 3.77Å; V177-I193 HydrophobicContact CG1-CG1 3.74Å; V177-D194 CarbonylContact C-O 3.55Å; V177-D194 WeakPolarHBondContact CA-O 3.21Å |
| 178 | S | 97.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.3 | -178.3 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | D95 I193 D194 | D95-S178 VanDerWaalsContact OD1-CB 3.24Å; D95-S178 WeakPolarHBondContact OD1-CB 3.36Å; D95-S178 PolarHBondContact OD1-OG 3.09Å; S178-I193 WeakPolarHBondContact O-CA 3.34Å; S178-D194 PolarHBondContact N-O 3.16Å; S178-D194 PolarHBondContact O-N 3.48Å |
| 179 | F | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 176.9 | -64 | -88.6 | 0 | 0 | 0 | 109.5 | M93 F94 K96 L109 I111 F120 F135 M158 V177 I193 | M93-F179 WeakPolarHBondContact CA-O 3.46Å; M93-F179 VanDerWaalsContact CB-O 3.27Å; M93-F179 WeakPolarHBondContact CB-O 3.16Å; M93-F179 PolarHBondContact N-O 3.47Å; M93-F179 HydrophobicContact SD-CB 4.46Å; F94-F179 HydrophobicContact CD1-CB 4.13Å; F94-F179 AromaticContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CE1-CB 3.77Å; F94-F179 AromaticContact CE1-CD2 3.95Å; F94-F179 HydrophobicContact CE1-CD2 3.95Å; F94-F179 AromaticContact CE1-CG 3.96Å; F94-F179 HydrophobicContact CE1-CG 3.96Å; F94-F179 AromaticContact CE2-CD2 3.31Å; F94-F179 HydrophobicContact CE2-CD2 3.31Å; F94-F179 AromaticContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CG 4.16Å; F94-F179 HydrophobicContact CZ-CB 4.02Å; F94-F179 HydrophobicContact CZ-CD1 4.49Å; F94-F179 AromaticContact CZ-CD2 3.28Å; F94-F179 HydrophobicContact CZ-CD2 3.28Å; F94-F179 AromaticContact CZ-CE2 3.81Å; F94-F179 HydrophobicContact CZ-CE2 3.81Å; F94-F179 AromaticContact CZ-CG 3.68Å; F94-F179 HydrophobicContact CZ-CG 3.68Å; F94-F179 PolarHBondContact N-O 2.67Å; F94-F179 PolarHBondContact O-N 3.28Å; K96-F179 HydrophobicContact CB-CE2 4.28Å; L109-F179 HydrophobicContact CD2-CE2 4.22Å; L109-F179 HydrophobicContact CD2-CZ 3.69Å; I111-F179 HydrophobicContact CD1-CZ 4.46Å; F120-F179 HydrophobicContact CZ-CD1 4.49Å; F135-F179 HydrophobicContact CD1-CD1 4.09Å; F135-F179 AromaticContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CE1 4.23Å; F135-F179 AromaticContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CE1 4.18Å; M158-F179 HydrophobicContact CE-CE1 3.92Å; M158-F179 HydrophobicContact CE-CZ 4.31Å; M158-F179 HydrophobicContact SD-CE1 4.15Å; M158-F179 HydrophobicContact SD-CZ 4.3Å; V177-F179 HydrophobicContact CB-CE2 4.34Å; V177-F179 HydrophobicContact CG1-CD2 4.35Å; V177-F179 HydrophobicContact CG1-CE1 4.41Å; V177-F179 HydrophobicContact CG1-CE2 3.69Å; V177-F179 HydrophobicContact CG1-CZ 3.73Å; F179-I193 HydrophobicContact CD1-CG1 4.49Å; F179-I193 HydrophobicContact CE1-CD1 3.87Å; F179-I193 HydrophobicContact CE1-CG1 4.28Å; F179-I193 HydrophobicContact CZ-CD1 4.29Å |
| 180 | C | 96.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.8 | -176.9 | -58 | 0 | 0 | 0 | 0 | 111 | K90 E91 M93 L191 F192 | K90-C180 HydrophobicContact CB-CB 4.13Å; E91-C180 CarbonylContact O-C 3.54Å; E91-C180 VanDerWaalsContact O-CA 3.24Å; E91-C180 WeakPolarHBondContact O-CA 3.4Å; E91-C180 WeakPolarHBondContact O-CB 2.97Å; M93-C180 VanDerWaalsContact SD-C 3.59Å; C180-L191 WeakPolarHBondContact O-CA 3.47Å; C180-F192 HydrophobicContact CB-CB 4.12Å; C180-F192 PolarHBondContact N-O 3.16Å; C180-F192 PolarHBondContact O-N 3.46Å |
| 181 | R | 95.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.6 | 176.6 | -171.5 | 177.2 | -171.6 | 179.7 | 1.3 | 109.1 | K90 E91 M93 A183 R188 R190 L191 | K90-R181 CarbonylContact C-O 3.08Å; K90-R181 WeakPolarHBondContact CA-O 2.79Å; E91-R181 PolarHBondContact N-O 3.06Å; E91-R181 PolarHBondContact O-N 2.92Å; M93-R181 HydrophobicContact CE-CB 4.12Å; M93-R181 HydrophobicContact CG-CB 4.01Å; M93-R181 HydrophobicContact SD-CB 3.98Å; R181-A183 PolarHBondContact O-N 3.18Å; R181-R188 WeakPolarHBondContact CG-O 3.45Å; R181-R188 VanDerWaalsContact CZ-O 3.3Å; R181-R188 PolarHBondContact NE-O 2.84Å; R181-R188 PolarHBondContact NH2-O 3.06Å; R181-R188 VanDerWaalsContact NH2-O 3.09Å; R181-R190 WeakPolarHBondContact CA-O 3.5Å; R181-L191 HydrophobicContact CG-CD2 4.38Å |
| 182 | G | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A187 R188 R190 | G182-A187 VanDerWaalsContact CA-O 3.3Å; G182-A187 WeakPolarHBondContact CA-O 3.47Å; G182-R188 WeakPolarHBondContact O-CA 3.33Å; G182-R190 PolarHBondContact N-O 2.95Å |
| 183 | A | 85.8 | Confident | 93 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -89.2 | 110.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E89 E91 R181 | E89-A183 HydrophobicContact CB-CB 3.82Å; E89-A183 HydrophobicContact CG-CB 3.69Å; E89-A183 WeakPolarHBondContact O-CA 3.3Å; E89-A183 VanDerWaalsContact O-CB 3.31Å; E89-A183 WeakPolarHBondContact O-CB 3.48Å; E89-A183 PolarHBondContact O-N 3.19Å; E91-A183 HydrophobicContact CB-CB 4.34Å; R181-A183 PolarHBondContact O-N 3.18Å |
| 184 | G | 82.6 | Confident | 93.1 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 139 | 143.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | T186 A187 R188 | G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å; G184-A187 PolarHBondContact O-N 2.66Å; G184-R188 WeakPolarHBondContact O-CG 3.24Å; G184-R188 PolarHBondContact O-N 2.72Å |
| 185 | D | 81.2 | Confident | 93.1 | Very high | 134 Ų | 134 | 45.6 Ų | 45.6 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.6 | -173.1 | -59 | -65.3 | 0 | 0 | 0 | 113.2 | R188 | D185-R188 IonicContact OD1-CZ 3.25Å; D185-R188 IonicContact OD1-NH1 2.61Å; D185-R188 PolarHBondContact OD1-NH1 3.28Å; D185-R188 IonicContact OD1-NH2 2.6Å |
| 186 | T | 84.3 | Confident | 93 | Very high | 139 Ų | 139 | 51.5 Ų | 51.5 | 85% | 0.853 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -20.5 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | G184 | G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å |
| 187 | A | 86.8 | Confident | 92.9 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -4.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I88 G182 G184 D189 R190 | I88-A187 HydrophobicContact CG2-CB 4.48Å; G182-A187 VanDerWaalsContact CA-O 3.3Å; G182-A187 WeakPolarHBondContact CA-O 3.47Å; G184-A187 PolarHBondContact O-N 2.66Å; A187-D189 PolarHBondContact O-N 3.01Å; A187-D189 VanDerWaalsContact O-N 3.09Å; A187-R190 WeakPolarHBondContact O-CB 3.28Å; A187-R190 PolarHBondContact O-N 3.35Å |
| 188 | R | 87.9 | Confident | 92.5 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.3 | -178.8 | -68 | -125.5 | 177.9 | 77.7 | 7.6 | 113 | R181 G182 G184 D185 R190 | R181-R188 WeakPolarHBondContact CG-O 3.45Å; R181-R188 VanDerWaalsContact CZ-O 3.3Å; R181-R188 PolarHBondContact NE-O 2.84Å; R181-R188 PolarHBondContact NH2-O 3.06Å; R181-R188 VanDerWaalsContact NH2-O 3.09Å; G182-R188 WeakPolarHBondContact O-CA 3.33Å; G184-R188 WeakPolarHBondContact O-CG 3.24Å; G184-R188 PolarHBondContact O-N 2.72Å; D185-R188 IonicContact OD1-CZ 3.25Å; D185-R188 IonicContact OD1-NH1 2.61Å; D185-R188 PolarHBondContact OD1-NH1 3.28Å; D185-R188 IonicContact OD1-NH2 2.6Å; R188-R190 VanDerWaalsContact C-N 3.3Å |
| 189 | D | 90.3 | Very high | 91.6 | Very high | 143 Ų | 143 | 65.9 Ų | 65.9 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.1 | 177.5 | -60.8 | -30.8 | 0 | 0 | 0 | 113.3 | A187 | A187-D189 PolarHBondContact O-N 3.01Å; A187-D189 VanDerWaalsContact O-N 3.09Å |
