| 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 | 47.5 | Very low | 73.7 | Confident | 252 Ų | 252 | 120.9 Ų | 120.9 | 100% | 1.241 | 67% | 0.666 | S | S | * | * | 0 | 93.2 | 0 | -69.9 | -170.4 | 172 | 0 | 0 | 107.3 | |||||
| 2 | A | 58.4 | Low | 74.7 | Confident | 90 Ų | 90 | 116.6 Ų | 116.6 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | trans | -171 | 82 | 175.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 3 | Q | 63.6 | Low | 75.6 | Confident | 154 Ų | 154 | 113.5 Ų | 113.5 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | trans | -121 | -18.7 | 179.8 | -136.1 | 161.5 | -16.1 | 0 | 0 | 112.5 | ||||
| 4 | D | 73.6 | Confident | 76.2 | Confident | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | trans | -127.5 | 111.6 | -179.5 | -51 | -55.2 | 0 | 0 | 0 | 110 | ||||
| 5 | W | 63.7 | Low | 76.9 | Confident | 201 Ų | 201 | 116.7 Ų | 116.7 | 76% | 0.761 | 61% | 0.606 | S | S | * | * | B | Isolated β-bridge | trans | -86 | 123.1 | 168.6 | -77.3 | 77.6 | 0 | 0 | 0 | 107.8 | G7 F8 | W5-G7 PolarHBondContact O-N 3.18Å; W5-F8 WeakPolarHBondContact O-CB 3.46Å; W5-F8 PolarHBondContact O-N 2.86Å |
| 6 | A | 77.1 | Confident | 77.2 | Confident | 105 Ų | 105 | 115.8 Ų | 115.8 | 87% | 0.868 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.4 | 26.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F8 | A6-F8 VanDerWaalsContact C-N 3.28Å; A6-F8 PolarHBondContact O-N 3.28Å |
| 7 | G | 84.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | 11.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | W5 | W5-G7 PolarHBondContact O-N 3.18Š|
| 8 | F | 82.9 | Confident | 77.3 | Confident | 100 Ų | 100 | 121.3 Ų | 121.3 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -93.9 | 134.7 | 169.2 | -87.2 | -96.9 | 0 | 0 | 0 | 110.3 | W5 A6 E12 L13 | W5-F8 WeakPolarHBondContact O-CB 3.46Å; W5-F8 PolarHBondContact O-N 2.86Å; A6-F8 VanDerWaalsContact C-N 3.28Å; A6-F8 PolarHBondContact O-N 3.28Å; F8-E12 HydrophobicContact CD1-CB 3.66Å; F8-E12 HydrophobicContact CD1-CG 4.47Å; F8-E12 HydrophobicContact CE1-CB 4.33Å; F8-L13 HydrophobicContact CB-CG 4.43Å |
| 9 | S | 87.2 | Confident | 77 | Confident | 34 Ų | 34 | 120.8 Ų | 120.8 | 24% | 0.238 | 62% | 0.616 | C | S | . | * | trans | -73.5 | 154.8 | 169.4 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | E11 E12 L13 | S9-E11 PolarHBondContact O-N 3.14Å; S9-E12 WeakPolarHBondContact CB-OE2 3.44Å; S9-E12 PolarHBondContact N-OE2 2.98Å; S9-E12 WeakPolarHBondContact O-CB 3.38Å; S9-E12 PolarHBondContact O-N 3.31Å; S9-E12 WeakPolarHBondContact OG-CG 3.32Å; S9-E12 PolarHBondContact OG-N 3.49Å; S9-E12 PolarHBondContact OG-OE2 2.75Å; S9-L13 PolarHBondContact O-N 3.46Å; S9-L13 VanDerWaalsContact O-N 3.09Å | ||