| 190 | R | 94.7 | Very high | 89.9 | Confident | 132 Ų | 132 | 71 Ų | 71 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | trans | -86.2 | 132.1 | 176.9 | -59.9 | -173.4 | 179.4 | -170.5 | 0.5 | 110.5 | R181 G182 A187 R188 F192 | R181-R190 WeakPolarHBondContact CA-O 3.5Å; G182-R190 PolarHBondContact N-O 2.95Å; A187-R190 WeakPolarHBondContact O-CB 3.28Å; A187-R190 PolarHBondContact O-N 3.35Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R190-F192 HydrophobicContact CB-CE2 3.92Å; R190-F192 HydrophobicContact CB-CZ 4.04Å | ||
| 191 | L | 96.8 | Very high | 87.8 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.3 | 174.9 | -53.6 | 172.6 | 0 | 0 | 0 | 109.3 | M93 F120 L133 F135 E136 C180 R181 | M93-L191 HydrophobicContact CE-CD2 4.13Å; M93-L191 HydrophobicContact SD-CD2 4.34Å; F120-L191 HydrophobicContact CE1-CD1 4.02Å; F120-L191 HydrophobicContact CE1-CD2 4.19Å; L133-L191 HydrophobicContact CB-CD1 4.43Å; L133-L191 HydrophobicContact CD2-CD1 4.26Å; F135-L191 CarbonylContact C-O 3.59Å; F135-L191 WeakPolarHBondContact CA-O 3.4Å; F135-L191 HydrophobicContact CD1-CB 3.38Å; F135-L191 HydrophobicContact CD1-CD1 4.4Å; F135-L191 HydrophobicContact CD1-CG 4.48Å; F135-L191 HydrophobicContact CE1-CB 3.52Å; F135-L191 HydrophobicContact CE1-CD1 3.86Å; F135-L191 HydrophobicContact CE1-CG 4.19Å; F135-L191 HydrophobicContact CE2-CD1 4.32Å; F135-L191 HydrophobicContact CG-CB 4.03Å; F135-L191 HydrophobicContact CZ-CB 4.3Å; F135-L191 HydrophobicContact CZ-CD1 3.83Å; E136-L191 PolarHBondContact N-O 3.06Å; C180-L191 WeakPolarHBondContact O-CA 3.47Å; R181-L191 HydrophobicContact CG-CD2 4.38Å |
| 192 | F | 97.3 | Very high | 86 | Confident | 1 Ų | 1 | 80.6 Ų | 80.6 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.9 | -179.4 | -58.8 | -87.5 | 0 | 0 | 0 | 110.5 | I88 K90 E136 C180 R190 | I88-F192 HydrophobicContact CB-CZ 4.47Å; I88-F192 HydrophobicContact CD1-CE1 4.45Å; I88-F192 HydrophobicContact CD1-CZ 4.08Å; I88-F192 HydrophobicContact CG2-CE2 4.1Å; I88-F192 HydrophobicContact CG2-CZ 3.84Å; K90-F192 HydrophobicContact CD-CB 3.94Å; K90-F192 HydrophobicContact CD-CD1 4.09Å; K90-F192 HydrophobicContact CD-CD2 3.91Å; K90-F192 HydrophobicContact CD-CE2 4.47Å; K90-F192 HydrophobicContact CD-CG 3.71Å; K90-F192 HydrophobicContact CG-CD2 3.91Å; K90-F192 HydrophobicContact CG-CE2 4.15Å; K90-F192 HydrophobicContact CG-CG 4.24Å; E136-F192 HydrophobicContact CB-CD1 3.75Å; E136-F192 HydrophobicContact CB-CE1 3.98Å; E136-F192 HydrophobicContact CG-CD1 4.37Å; E136-F192 HydrophobicContact CG-CE1 4.38Å; E136-F192 CarbonylContact O-C 3.59Å; E136-F192 WeakPolarHBondContact O-CA 3.26Å; E136-F192 WeakPolarHBondContact O-CB 3.43Å; C180-F192 HydrophobicContact CB-CB 4.12Å; C180-F192 PolarHBondContact N-O 3.16Å; C180-F192 PolarHBondContact O-N 3.46Å; R190-F192 HydrophobicContact CB-CE2 3.92Å; R190-F192 HydrophobicContact CB-CZ 4.04Å |
| 193 | I | 97.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.005 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.6 | 178.5 | -170.7 | 169.8 | 0 | 0 | 0 | 110.2 | F135 E136 D137 W143 F145 F165 V177 S178 F179 | F135-I193 HydrophobicContact CB-CB 3.78Å; F135-I193 HydrophobicContact CB-CG2 3.62Å; F135-I193 HydrophobicContact CD1-CB 4.28Å; F135-I193 HydrophobicContact CG-CB 4.24Å; E136-I193 PolarHBondContact O-N 2.81Å; D137-I193 WeakPolarHBondContact CA-O 3.28Å; W143-I193 HydrophobicContact CG-CG2 4.48Å; F145-I193 HydrophobicContact CE2-CD1 3.79Å; F145-I193 HydrophobicContact CZ-CD1 4.03Å; F165-I193 HydrophobicContact CD1-CD1 4.28Å; F165-I193 HydrophobicContact CE1-CD1 3.68Å; F165-I193 HydrophobicContact CE1-CG1 4.29Å; F165-I193 HydrophobicContact CE2-CD1 4.05Å; F165-I193 HydrophobicContact CE2-CG1 4.37Å; F165-I193 HydrophobicContact CE2-CG2 4.13Å; F165-I193 HydrophobicContact CZ-CD1 3.56Å; F165-I193 HydrophobicContact CZ-CG1 3.79Å; F165-I193 HydrophobicContact CZ-CG2 4.38Å; V177-I193 HydrophobicContact CG1-CD1 3.77Å; V177-I193 HydrophobicContact CG1-CG1 3.74Å; S178-I193 WeakPolarHBondContact O-CA 3.34Å; F179-I193 HydrophobicContact CD1-CG1 4.49Å; F179-I193 HydrophobicContact CE1-CD1 3.87Å; F179-I193 HydrophobicContact CE1-CG1 4.28Å; F179-I193 HydrophobicContact CZ-CD1 4.29Å |
| 194 | D | 96.8 | Very high | 82.3 | Confident | 40 Ų | 40 | 89.8 Ų | 89.8 | 21% | 0.214 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 164.1 | 176.6 | -78.8 | -56 | 0 | 0 | 0 | 110.2 | R138 V177 S178 | R138-D194 WeakPolarHBondContact CB-OD1 3.44Å; V177-D194 CarbonylContact C-O 3.55Å; V177-D194 WeakPolarHBondContact CA-O 3.21Å; S178-D194 PolarHBondContact N-O 3.16Å; S178-D194 PolarHBondContact O-N 3.48Å |
| 195 | W | 96.4 | Very high | 81 | Confident | 28 Ų | 28 | 96.2 Ų | 96.2 | 11% | 0.106 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.2 | 174.9 | 66.2 | 103.9 | 0 | 0 | 0 | 112.2 | D137 R138 F165 K169 L171 T176 | D137-W195 HydrophobicContact CB-CZ3 4.44Å; D137-W195 VanDerWaalsContact CG-CH2 3.46Å; D137-W195 WeakPolarHBondContact OD1-CH2 3.47Å; D137-W195 WeakPolarHBondContact OD1-CZ3 3.17Å; D137-W195 WeakPolarHBondContact OD2-CH2 3.35Å; D137-W195 VanDerWaalsContact OD2-CZ3 3.28Å; D137-W195 WeakPolarHBondContact OD2-CZ3 3.5Å; R138-W195 HydrophobicContact CG-CH2 4.11Å; R138-W195 HydrophobicContact CG-CZ3 4.3Å; F165-W195 HydrophobicContact CE2-CE3 4.14Å; F165-W195 HydrophobicContact CE2-CZ3 4.22Å; F165-W195 HydrophobicContact CZ-CD2 4.45Å; F165-W195 AromaticContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CZ3 4.28Å; K169-W195 HydrophobicContact CB-CD2 4.15Å; K169-W195 HydrophobicContact CB-CG 4.5Å; K169-W195 HydrophobicContact CB-CZ2 4.18Å; K169-W195 HydrophobicContact CD-CH2 3.47Å; K169-W195 VanDerWaalsContact CD-CH2 3.47Å; K169-W195 HydrophobicContact CD-CZ2 3.41Å; K169-W195 VanDerWaalsContact CD-CZ2 3.41Å; K169-W195 HydrophobicContact CD-CZ3 4.03Å; K169-W195 HydrophobicContact CG-CD2 4.05Å; K169-W195 HydrophobicContact CG-CE3 4.1Å; K169-W195 HydrophobicContact CG-CH2 3.93Å; K169-W195 HydrophobicContact CG-CZ2 3.81Å; K169-W195 HydrophobicContact CG-CZ3 4.03Å; L171-W195 HydrophobicContact CD2-CB 3.75Å; L171-W195 HydrophobicContact CD2-CG 3.84Å; T176-W195 CarbonylContact O-C 3.57Å; T176-W195 VanDerWaalsContact O-CA 3.28Å; T176-W195 WeakPolarHBondContact O-CA 3.27Å |
| 196 | K | 96.4 | Very high | 79.4 | Confident | 132 Ų | 132 | 100.1 Ų | 100.1 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.4 | 177.5 | -175.3 | 178.3 | 69.7 | -165.5 | 0 | 109.3 | T176 | T176-K196 PolarHBondContact N-O 3.49Å; T176-K196 PolarHBondContact O-N 2.57Å |
| 197 | R | 95.4 | Very high | 77.8 | Confident | 119 Ų | 119 | 100.8 Ų | 100.8 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | trans | -65.1 | 141.8 | 173.3 | -68.2 | -170.6 | -179 | -76 | -9.3 | 110.2 | K169 R170 D172 D175 A199 | K169-R197 PolarHBondContact O-NH2 2.74Å; R170-R197 PolarHBondContact O-NH1 2.94Å; R170-R197 PolarHBondContact O-NH2 3.41Å; D172-R197 IonicContact OD2-NH1 3.97Å; D175-R197 VanDerWaalsContact OD1-CA 3.25Å; D175-R197 WeakPolarHBondContact OD1-CA 3.07Å; D175-R197 IonicContact OD2-NH1 3.85Å; R197-A199 PolarHBondContact O-N 3.5Å | ||
| 198 | R | 89.7 | Confident | 76.2 | Confident | 140 Ų | 140 | 105.7 Ų | 105.7 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | trans | -54.1 | 130.2 | 168.9 | -175.4 | 174.6 | -77.1 | -166.5 | -8.3 | 108.3 | G174 D175 D200 | G174-R198 PolarHBondContact O-NE 2.84Å; G174-R198 PolarHBondContact O-NH2 3.04Å; D175-R198 PolarHBondContact OD1-N 2.69Å; R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.34Å | ||
| 199 | A | 79.2 | Confident | 74.2 | Confident | 84 Ų | 84 | 112.5 Ų | 112.5 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | trans | -63.2 | 103.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | R197 S201 | R197-A199 PolarHBondContact O-N 3.5Å; A199-S201 PolarHBondContact O-N 2.93Å; A199-S201 PolarHBondContact O-OG 2.96Å | ||
| 200 | D | 61.3 | Low | 72.5 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | trans | -61.1 | 102.9 | -171.7 | -142.5 | -3.8 | 0 | 0 | 0 | 107.5 | R198 R202 | R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.34Å; D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 IonicContact OD1-NE 3.41Å; D200-R202 PolarHBondContact OD1-NE 3.49Å; D200-R202 WeakPolarHBondContact OD2-CD 3.43Å; D200-R202 IonicContact OD2-CZ 3.56Å; D200-R202 IonicContact OD2-NE 3.05Å; D200-R202 PolarHBondContact OD2-NE 3.41Å; D200-R202 IonicContact OD2-NH2 2.97Å | ||
| 201 | S | 53.8 | Low | 70.4 | Confident | 101 Ų | 101 | 112.4 Ų | 112.4 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | trans | -78.5 | 39.8 | 179.2 | -42.7 | 0 | 0 | 0 | 0 | 109.9 | A199 D203 | A199-S201 PolarHBondContact O-N 2.93Å; A199-S201 PolarHBondContact O-OG 2.96Å; S201-D203 PolarHBondContact O-N 2.84Å | ||
| 202 | R | 56.7 | Low | 68.3 | Low | 203 Ų | 203 | 118.5 Ų | 118.5 | 77% | 0.766 | 59% | 0.586 | S | S | * | * | trans | -75.8 | 59.2 | 168.5 | -66.7 | -178.2 | -171.1 | -165.7 | -0.9 | 108.5 | D200 | D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 IonicContact OD1-NE 3.41Å; D200-R202 PolarHBondContact OD1-NE 3.49Å; D200-R202 WeakPolarHBondContact OD2-CD 3.43Å; D200-R202 IonicContact OD2-CZ 3.56Å; D200-R202 IonicContact OD2-NE 3.05Å; D200-R202 PolarHBondContact OD2-NE 3.41Å; D200-R202 IonicContact OD2-NH2 2.97Å | ||
| 203 | D | 48.3 | Very low | 66 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | trans | 158.8 | 100.6 | 151.1 | -92.8 | -35.2 | 0 | 0 | 0 | 109.1 | S201 H205 R206 | S201-D203 PolarHBondContact O-N 2.84Å; D203-H205 PolarHBondContact O-N 3.14Å; D203-R206 HydrophobicContact CB-CB 3.92Å; D203-R206 PolarHBondContact O-N 2.89Å | ||
| 204 | P | 54.7 | Low | 63.8 | Low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 9.9 | 158.6 | 26 | -31.1 | 0 | 0 | 0 | 113.3 | ||
| 205 | H | 55.9 | Low | 61.6 | Low | 160 Ų | 160 | 135.5 Ų | 135.5 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -0.9 | 179.6 | -63.9 | -55.7 | 0 | 0 | 0 | 115.3 | D203 M207 | D203-H205 PolarHBondContact O-N 3.14Å; H205-M207 VanDerWaalsContact C-N 3.35Å; H205-M207 PolarHBondContact O-N 2.94Å; H205-M207 VanDerWaalsContact O-N 3.15Å |
| 206 | R | 46.1 | Very low | 59.5 | Low | 216 Ų | 216 | 140.3 Ų | 140.3 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | trans | -92.2 | 72.2 | 176.8 | -156.7 | 173.6 | -173.8 | -177.3 | 1.5 | 110.5 | D203 | D203-R206 HydrophobicContact CB-CB 3.92Å; D203-R206 PolarHBondContact O-N 2.89Å | ||
| 207 | M | 51.3 | Low | 57.6 | Low | 153 Ų | 153 | 140.9 Ų | 140.9 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -51.8 | 137.8 | 161.5 | -67.8 | -77.3 | -89.9 | 0 | 0 | 108.5 | H205 R209 | H205-M207 VanDerWaalsContact C-N 3.35Å; H205-M207 PolarHBondContact O-N 2.94Å; H205-M207 VanDerWaalsContact O-N 3.15Å; M207-R209 PolarHBondContact O-N 2.61Å | ||
| 208 | P | 52.3 | Low | 55.2 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | trans | -63.3 | 109.3 | 175.6 | 27 | -30.5 | 0 | 0 | 0 | 106.9 | L210 | P208-L210 PolarHBondContact O-N 2.79Š| ||
| 209 | R | 47.1 | Very low | 53.4 | Low | 241 Ų | 241 | 138.3 Ų | 138.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -69.1 | 100 | 173.6 | -74.6 | -160.1 | 161.2 | 127.8 | 2.1 | 107.4 | M207 | M207-R209 PolarHBondContact O-N 2.61Š| ||
| 210 | L | 55.4 | Low | 52.1 | Low | 148 Ų | 148 | 139.3 Ų | 139.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -54.5 | 132.1 | 165.4 | -69.1 | 169 | 0 | 0 | 0 | 108.2 | P208 L212 | P208-L210 PolarHBondContact O-N 2.79Å; L210-L212 PolarHBondContact O-N 3.32Å; L210-L212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | P | 49.1 | Very low | 51.7 | Low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 112.8 | 177.3 | -5.3 | 20.7 | 0 | 0 | 0 | 108.5 | ||||
| 212 | L | 52.8 | Low | 51.3 | Low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -81.5 | 129.1 | 163.5 | -68.1 | 174.6 | 0 | 0 | 0 | 108.2 | L210 M214 | L210-L212 PolarHBondContact O-N 3.32Å; L210-L212 VanDerWaalsContact O-N 3.16Å; L212-M214 PolarHBondContact O-N 3.49Å | ||
| 213 | P | 50.3 | Low | 51.3 | Low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 107.9 | 177.6 | 30.4 | -30.7 | 0 | 0 | 0 | 109.3 | ||||
| 214 | M | 51.7 | Low | 51.6 | Low | 179 Ų | 179 | 148.3 Ų | 148.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -88.6 | 112.2 | 167.4 | -70.3 | -69 | -77.4 | 0 | 0 | 108.5 | L212 | L212-M214 PolarHBondContact O-N 3.49Š| ||
| 215 | A | 49.6 | Very low | 51 | Low | 92 Ų | 92 | 145.9 Ų | 145.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -69.3 | 140.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 216 | P | 52.1 | Low | 50.4 | Low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -84.7 | 119.2 | 176 | 32.5 | -29.1 | 0 | 0 | 0 | 110 | ||||
| 217 | V | 57.6 | Low | 50 | Low | 144 Ų | 144 | 135.9 Ų | 135.9 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -87.8 | 108.5 | 162.2 | 64.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 218 | A | 44.6 | Very low | 49.3 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -71 | 133 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 219 | S | 51.7 | Low | 48.6 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -130 | 116.2 | 159.8 | -165.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 220 | P | 52.4 | Low | 48 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | trans | -106.3 | 116.7 | -178.5 | 34.4 | -23.1 | 0 | 0 | 0 | 110.4 | ||||
| 221 | Y | 51.2 | Low | 47.2 | Very low | 241 Ų | 241 | 120.2 Ų | 120.2 | 95% | 0.945 | 82% | 0.824 | S | S | * | * | trans | -156.4 | 117.3 | 154.8 | -100.1 | -78.1 | 0 | 0 | 0 | 108.9 | ||||
| 222 | G | 46 | Very low | 46.7 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -93 | -131.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 223 | P | 57.8 | Low | 46.2 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -129.5 | 154 | -106.4 | 35.3 | -19.8 | 0 | 0 | 0 | 114.2 | |||||
| 224 | W | 53.3 | Low | 45.6 | Very low | 268 Ų | 268 | 112.9 Ų | 112.9 | 100% | 1.015 | 82% | 0.82 | S | S | * | * | trans | -168.4 | 134.4 | 153.2 | -130.7 | -50.3 | 0 | 0 | 0 | 113.1 | ||||