| 10 | E | 85.7 | Confident | 76.6 | Confident | 118 Ų | 118 | 122.6 Ų | 122.6 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.7 | -33.1 | 178.4 | -177.3 | 147.3 | -169.6 | 0 | 0 | 112.6 | E12 L13 R14 | E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 2.85Å; E10-L13 PolarHBondContact O-N 2.92Å; E10-R14 WeakPolarHBondContact O-CG 3.26Å; E10-R14 PolarHBondContact O-N 3Å |
| 11 | E | 85.8 | Confident | 76.1 | Confident | 92 Ų | 92 | 120 Ų | 120 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64 | -36.8 | 172.3 | -72 | 57.5 | -123.8 | 0 | 0 | 112.2 | S9 R14 R15 | S9-E11 PolarHBondContact O-N 3.14Å; E11-R14 PolarHBondContact O-N 2.83Å; E11-R14 IonicContact OE1-CZ 2.76Å; E11-R14 IonicContact OE1-NH2 3.98Å; E11-R14 PolarHBondContact OE1-NH2 3.38Å; E11-R15 VanDerWaalsContact C-NH1 3.28Å; E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 3.04Å; E11-R15 VanDerWaalsContact O-N 3.08Å; E11-R15 PolarHBondContact O-NH1 3.12Å; E11-R15 VanDerWaalsContact O-NH1 3.13Å |
| 12 | E | 86.8 | Confident | 76.9 | Confident | 69 Ų | 69 | 113.5 Ų | 113.5 | 32% | 0.322 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.8 | -40.7 | 176.1 | -73.7 | 164.4 | 144.2 | 0 | 0 | 111.7 | F8 S9 E10 R14 R15 L16 | F8-E12 HydrophobicContact CD1-CB 3.66Å; F8-E12 HydrophobicContact CD1-CG 4.47Å; F8-E12 HydrophobicContact CE1-CB 4.33Å; S9-E12 WeakPolarHBondContact CB-OE2 3.44Å; S9-E12 PolarHBondContact N-OE2 2.98Å; S9-E12 WeakPolarHBondContact O-CB 3.38Å; S9-E12 PolarHBondContact O-N 3.31Å; S9-E12 WeakPolarHBondContact OG-CG 3.32Å; S9-E12 PolarHBondContact OG-N 3.49Å; S9-E12 PolarHBondContact OG-OE2 2.75Å; E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 2.85Å; E12-R14 VanDerWaalsContact C-N 3.31Å; E12-R14 PolarHBondContact O-N 2.97Å; E12-R15 PolarHBondContact O-N 3.39Å; E12-R15 IonicContact OE1-NH2 3.48Å; E12-L16 WeakPolarHBondContact O-CB 3.44Å; E12-L16 PolarHBondContact O-N 2.92Å |
| 13 | L | 85.8 | Confident | 77 | Confident | 76 Ų | 76 | 117.7 Ų | 117.7 | 40% | 0.398 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -40.9 | 174.1 | -74.7 | 167 | 0 | 0 | 0 | 111.8 | F8 S9 E10 L16 K17 | F8-L13 HydrophobicContact CB-CG 4.43Å; S9-L13 PolarHBondContact O-N 3.46Å; S9-L13 VanDerWaalsContact O-N 3.09Å; E10-L13 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.02Å; L13-K17 WeakPolarHBondContact O-CB 3.46Å; L13-K17 PolarHBondContact O-N 2.78Å |
| 14 | R | 84.8 | Confident | 77 | Confident | 141 Ų | 141 | 115.8 Ų | 115.8 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -42.6 | 174.4 | -72.9 | -170.7 | -69.4 | 163.8 | -5.7 | 111.7 | E10 E11 E12 K17 Q18 | E10-R14 WeakPolarHBondContact O-CG 3.26Å; E10-R14 PolarHBondContact O-N 3Å; E11-R14 PolarHBondContact O-N 2.83Å; E11-R14 IonicContact OE1-CZ 2.76Å; E11-R14 IonicContact OE1-NH2 3.98Å; E11-R14 PolarHBondContact OE1-NH2 3.38Å; E12-R14 VanDerWaalsContact C-N 3.31Å; E12-R14 PolarHBondContact O-N 2.97Å; R14-K17 PolarHBondContact O-N 3.48Å; R14-Q18 WeakPolarHBondContact O-CB 3.14Å; R14-Q18 VanDerWaalsContact O-CG 3.29Å; R14-Q18 WeakPolarHBondContact O-CG 3.49Å; R14-Q18 PolarHBondContact O-N 2.77Å; R14-Q18 VanDerWaalsContact O-N 3.08Å |