| 225 | G | 42.6 | Very low | 45.3 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | 101.2 | 95.3 | 125.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 226 | G | 43.2 | Very low | 45.2 | Very low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | 81 | 101 | 112.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 227 | G | 37 | Very low | 45.6 | Very low | 86 Ų | 86 | 120 Ų | 120 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | 74.8 | 125.3 | 118.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 228 | G | 37.8 | Very low | 46 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 139.3 | 91.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 229 | G | 36.9 | Very low | 46.6 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 66.7 | 107 | 125.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 230 | G | 35.4 | Very low | 47 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | 79.4 | 129.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 231 | G | 37.2 | Very low | 47.3 | Very low | 79 Ų | 79 | 118 Ų | 118 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 145.4 | 97.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 232 | A | 38.5 | Very low | 47.7 | Very low | 114 Ų | 114 | 112.4 Ų | 112.4 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -48.9 | 140.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 233 | G | 42.3 | Very low | 48 | Very low | 53 Ų | 53 | 113.7 Ų | 113.7 | 55% | 0.546 | 81% | 0.806 | S | S | . | * | trans | 171.3 | 61.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F235 | G233-F235 WeakPolarHBondContact O-CD2 3.43Å; G233-F235 PolarHBondContact O-N 3.47Å | ||
| 234 | G | 38.7 | Very low | 47.5 | Very low | 84 Ų | 84 | 114 Ų | 114 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -65.6 | 94.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F236 | G234-F236 PolarHBondContact O-N 2.77Š| ||
| 235 | F | 46.4 | Very low | 46.8 | Very low | 193 Ų | 193 | 108.9 Ų | 108.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -90.3 | 88.7 | 163.1 | -66.9 | -79.5 | 0 | 0 | 0 | 108 | G233 M237 | G233-F235 WeakPolarHBondContact O-CD2 3.43Å; G233-F235 PolarHBondContact O-N 3.47Å; F235-M237 PolarHBondContact O-N 2.84Å | ||
| 236 | F | 46.5 | Very low | 46.7 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 101.7 | 166.2 | -175.7 | -99.2 | 0 | 0 | 0 | 108 | G234 P238 | G234-F236 PolarHBondContact O-N 2.77Å; F236-P238 WeakPolarHBondContact O-CD 3.36Å | ||
| 237 | M | 61.5 | Low | 46.3 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -84.6 | 114.9 | 172.1 | -173.3 | -178.2 | 159.8 | 0 | 0 | 108.2 | F235 | F235-M237 PolarHBondContact O-N 2.84Š| ||
| 238 | P | 64.2 | Low | 46.6 | Very low | 87 Ų | 87 | 124 Ų | 124 | 57% | 0.565 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 143.5 | 175.5 | 29.7 | -32.8 | 0 | 0 | 0 | 110.2 | F236 | F236-P238 WeakPolarHBondContact O-CD 3.36Š|
| 239 | P | 57.9 | Low | 46.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.8 | 175.1 | 28.8 | -32.4 | 0 | 0 | 0 | 110.1 | ||
| 240 | A | 60.1 | Low | 47.2 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 241 | P | 59.3 | Low | 47.4 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142 | 172.8 | 30.1 | -32.1 | 0 | 0 | 0 | 109.9 | A243 | P241-A243 PolarHBondContact O-N 2.86Š|
| 242 | P | 59.9 | Low | 47.6 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.7 | 172.2 | 26.4 | -31.8 | 0 | 0 | 0 | 109.8 | T244 | P242-T244 PolarHBondContact O-N 3.08Š|
| 243 | A | 51.7 | Low | 47.8 | Very low | 99 Ų | 99 | 154.1 Ų | 154.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -45.9 | 132.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P241 L245 | P241-A243 PolarHBondContact O-N 2.86Å; A243-L245 PolarHBondContact O-N 3.05Å | ||
| 244 | T | 47.9 | Very low | 47.6 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -53 | 121.6 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | P242 Y246 | P242-T244 PolarHBondContact O-N 3.08Å; T244-Y246 VanDerWaalsContact C-N 3.29Å; T244-Y246 PolarHBondContact O-N 2.9Å | ||
| 245 | L | 38.9 | Very low | 47.6 | Very low | 160 Ų | 160 | 160.5 Ų | 160.5 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -66.4 | 84.5 | 168.1 | -135.8 | 177.1 | 0 | 0 | 0 | 108.7 | A243 | A243-L245 PolarHBondContact O-N 3.05Š| ||
| 246 | Y | 38.6 | Very low | 47.4 | Very low | 216 Ų | 216 | 158 Ų | 158 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -99.6 | 141.9 | 158.5 | -131.4 | -101.6 | 0 | 0 | 0 | 106.1 | T244 | T244-Y246 VanDerWaalsContact C-N 3.29Å; T244-Y246 PolarHBondContact O-N 2.9Å | ||
| 247 | E | 36.6 | Very low | 46.8 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 91.7 | 73.4 | 173.5 | -147.4 | 154.9 | -150.6 | 0 | 0 | 116.8 | ||||
| 248 | H | 43.2 | Very low | 45.8 | Very low | 158 Ų | 158 | 161 Ų | 161 | 73% | 0.731 | 82% | 0.816 | S | S | * | * | trans | -149.6 | 25.1 | 151.5 | -130.3 | -81.3 | 0 | 0 | 0 | 115.1 | ||||
| 249 | H | 43.3 | Very low | 44.4 | Very low | 190 Ų | 190 | 164.2 Ų | 164.2 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -98.2 | 82.3 | 169.2 | -79.5 | -4 | 0 | 0 | 0 | 109.7 | ||
| 250 | R | 42.5 | Very low | 43.9 | Very low | 245 Ų | 245 | 165.8 Ų | 165.8 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -172.7 | 3.8 | 158.4 | -97.8 | -99 | 165.8 | 108.1 | -1.6 | 116.2 | ||
| 251 | F | 40.2 | Very low | 42.7 | Very low | 192 Ų | 192 | 169 Ų | 169 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -124.1 | 22.9 | -174.2 | -119.9 | -83.9 | 0 | 0 | 0 | 116.6 | ||
| 252 | R | 42.1 | Very low | 41.8 | Very low | 248 Ų | 248 | 167.4 Ų | 167.4 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | trans | -139 | 54.4 | 179.2 | -109.1 | -161.2 | 168.9 | 152.9 | 1.3 | 114.5 | ||||
| 253 | Q | 42.1 | Very low | 40.6 | Very low | 198 Ų | 198 | 166.4 Ų | 166.4 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -148.1 | 73 | 166.8 | -80.3 | -176.8 | -39.9 | 0 | 0 | 109.3 | ||
| 254 | A | 37.6 | Very low | 39.9 | Very low | 90 Ų | 90 | 166.3 Ų | 166.3 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | trans | -174.5 | 55.1 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 255 | L | 39.4 | Very low | 39.6 | Very low | 181 Ų | 181 | 164.6 Ų | 164.6 | 95% | 0.948 | 83% | 0.83 | S | S | * | * | trans | -142.3 | 57.2 | 163.5 | -74.4 | 177.3 | 0 | 0 | 0 | 109.3 | ||||
| 256 | D | 41.4 | Very low | 39.9 | Very low | 140 Ų | 140 | 162.6 Ų | 162.6 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | -98.6 | 124.5 | 162.4 | -85.1 | -53.1 | 0 | 0 | 0 | 109 | ||||
| 257 | F | 35.5 | Very low | 40.2 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | 44.3 | 101 | 149.6 | -67.5 | -90.6 | 0 | 0 | 0 | 118.2 | ||||
| 258 | R | 40.4 | Very low | 40.5 | Very low | 237 Ų | 237 | 159.9 Ų | 159.9 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -165.1 | 103.7 | 135.1 | -106 | 161.9 | -165.7 | -162.8 | 4.8 | 112.5 | I260 | R258-I260 PolarHBondContact O-N 2.84Š| ||
| 259 | N | 33.4 | Very low | 40.6 | Very low | 156 Ų | 156 | 161 Ų | 161 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | 0.8 | 102.7 | 135 | -173.3 | 12.2 | 0 | 0 | 0 | 115.4 | ||||
| 260 | I | 47.6 | Very low | 40.7 | Very low | 151 Ų | 151 | 159 Ų | 159 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | trans | -141.1 | 100.8 | 157.9 | -56.8 | 179.8 | 0 | 0 | 0 | 108.8 | R258 A262 | R258-I260 PolarHBondContact O-N 2.84Å; I260-A262 HydrophobicContact CG2-CB 4.22Å | ||
| 261 | N | 36.5 | Very low | 40.8 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -66.2 | 115.9 | 154.9 | -167.8 | 11.6 | 0 | 0 | 0 | 108 | ||||
| 262 | A | 40.4 | Very low | 41.2 | Very low | 81 Ų | 81 | 153.9 Ų | 153.9 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | trans | -165.9 | 113.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111 | I260 | I260-A262 HydrophobicContact CG2-CB 4.22Š| ||