| 15 | R | 86.5 | Confident | 76.5 | Confident | 135 Ų | 135 | 114.5 Ų | 114.5 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -43.5 | 175.5 | -71.8 | -170.6 | -59.8 | -88.8 | 19.7 | 112.2 | E11 E12 K17 Q18 N19 | E11-R15 VanDerWaalsContact C-NH1 3.28Å; E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 3.04Å; E11-R15 VanDerWaalsContact O-N 3.08Å; E11-R15 PolarHBondContact O-NH1 3.12Å; E11-R15 VanDerWaalsContact O-NH1 3.13Å; E12-R15 PolarHBondContact O-N 3.39Å; E12-R15 IonicContact OE1-NH2 3.48Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3Å; R15-Q18 PolarHBondContact O-N 2.76Å; R15-N19 WeakPolarHBondContact O-CB 3.39Å; R15-N19 PolarHBondContact O-N 3.12Å |
| 16 | L | 81.2 | Confident | 76.5 | Confident | 102 Ų | 102 | 113.1 Ų | 113.1 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -37.1 | 178 | -176.4 | 64.1 | 0 | 0 | 0 | 112.1 | E12 L13 N19 | E12-L16 WeakPolarHBondContact O-CB 3.44Å; E12-L16 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.02Å; L16-N19 CarbonylContact O-C 3.56Å |
| 17 | K | 77.1 | Confident | 75.9 | Confident | 171 Ų | 171 | 119.1 Ų | 119.1 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.7 | -32.5 | 177.2 | -177.5 | 172.7 | 164.5 | -175 | 0 | 112.9 | L13 R14 R15 | L13-K17 WeakPolarHBondContact O-CB 3.46Å; L13-K17 PolarHBondContact O-N 2.78Å; R14-K17 PolarHBondContact O-N 3.48Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3Å |
| 18 | Q | 78.9 | Confident | 74.9 | Confident | 160 Ų | 160 | 125.9 Ų | 125.9 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76 | -39.7 | 176.1 | -75.7 | -177.1 | -29 | 0 | 0 | 112.1 | R14 R15 K20 | R14-Q18 WeakPolarHBondContact O-CB 3.14Å; R14-Q18 VanDerWaalsContact O-CG 3.29Å; R14-Q18 WeakPolarHBondContact O-CG 3.49Å; R14-Q18 PolarHBondContact O-N 2.77Å; R14-Q18 VanDerWaalsContact O-N 3.08Å; R15-Q18 PolarHBondContact O-N 2.76Å; Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.45Å |
| 19 | N | 72.2 | Confident | 74 | Confident | 112 Ų | 112 | 128.2 Ų | 128.2 | 60% | 0.599 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -74.1 | 89.6 | 169.6 | -159.9 | -93.7 | 0 | 0 | 0 | 107.3 | R15 L16 D21 | R15-N19 WeakPolarHBondContact O-CB 3.39Å; R15-N19 PolarHBondContact O-N 3.12Å; L16-N19 CarbonylContact O-C 3.56Å; N19-D21 VanDerWaalsContact C-N 3.29Å; N19-D21 PolarHBondContact O-N 3.05Å |