| 263 | A | 33.3 | Very low | 41.3 | Very low | 102 Ų | 102 | 151.8 Ų | 151.8 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -53.8 | 129.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 264 | A | 36.9 | Very low | 41.3 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | 175.8 | 107.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 265 | A | 42.9 | Very low | 41.7 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -60.6 | 160.3 | 146 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 266 | P | 44.4 | Very low | 42 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -159 | -178.4 | 51.6 | 41.7 | -18.4 | 0 | 0 | 0 | 117.9 | |||||
| 267 | A | 43.9 | Very low | 42.6 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 81 | 120.1 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 268 | R | 44.8 | Very low | 43.6 | Very low | 245 Ų | 245 | 141.8 Ų | 141.8 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -54.4 | 130.1 | 171.4 | -63.5 | 160.3 | 73.1 | 170.7 | 3.4 | 111.4 | ||||
| 269 | Q | 43.6 | Very low | 44.8 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -89.3 | 108.8 | 174.3 | -161.8 | 160.2 | 3.3 | 0 | 0 | 109.6 | ||||
| 270 | L | 47 | Very low | 45.9 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -86.7 | 119.2 | 162.2 | -96.1 | 155.1 | 0 | 0 | 0 | 107.6 | F272 | L270-F272 HydrophobicContact CD2-CE2 4.49Š| ||
| 271 | L | 43.7 | Very low | 45.7 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -79.4 | 116.1 | 172.5 | -75.9 | 162 | 0 | 0 | 0 | 109.4 | ||||
| 272 | F | 48.9 | Very low | 46.3 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -114.7 | 122.9 | 159.6 | -82.7 | -86.5 | 0 | 0 | 0 | 108.6 | L270 | L270-F272 HydrophobicContact CD2-CE2 4.49Š| ||
| 273 | F | 43.1 | Very low | 46.9 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -78.1 | 132.3 | 171.1 | -83.2 | -98.4 | 0 | 0 | 0 | 109.6 | ||||
| 274 | G | 42.5 | Very low | 48 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -170.7 | 124.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 275 | S | 45.4 | Very low | 49.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -63.1 | 146.4 | -164.9 | -69.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 276 | A | 47 | Very low | 49.4 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | 16.1 | 123.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 277 | G | 53.4 | Low | 49.8 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 167.6 | 96.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 278 | M | 57.7 | Low | 50.2 | Low | 189 Ų | 189 | 153.6 Ų | 153.6 | 93% | 0.931 | 84% | 0.835 | S | S | * | * | trans | -77.9 | 162.6 | 179.9 | -124 | -125.9 | 137.8 | 0 | 0 | 112.9 | ||||
| 279 | P | 65.3 | Low | 50.8 | Low | 92 Ų | 92 | 150.5 Ų | 150.5 | 60% | 0.597 | 83% | 0.831 | S | S | * | * | trans | -105.8 | -165.8 | -155.1 | 43.4 | -34.1 | 0 | 0 | 0 | 113.7 | ||||
| 280 | P | 55 | Low | 52 | Low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | -155 | 162.4 | 91.6 | 37.8 | -17.2 | 0 | 0 | 0 | 118.6 | |||||
| 281 | R | 44.8 | Very low | 53.5 | Low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | 44.5 | 115.8 | 145.2 | -70.9 | 173.4 | 100.5 | 170 | 5.2 | 119.9 | ||||
| 282 | A | 49.5 | Very low | 55.2 | Low | 91 Ų | 91 | 144.3 Ų | 144.3 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -160 | 125.2 | 132.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 283 | S | 51.4 | Low | 56.4 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 56.5 | 101.7 | 147.8 | 41.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 284 | M | 57.2 | Low | 57.9 | Low | 193 Ų | 193 | 136.6 Ų | 136.6 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 137.7 | 156.7 | -75.2 | -175.5 | 152.3 | 0 | 0 | 111.4 | ||
| 285 | P | 62.4 | Low | 59.1 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 136.3 | 149.8 | 31.3 | -24.8 | 0 | 0 | 0 | 110.4 | Q287 | P285-Q287 PolarHBondContact O-N 3Š|
| 286 | Q | 47.3 | Very low | 60.3 | Low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124.7 | 169 | -77.6 | -175.3 | 18.9 | 0 | 0 | 110.2 | ||
| 287 | Q | 51.7 | Low | 61.2 | Low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -103.7 | 112.6 | 166.5 | -154.4 | 174 | 40.5 | 0 | 0 | 108.3 | P285 | P285-Q287 PolarHBondContact O-N 3Š| ||
| 288 | Q | 53.1 | Low | 60.9 | Low | 180 Ų | 180 | 144.3 Ų | 144.3 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 133 | 177 | -84.2 | 165 | -34.2 | 0 | 0 | 111.4 | ||
| 289 | Q | 56.4 | Low | 60.3 | Low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.9 | 170.7 | -161.9 | 175.5 | -8.6 | 0 | 0 | 109.4 | ||
| 290 | P | 69.7 | Low | 59.3 | Low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.8 | 178.9 | 26.9 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 291 | P | 77.8 | Confident | 59 | Low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 152.8 | 175.4 | 28.4 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 292 | P | 78.8 | Confident | 59 | Low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149 | 173.2 | 27.4 | -34.3 | 0 | 0 | 0 | 111 | ||
| 293 | P | 75 | Confident | 58.7 | Low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 141.4 | -179.5 | 26.3 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 294 | P | 74.7 | Confident | 58.9 | Low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.9 | 175.7 | 28.2 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 295 | H | 68 | Low | 58.1 | Low | 165 Ų | 165 | 146.2 Ų | 146.2 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139.3 | 167.4 | 33 | -95.3 | 0 | 0 | 0 | 110.4 | ||
| 296 | P | 70.9 | Confident | 58.3 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 137.5 | 173.4 | 28.1 | -32.2 | 0 | 0 | 0 | 109.7 | ||
| 297 | P | 64.5 | Low | 58.2 | Low | 93 Ų | 93 | 142.5 Ų | 142.5 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 147.7 | 176.3 | 29.5 | -32.4 | 0 | 0 | 0 | 110.7 | H299 | P297-H299 PolarHBondContact O-N 2.87Š|
| 298 | L | 46.8 | Very low | 58.2 | Low | 178 Ų | 178 | 138.9 Ų | 138.9 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -55 | 103.5 | 165.5 | -67.5 | 170 | 0 | 0 | 0 | 109.2 | S300 | L298-S300 PolarHBondContact O-N 2.94Š| ||
| 299 | H | 46.7 | Very low | 58.2 | Low | 168 Ų | 168 | 135 Ų | 135 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | -88.4 | 103.3 | 167.9 | -84.5 | -145.9 | 0 | 0 | 0 | 109 | P297 | P297-H299 PolarHBondContact O-N 2.87Š| ||
| 300 | S | 42.6 | Very low | 58.5 | Low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 9.1 | 114.6 | 145.2 | -152.2 | 0 | 0 | 0 | 0 | 115.9 | L298 M302 | L298-S300 PolarHBondContact O-N 2.94Å; S300-M302 PolarHBondContact O-N 3.24Å | ||
| 301 | I | 49.5 | Very low | 57.5 | Low | 157 Ų | 157 | 133 Ų | 133 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -54.1 | 105.5 | 162 | -64.3 | 164.4 | 0 | 0 | 0 | 107.8 | ||||
| 302 | M | 44.7 | Very low | 56.2 | Low | 172 Ų | 172 | 134 Ų | 134 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -78 | 117.6 | 158.8 | -84.2 | -143 | 82.1 | 0 | 0 | 108.3 | S300 V304 | S300-M302 PolarHBondContact O-N 3.24Å; M302-V304 PolarHBondContact O-N 3.43Å; M302-V304 VanDerWaalsContact O-N 3.16Å | ||
| 303 | L | 43.4 | Very low | 54.6 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -54.9 | 109.6 | 163.7 | -74.6 | 153.3 | 0 | 0 | 0 | 109.5 | ||||
| 304 | V | 55 | Low | 53 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -98.5 | 107.7 | 154.5 | 171.1 | 0 | 0 | 0 | 0 | 106.7 | M302 P306 | M302-V304 PolarHBondContact O-N 3.43Å; M302-V304 VanDerWaalsContact O-N 3.16Å; V304-P306 WeakPolarHBondContact O-CD 3.25Å | ||
| 305 | Q | 41.6 | Very low | 51.9 | Low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.3 | 173.2 | 179.8 | -176.9 | 49.5 | 0 | 0 | 110.5 | ||
| 306 | P | 65.5 | Low | 50.9 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 125.5 | 160.4 | 16.4 | -2.3 | 0 | 0 | 0 | 109.6 | V304 | V304-P306 WeakPolarHBondContact O-CD 3.25Š|
| 307 | S | 45.9 | Very low | 50.3 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.6 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 308 | P | 51 | Low | 49.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 140.5 | -174.5 | 36.7 | -30.3 | 0 | 0 | 0 | 112.7 | ||
| 309 | A | 53.8 | Low | 49.5 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -157.1 | 151.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 310 | P | 62.9 | Low | 49.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | -105.2 | 178.9 | -123.4 | 41.5 | -39 | 0 | 0 | 0 | 114.7 | |||||
| 311 | P | 47.9 | Very low | 49.5 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -94.1 | 153.8 | -149.4 | 37.1 | -34.2 | 0 | 0 | 0 | 114.7 | ||||
| 312 | T | 49.9 | Very low | 49.5 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -128.8 | 114.3 | 162.8 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 313 | A | 45.4 | Very low | 49.8 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 55.6 | 95.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 314 | S | 43.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 44.9 | 105.2 | 119.7 | 61.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 315 | V | 50.1 | Low | 49.4 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | -157.3 | 119.7 | 122 | -163.4 | 0 | 0 | 0 | 0 | 108.1 | M317 | V315-M317 HydrophobicContact CG1-CG 4.26Š| |||
| 316 | P | 47.9 | Very low | 49.4 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 117.7 | 163.4 | 32 | -24.5 | 0 | 0 | 0 | 108.5 | ||
| 317 | M | 57.6 | Low | 47.9 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 127.9 | 162.4 | -68 | -149.1 | 80.8 | 0 | 0 | 109.4 | V315 | V315-M317 HydrophobicContact CG1-CG 4.26Š|
| 318 | L | 50.4 | Low | 48.1 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 135.7 | -165.4 | -172 | 150.6 | 0 | 0 | 0 | 110.5 | D320 | L318-D320 PolarHBondContact O-N 3.32Š|
| 319 | L | 43.6 | Very low | 47.9 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 112.5 | 168.1 | -102.6 | 71.3 | 0 | 0 | 0 | 108.2 | ||||
| 320 | D | 44.5 | Very low | 47.5 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 137.8 | 177.5 | -144.2 | -30.6 | 0 | 0 | 0 | 110.4 | L318 | L318-D320 PolarHBondContact O-N 3.32Š|
| 321 | S | 46.7 | Very low | 46.9 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 142.4 | -161.1 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 322 | V | 49 | Very low | 47.4 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.8 | 163.7 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L324 | V322-L324 PolarHBondContact O-N 3.46Š|
| 323 | P | 51.2 | Low | 48.3 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -67.6 | 110.7 | 174.2 | 25.5 | -30.7 | 0 | 0 | 0 | 109.4 | V325 | P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 PolarHBondContact O-N 2.94Å | ||
| 324 | L | 44.6 | Very low | 49.7 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 91 | 159.2 | 178.9 | 67.9 | 0 | 0 | 0 | 107.9 | V322 N326 | V322-L324 PolarHBondContact O-N 3.46Å; L324-N326 PolarHBondContact O-N 2.84Å | ||
| 325 | V | 43.7 | Very low | 51.5 | Low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -78 | 97.5 | 165.5 | 66.4 | 0 | 0 | 0 | 0 | 107.8 | P323 S327 | P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 PolarHBondContact O-N 2.94Å; V325-S327 PolarHBondContact O-N 3.26Å | ||
| 326 | N | 42.1 | Very low | 53.4 | Low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -69.2 | 85 | 161.9 | -109.2 | 21 | 0 | 0 | 0 | 107.8 | L324 | L324-N326 PolarHBondContact O-N 2.84Š| ||
| 327 | S | 34.7 | Very low | 54.8 | Low | 66 Ų | 66 | 129 Ų | 129 | 46% | 0.462 | 72% | 0.724 | S | S | . | * | trans | -107.4 | 103.5 | 162.7 | 28 | 0 | 0 | 0 | 0 | 108.1 | V325 T329 | V325-S327 PolarHBondContact O-N 3.26Å; S327-T329 PolarHBondContact O-N 3.44Å | ||
| 328 | P | 50.6 | Low | 55.9 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -74.9 | 77.1 | 174.4 | 31 | -31.9 | 0 | 0 | 0 | 108.4 | ||
| 329 | T | 45.9 | Very low | 57.2 | Low | 143 Ų | 143 | 126 Ų | 126 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | trans | 174.3 | 59.3 | 156.9 | -64.2 | 0 | 0 | 0 | 0 | 106.3 | S327 | S327-T329 PolarHBondContact O-N 3.44Š| ||
| 330 | A | 44.4 | Very low | 59.1 | Low | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | trans | -96.4 | 97.9 | 174 | 0 | 0 | 0 | 0 | 0 | 108.5 | S332 | A330-S332 PolarHBondContact O-N 3.18Å; A330-S332 VanDerWaalsContact O-N 3.08Å | ||
| 331 | A | 50.4 | Low | 60.8 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -55.5 | 115.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | K333 | A331-K333 PolarHBondContact O-N 2.84Š| ||
| 332 | S | 60.3 | Low | 62.4 | Low | 101 Ų | 101 | 118.5 Ų | 118.5 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -59.7 | 110.2 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | A330 R334 | A330-S332 PolarHBondContact O-N 3.18Å; A330-S332 VanDerWaalsContact O-N 3.08Å; S332-R334 PolarHBondContact O-N 3.05Å; S332-R334 VanDerWaalsContact O-N 3.1Å | ||
| 333 | K | 66.9 | Low | 63.9 | Low | 198 Ų | 198 | 117.5 Ų | 117.5 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -65.7 | 110 | 171.7 | -73.6 | 177.1 | 179.1 | 170.6 | 0 | 107.9 | A331 V335 | A331-K333 PolarHBondContact O-N 2.84Å; K333-V335 PolarHBondContact O-N 3.41Å | ||
| 334 | R | 75.3 | Confident | 64.3 | Low | 157 Ų | 157 | 119 Ų | 119 | 59% | 0.592 | 67% | 0.665 | S | S | * | * | trans | -69 | 116.7 | 175.1 | -62.2 | 174.9 | 72.1 | -171.2 | 7.4 | 108.3 | S332 N341 D343 | S332-R334 PolarHBondContact O-N 3.05Å; S332-R334 VanDerWaalsContact O-N 3.1Å; R334-N341 VanDerWaalsContact NH2-CG 3.32Å; R334-N341 PolarHBondContact NH2-ND2 2.95Å; R334-D343 IonicContact NE-OD1 3.99Å; R334-D343 IonicContact NH2-OD1 3.7Å | ||
| 335 | V | 81 | Confident | 65.4 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 53% | 0.527 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.1 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | K333 L342 | K333-V335 PolarHBondContact O-N 3.41Å; V335-L342 HydrophobicContact CB-CD1 4.47Å; V335-L342 HydrophobicContact CG1-CD1 4.02Å; V335-L342 PolarHBondContact O-N 2.95Å |
| 336 | R | 89.4 | Confident | 65.8 | Low | 166 Ų | 166 | 118.9 Ų | 118.9 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.2 | 169.6 | -84.8 | 178.4 | 153.8 | 161.7 | -6.7 | 109.1 | V340 N341 | R336-V340 VanDerWaalsContact CA-O 3.3Å; R336-V340 WeakPolarHBondContact CA-O 3.4Å; R336-N341 WeakPolarHBondContact CG-OD1 3.38Å; R336-N341 PolarHBondContact NE-ND2 3.41Å; R336-N341 PolarHBondContact NE-OD1 3.15Å; R336-N341 VanDerWaalsContact NE-OD1 3.11Å; R336-N341 PolarHBondContact NH2-ND2 2.92Å |