| 20 | K | 68.7 | Low | 72.9 | Confident | 156 Ų | 156 | 131.2 Ų | 131.2 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | trans | -51.8 | 101.6 | 170.9 | -75.9 | -99.4 | 154.7 | -78.1 | 0 | 106.9 | Q18 P22 | Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.45Å; K20-P22 WeakPolarHBondContact O-CD 3.41Å; K20-P22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | D | 65.6 | Low | 72 | Confident | 68 Ų | 68 | 131.4 Ų | 131.4 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | trans | -50.3 | 123 | 177.2 | 179.9 | -3.7 | 0 | 0 | 0 | 106.7 | N19 F23 E24 | N19-D21 VanDerWaalsContact C-N 3.29Å; N19-D21 PolarHBondContact O-N 3.05Å; D21-F23 PolarHBondContact O-N 2.94Å; D21-F23 WeakPolarHBondContact OD1-CB 3.43Å; D21-F23 VanDerWaalsContact OD1-CD2 3.29Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.33Å; D21-F23 PolarHBondContact OD1-N 3.17Å; D21-E24 HydrophobicContact CB-CB 4.01Å; D21-E24 HydrophobicContact CB-CG 4.3Å; D21-E24 WeakPolarHBondContact O-CB 3.45Å; D21-E24 PolarHBondContact O-N 2.79Å | ||
| 22 | P | 65.4 | Low | 71.4 | Confident | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -22.8 | 173.7 | -24.9 | 33.7 | 0 | 0 | 0 | 112.4 | K20 | K20-P22 WeakPolarHBondContact O-CD 3.41Å; K20-P22 VanDerWaalsContact O-N 3.12Å |
| 23 | F | 59.7 | Low | 71.2 | Confident | 178 Ų | 178 | 138.3 Ų | 138.3 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -11.2 | 175.8 | -59.8 | -79.7 | 0 | 0 | 0 | 114.6 | D21 P25 | D21-F23 PolarHBondContact O-N 2.94Å; D21-F23 WeakPolarHBondContact OD1-CB 3.43Å; D21-F23 VanDerWaalsContact OD1-CD2 3.29Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.33Å; D21-F23 PolarHBondContact OD1-N 3.17Å; F23-P25 WeakPolarHBondContact O-CD 3.29Å; F23-P25 VanDerWaalsContact O-N 3.11Å |
| 24 | E | 63.9 | Low | 71.2 | Confident | 114 Ų | 114 | 138.9 Ų | 138.9 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -59.8 | 119.9 | 167.3 | -116.6 | -78 | 129.1 | 0 | 0 | 105.8 | D21 Q26 | D21-E24 HydrophobicContact CB-CB 4.01Å; D21-E24 HydrophobicContact CB-CG 4.3Å; D21-E24 WeakPolarHBondContact O-CB 3.45Å; D21-E24 PolarHBondContact O-N 2.79Å; E24-Q26 PolarHBondContact O-N 2.69Å |
| 25 | P | 62.8 | Low | 71.4 | Confident | 88 Ų | 88 | 141 Ų | 141 | 57% | 0.571 | 67% | 0.666 | S | S | * | * | trans | -63.8 | 89.3 | -179.6 | -17.1 | 29.9 | 0 | 0 | 0 | 107.5 | F23 R27 | F23-P25 WeakPolarHBondContact O-CD 3.29Å; F23-P25 VanDerWaalsContact O-N 3.11Å; P25-R27 VanDerWaalsContact C-N 3.35Å; P25-R27 WeakPolarHBondContact O-CA 3.39Å; P25-R27 PolarHBondContact O-N 3.38Å | ||
| 26 | Q | 64.7 | Low | 71.8 | Confident | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -43.4 | 103 | 177.1 | 168.8 | 168.8 | -130.8 | 0 | 0 | 105.9 | E24 R28 | E24-Q26 PolarHBondContact O-N 2.69Å; Q26-R28 VanDerWaalsContact C-N 3.28Å; Q26-R28 WeakPolarHBondContact O-CA 3.22Å; Q26-R28 VanDerWaalsContact O-CG 3.3Å; Q26-R28 WeakPolarHBondContact O-CG 3.32Å; Q26-R28 PolarHBondContact O-N 2.87Å | ||
| 27 | R | 64.4 | Low | 72.2 | Confident | 231 Ų | 231 | 140.4 Ų | 140.4 | 87% | 0.872 | 67% | 0.666 | S | S | * | * | trans | -40 | 96.9 | -165.6 | -76.9 | -172.2 | -84.1 | 123.6 | -7.1 | 108.1 | P25 I29 | P25-R27 VanDerWaalsContact C-N 3.35Å; P25-R27 WeakPolarHBondContact O-CA 3.39Å; P25-R27 PolarHBondContact O-N 3.38Å; R27-I29 PolarHBondContact O-N 2.93Å | ||
| 28 | R | 62.2 | Low | 72.8 | Confident | 212 Ų | 212 | 137 Ų | 137 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | trans | -65.6 | 110.1 | -154.9 | -73.3 | -173.6 | 179.6 | 153.7 | 0.3 | 106.9 | Q26 P30 | Q26-R28 VanDerWaalsContact C-N 3.28Å; Q26-R28 WeakPolarHBondContact O-CA 3.22Å; Q26-R28 VanDerWaalsContact O-CG 3.3Å; Q26-R28 WeakPolarHBondContact O-CG 3.32Å; Q26-R28 PolarHBondContact O-N 2.87Å; R28-P30 WeakPolarHBondContact O-CD 3.29Å; R28-P30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | I | 64 | Low | 73.5 | Confident | 148 Ų | 148 | 134.4 Ų | 134.4 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | trans | -52 | 123.6 | 167.2 | -60.5 | 173.6 | 0 | 0 | 0 | 105.1 | R27 V31 | R27-I29 PolarHBondContact O-N 2.93Å; I29-V31 VanDerWaalsContact C-N 3.32Å; I29-V31 PolarHBondContact O-N 3.12Å | ||
| 30 | P | 64.1 | Low | 74.5 | Confident | 97 Ų | 97 | 138.1 Ų | 138.1 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | trans | -61.7 | 93.3 | -174 | -25.2 | 34.7 | 0 | 0 | 0 | 111.2 | R28 K32 | R28-P30 WeakPolarHBondContact O-CD 3.29Å; R28-P30 VanDerWaalsContact O-N 3.15Å; P30-K32 PolarHBondContact O-N 2.75Å; P30-K32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | V | 66.8 | Low | 75.5 | Confident | 123 Ų | 123 | 133.5 Ų | 133.5 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -70.7 | 105.6 | 165.5 | -87.2 | 0 | 0 | 0 | 0 | 106.8 | I29 K33 | I29-V31 VanDerWaalsContact C-N 3.32Å; I29-V31 PolarHBondContact O-N 3.12Å; V31-K33 PolarHBondContact O-N 3.25Å | ||
| 32 | K | 74.4 | Confident | 76.7 | Confident | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 64% | 0.642 | S | S | * | * | trans | 15.6 | 75.9 | 166.5 | -44.3 | -173.1 | -168.8 | -175.5 | 0 | 113.2 | P30 | P30-K32 PolarHBondContact O-N 2.75Å; P30-K32 VanDerWaalsContact O-N 3.13Å | ||
| 33 | K | 81.7 | Confident | 77.9 | Confident | 96 Ų | 96 | 134.2 Ų | 134.2 | 42% | 0.417 | 63% | 0.628 | S | S | . | * | trans | -69.3 | 135.9 | -177.6 | -58.4 | -166.4 | -177.2 | -178.8 | 0 | 109.5 | V31 Q37 E41 | V31-K33 PolarHBondContact O-N 3.25Å; K33-Q37 HydrophobicContact CB-CB 4.28Å; K33-Q37 HydrophobicContact CB-CG 4.17Å; K33-Q37 HydrophobicContact CD-CG 4.02Å; K33-Q37 HydrophobicContact CG-CG 4.41Å; K33-E41 WeakPolarHBondContact CD-OE1 3.38Å; K33-E41 WeakPolarHBondContact CD-OE2 3.39Å; K33-E41 WeakPolarHBondContact CE-OE1 3.31Å; K33-E41 IonicContact NZ-OE1 2.64Å; K33-E41 PolarHBondContact NZ-OE1 3.19Å; K33-E41 IonicContact NZ-OE2 2.71Å; K33-E41 PolarHBondContact NZ-OE2 2.83Å | ||