| 337 | L | 77.8 | Confident | 65.8 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.1 | 169.3 | -158.5 | 74.4 | 0 | 0 | 0 | 107.2 | G339 V340 L342 | L337-G339 PolarHBondContact O-N 2.88Å; L337-V340 PolarHBondContact N-O 2.86Å; L337-V340 WeakPolarHBondContact O-CG2 3.46Å; L337-V340 PolarHBondContact O-N 3.34Å; L337-V340 VanDerWaalsContact O-N 3.08Å; L337-L342 HydrophobicContact CB-CD1 4.32Å |
| 338 | F | 80.2 | Confident | 66.2 | Low | 201 Ų | 201 | 117.2 Ų | 117.2 | 88% | 0.882 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.3 | 27.8 | -178.7 | -49.6 | -70.5 | 0 | 0 | 0 | 115.9 | V340 | F338-V340 VanDerWaalsContact C-N 3.35Å; F338-V340 PolarHBondContact O-N 2.89Å |
| 339 | G | 79.3 | Confident | 65.7 | Low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.1 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L337 | L337-G339 PolarHBondContact O-N 2.88Š|
| 340 | V | 82.3 | Confident | 65.4 | Low | 99 Ų | 99 | 116.5 Ų | 116.5 | 60% | 0.6 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.4 | 169.9 | -83.5 | 0 | 0 | 0 | 0 | 110.6 | R336 L337 F338 | R336-V340 VanDerWaalsContact CA-O 3.3Å; R336-V340 WeakPolarHBondContact CA-O 3.4Å; L337-V340 PolarHBondContact N-O 2.86Å; L337-V340 WeakPolarHBondContact O-CG2 3.46Å; L337-V340 PolarHBondContact O-N 3.34Å; L337-V340 VanDerWaalsContact O-N 3.08Å; F338-V340 VanDerWaalsContact C-N 3.35Å; F338-V340 PolarHBondContact O-N 2.89Å |
| 341 | N | 80.8 | Confident | 65.3 | Low | 46 Ų | 46 | 117 Ų | 117 | 25% | 0.246 | 67% | 0.67 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.4 | 172 | -73.6 | -70.4 | 0 | 0 | 0 | 108.9 | R334 R336 | R334-N341 VanDerWaalsContact NH2-CG 3.32Å; R334-N341 PolarHBondContact NH2-ND2 2.95Å; R336-N341 WeakPolarHBondContact CG-OD1 3.38Å; R336-N341 PolarHBondContact NE-ND2 3.41Å; R336-N341 PolarHBondContact NE-OD1 3.15Å; R336-N341 VanDerWaalsContact NE-OD1 3.11Å; R336-N341 PolarHBondContact NH2-ND2 2.92Å |
| 342 | L | 80.9 | Confident | 64.9 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 56% | 0.555 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 96.2 | 167.4 | -73.8 | 147.8 | 0 | 0 | 0 | 107.3 | V335 L337 | V335-L342 HydrophobicContact CB-CD1 4.47Å; V335-L342 HydrophobicContact CG1-CD1 4.02Å; V335-L342 PolarHBondContact O-N 2.95Å; L337-L342 HydrophobicContact CB-CD1 4.32Å |
| 343 | D | 80.2 | Confident | 63.9 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | trans | -86 | 109.9 | 173.7 | -53.3 | -64.4 | 0 | 0 | 0 | 107.7 | R334 | R334-D343 IonicContact NE-OD1 3.99Å; R334-D343 IonicContact NH2-OD1 3.7Å | ||
| 344 | N | 60.2 | Low | 62.7 | Low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122.4 | 177.9 | -170.5 | 40.9 | 0 | 0 | 0 | 109.4 | Q346 | N344-Q346 PolarHBondContact O-N 3.16Š|
| 345 | P | 67.8 | Low | 61.2 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.4 | 176.3 | 26.1 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 346 | Q | 50.6 | Low | 59.4 | Low | 157 Ų | 157 | 121.4 Ų | 121.4 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.9 | 170.4 | -101.5 | -80.5 | -46.6 | 0 | 0 | 110 | N344 G348 | N344-Q346 PolarHBondContact O-N 3.16Å; Q346-G348 PolarHBondContact O-N 3.23Å |
| 347 | P | 43.7 | Very low | 57.3 | Low | 120 Ų | 120 | 117.1 Ų | 117.1 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -83 | 103.6 | 168.3 | 31.1 | -28.1 | 0 | 0 | 0 | 109.2 | ||||
| 348 | G | 41.7 | Very low | 55.5 | Low | 54 Ų | 54 | 120 Ų | 120 | 56% | 0.557 | 71% | 0.712 | S | S | * | * | trans | -138.5 | 91.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q346 | Q346-G348 PolarHBondContact O-N 3.23Š| ||
| 349 | T | 39.6 | Very low | 53.7 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | trans | 34.8 | 98 | 145.4 | 63.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 350 | S | 41.3 | Very low | 51.8 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 178.3 | 113.4 | 136 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 351 | A | 41.2 | Very low | 50 | Low | 91 Ų | 91 | 119.7 Ų | 119.7 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | 39.7 | 142.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 352 | E | 41.8 | Very low | 48.4 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 97.6 | 102.4 | 153.4 | -48.8 | -165.1 | 104.5 | 0 | 0 | 118.5 | ||||
| 353 | S | 40.1 | Very low | 46.6 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 64.2 | 122.5 | 136.1 | 68.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 354 | S | 41.3 | Very low | 45.3 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 78 | 107.8 | 134.7 | -58.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 355 | Q | 44.2 | Very low | 45.2 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | 24.4 | 112.4 | 128.2 | -66.7 | 171.6 | -3 | 0 | 0 | 116.1 | |||||
| 356 | D | 42.9 | Very low | 43.8 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | 177 | 158.6 | 106.7 | -91.2 | -41.3 | 0 | 0 | 0 | 111.2 | |||||
| 357 | A | 45.4 | Very low | 43.6 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | trans | -73 | 168.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 358 | N | 41 | Very low | 43.7 | Very low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 81.2 | 142.7 | 146.7 | -69.5 | -43.4 | 0 | 0 | 0 | 119.7 | ||||
| 359 | A | 41.5 | Very low | 43.9 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 77.6 | 81.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | S361 | A359-S361 VanDerWaalsContact C-N 3.25Å; A359-S361 PolarHBondContact O-N 2.96Å | ||
| 360 | L | 39.9 | Very low | 44.5 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 85.6 | 148.1 | -72.8 | 175.2 | 0 | 0 | 0 | 109.4 | ||||
| 361 | S | 43.4 | Very low | 45.2 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 109 | 152.7 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | A359 | A359-S361 VanDerWaalsContact C-N 3.25Å; A359-S361 PolarHBondContact O-N 2.96Å | ||
| 362 | L | 47.4 | Very low | 45.7 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -110 | 113.1 | 167.5 | -79.4 | 171.2 | 0 | 0 | 0 | 110 | ||||
| 363 | R | 42.8 | Very low | 46 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 136.1 | 178.9 | -70 | 165.2 | 97.7 | 180 | 7.2 | 111.6 | ||
| 364 | T | 53 | Low | 46.4 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131.1 | 159.5 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 365 | P | 58.4 | Low | 46.4 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 123.7 | 164.3 | 27.8 | -26.8 | 0 | 0 | 0 | 108.7 | W367 | P365-W367 PolarHBondContact O-N 3.44Š|
| 366 | G | 39.9 | Very low | 46.3 | Very low | 75 Ų | 75 | 153.5 Ų | 153.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 118.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q368 | G366-Q368 PolarHBondContact O-N 3.31Š|
| 367 | W | 45.9 | Very low | 46.3 | Very low | 239 Ų | 239 | 153 Ų | 153 | 91% | 0.905 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 104.6 | 166.8 | -75 | 17.9 | 0 | 0 | 0 | 108.3 | P365 R369 | P365-W367 PolarHBondContact O-N 3.44Å; W367-R369 PolarHBondContact O-N 3.46Å | ||
| 368 | Q | 45.5 | Very low | 46.2 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.1 | 165.1 | -78.8 | -176.9 | -34.7 | 0 | 0 | 109.2 | G366 | G366-Q368 PolarHBondContact O-N 3.31Š|
| 369 | R | 45.6 | Very low | 46.9 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.7 | 171.5 | -65.3 | 179 | 178.8 | -146.5 | -0.5 | 109.5 | W367 G371 | W367-R369 PolarHBondContact O-N 3.46Å; R369-G371 PolarHBondContact O-N 3.21Å |
| 370 | P | 52.2 | Low | 47.2 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71 | 122.5 | 158.3 | -9.8 | 26.2 | 0 | 0 | 0 | 108.5 | ||
| 371 | G | 56.5 | Low | 47.1 | Very low | 58 Ų | 58 | 163 Ų | 163 | 60% | 0.598 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 163.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R369 L373 | R369-G371 PolarHBondContact O-N 3.21Å; G371-L373 PolarHBondContact O-N 3.44Å |
| 372 | P | 51.7 | Low | 47.3 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123 | -174.4 | 30.7 | -31.2 | 0 | 0 | 0 | 110.5 | ||
| 373 | L | 48.5 | Very low | 47.2 | Very low | 177 Ų | 177 | 158.1 Ų | 158.1 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.8 | 171.6 | -77.7 | 177.3 | 0 | 0 | 0 | 111.3 | G371 | G371-L373 PolarHBondContact O-N 3.44Š|
| 374 | R | 48.5 | Very low | 47.4 | Very low | 223 Ų | 223 | 155.2 Ų | 155.2 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138.1 | -173.1 | -64.5 | -86.4 | -177.2 | 119.1 | -5.4 | 111.8 | ||
| 375 | F | 40.2 | Very low | 47.4 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 119.6 | 157.4 | -122.4 | -97.1 | 0 | 0 | 0 | 108.3 | ||
| 376 | F | 43.1 | Very low | 46.9 | Very low | 174 Ų | 174 | 155.6 Ų | 155.6 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | -176.1 | 141.5 | 170 | -115.7 | -91.5 | 0 | 0 | 0 | 104 | ||||
| 377 | E | 42.4 | Very low | 47.7 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | cis | -169 | 142.6 | -13 | 173.6 | 152.5 | 135.3 | 0 | 0 | 103 | ||||
| 378 | S | 42.8 | Very low | 48 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 137.7 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 379 | P | 54.9 | Low | 48.3 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.5 | 159.9 | -3.3 | 23.3 | 0 | 0 | 0 | 111.2 | ||
| 380 | Q | 49 | Very low | 48.9 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.6 | 171 | -70.8 | -174.6 | -55.1 | 0 | 0 | 112.3 | ||
| 381 | R | 38.1 | Very low | 49 | Very low | 256 Ų | 256 | 141 Ų | 141 | 97% | 0.966 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.4 | 162.3 | -88.1 | -173.9 | 174 | -169.5 | -1.6 | 110 | ||
| 382 | G | 46.8 | Very low | 48.9 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -124.8 | 142.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 383 | A | 46 | Very low | 48.6 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -29.2 | 153.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 384 | E | 47.4 | Very low | 48.6 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | cis | 174.8 | 169 | 44.2 | 42.6 | -158.9 | 72.9 | 0 | 0 | 109 | ||||
| 385 | S | 51.5 | Low | 48.5 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | 100.7 | 121.6 | 159 | 76.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 386 | S | 47.8 | Very low | 49.4 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -88.5 | 148.9 | -167.2 | -38.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 387 | A | 56.6 | Low | 50 | Low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | 168.9 | 105.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 388 | A | 52.7 | Low | 50.9 | Low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | 103.1 | 132.5 | 83.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 389 | S | 52.3 | Low | 51.9 | Low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | 101.6 | 119 | 155.4 | -36.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 390 | S | 57.4 | Low | 51.5 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -69.9 | 163.1 | -175 | -44.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 391 | P | 54.9 | Low | 52.4 | Low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -94.8 | 145.7 | 173.4 | 36 | -30 | 0 | 0 | 0 | 112.6 | ||||
| 392 | S | 53.5 | Low | 53.4 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -139.4 | 147.3 | 164.6 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 393 | S | 46.7 | Very low | 54 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -68.7 | 145.1 | -167.5 | 47.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 394 | S | 48.8 | Very low | 55 | Low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -167 | 113.8 | 145.1 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 395 | S | 46.7 | Very low | 56 | Low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | 72.2 | 96.5 | 100.2 | -161.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 396 | S | 57.3 | Low | 56.8 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -104.5 | 123.3 | 171.7 | -99.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 397 | S | 56.3 | Low | 58 | Low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -61.8 | 141.3 | 176.9 | -44.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 398 | K | 60.7 | Low | 58.4 | Low | 215 Ų | 215 | 139 Ų | 139 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -136 | 120.5 | 152.5 | -155.9 | 167.4 | -177.3 | 175.7 | 0 | 109.6 | ||||
| 399 | R | 64.2 | Low | 58.8 | Low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 86% | 0.855 | S | S | * | * | trans | -73.7 | 129.5 | -168.2 | 173.4 | 174.6 | 175.8 | -123.3 | 2.1 | 111.7 | ||||
| 400 | E | 48 | Very low | 59.1 | Low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 86% | 0.855 | S | S | * | * | trans | -57.9 | 135.7 | 157.7 | -85.7 | 158.7 | 98 | 0 | 0 | 110.6 | H402 | E400-H402 IonicContact OE1-CE1 3.66Š| ||
| 401 | A | 66.4 | Low | 59.2 | Low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -135.8 | 114.8 | 160 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 402 | H | 59.6 | Low | 59.5 | Low | 160 Ų | 160 | 150.1 Ų | 150.1 | 74% | 0.741 | 86% | 0.857 | S | S | * | * | trans | -77.1 | 139.9 | 178.9 | -50.9 | -104.9 | 0 | 0 | 0 | 109.5 | E400 | E400-H402 IonicContact OE1-CE1 3.66Š| ||
| 403 | S | 60.3 | Low | 59.8 | Low | 113 Ų | 113 | 151.8 Ų | 151.8 | 79% | 0.79 | 86% | 0.858 | S | S | * | * | trans | -158.3 | 97.5 | 144.6 | 62.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 404 | S | 65.6 | Low | 60.7 | Low | 120 Ų | 120 | 153.9 Ų | 153.9 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124.8 | 159.6 | 53.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 405 | L | 68.7 | Low | 61.4 | Low | 169 Ų | 169 | 156.6 Ų | 156.6 | 89% | 0.885 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 116.8 | 160.3 | -80.5 | 167.6 | 0 | 0 | 0 | 107.3 | ||
| 406 | D | 68.7 | Low | 62.5 | Low | 160 Ų | 160 | 159.1 Ų | 159.1 | 86% | 0.856 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 133.8 | 173.2 | -158.1 | 37 | 0 | 0 | 0 | 108.9 | ||
| 407 | L | 73.3 | Confident | 62.9 | Low | 162 Ų | 162 | 161.5 Ų | 161.5 | 85% | 0.848 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 127.2 | 173.9 | -94 | 163.8 | 0 | 0 | 0 | 108.5 | L409 | L407-L409 PolarHBondContact O-N 2.96Š|
| 408 | D | 64 | Low | 63.4 | Low | 156 Ų | 156 | 164.9 Ų | 164.9 | 83% | 0.834 | 87% | 0.865 | S | S | * | * | trans | -40.9 | 122.3 | 159.4 | -88.2 | -77.3 | 0 | 0 | 0 | 112.1 | ||||
| 409 | L | 62 | Low | 63.7 | Low | 246 Ų | 246 | 160.4 Ų | 160.4 | 100% | 1.288 | 86% | 0.858 | S | S | * | * | -171 | 0 | 123.2 | -121.9 | 97.6 | 0 | 0 | 0 | 112 | L407 | L407-L409 PolarHBondContact O-N 2.96Š|
Retrieved 409 of 409 residues in 272.2 ms
(Link to these results)