| 34 | T | 86.9 | Confident | 79.4 | Confident | 88 Ų | 88 | 131.8 Ų | 131.8 | 54% | 0.54 | 62% | 0.623 | S | S | . | * | trans | -63 | 153.2 | 171.1 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | Q36 Q37 L38 | T34-Q36 HydrophobicContact CG2-CB 4.34Å; T34-Q36 PolarHBondContact O-N 2.92Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; T34-Q37 HydrophobicContact CG2-CB 3.71Å; T34-Q37 WeakPolarHBondContact O-CB 3.45Å; T34-Q37 PolarHBondContact O-N 2.83Å; T34-L38 PolarHBondContact O-N 3.49Å; T34-L38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | R | 88.9 | Confident | 80.5 | Confident | 187 Ų | 187 | 131.1 Ų | 131.1 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.4 | -35.9 | 177.7 | -173.6 | 176.3 | -177.8 | -84.4 | 3.3 | 112.4 | L38 Q39 | R35-L38 PolarHBondContact O-N 3.08Å; R35-Q39 WeakPolarHBondContact O-CG 3.23Å; R35-Q39 PolarHBondContact O-N 3.48Å; R35-Q39 VanDerWaalsContact O-N 3.13Å |
| 36 | Q | 93.4 | Very high | 81.8 | Confident | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.9 | -40 | 177.2 | -172.9 | -175.1 | 58.1 | 0 | 0 | 112.2 | T34 L38 Q39 R40 | T34-Q36 HydrophobicContact CG2-CB 4.34Å; T34-Q36 PolarHBondContact O-N 2.92Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; Q36-L38 VanDerWaalsContact C-N 3.33Å; Q36-L38 PolarHBondContact O-N 3.13Å; Q36-Q39 PolarHBondContact O-N 3.09Å; Q36-R40 PolarHBondContact O-N 3.39Å |
| 37 | Q | 90.9 | Very high | 83.1 | Confident | 77 Ų | 77 | 129.5 Ų | 129.5 | 36% | 0.36 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -39.1 | 178.2 | -179.1 | 64.2 | 20.3 | 0 | 0 | 110.6 | K33 T34 Q39 R40 E41 | K33-Q37 HydrophobicContact CB-CB 4.28Å; K33-Q37 HydrophobicContact CB-CG 4.17Å; K33-Q37 HydrophobicContact CD-CG 4.02Å; K33-Q37 HydrophobicContact CG-CG 4.41Å; T34-Q37 HydrophobicContact CG2-CB 3.71Å; T34-Q37 WeakPolarHBondContact O-CB 3.45Å; T34-Q37 PolarHBondContact O-N 2.83Å; Q37-Q39 PolarHBondContact O-N 3.17Å; Q37-R40 PolarHBondContact O-N 3.43Å; Q37-E41 PolarHBondContact NE2-OE1 2.87Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.01Å |
| 38 | L | 89.8 | Confident | 84 | Confident | 98 Ų | 98 | 119.8 Ų | 119.8 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 174.8 | -176.3 | 62.4 | 0 | 0 | 0 | 111.9 | T34 R35 Q36 R40 E41 K42 | T34-L38 PolarHBondContact O-N 3.49Å; T34-L38 VanDerWaalsContact O-N 3.13Å; R35-L38 PolarHBondContact O-N 3.08Å; Q36-L38 VanDerWaalsContact C-N 3.33Å; Q36-L38 PolarHBondContact O-N 3.13Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.3Å; L38-E41 PolarHBondContact O-N 2.84Å; L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.97Å |
| 39 | Q | 92.3 | Very high | 85 | Confident | 107 Ų | 107 | 115.9 Ų | 115.9 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 175.5 | -71.9 | 177.6 | -50.1 | 0 | 0 | 111.8 | R35 Q36 Q37 K42 A43 | R35-Q39 WeakPolarHBondContact O-CG 3.23Å; R35-Q39 PolarHBondContact O-N 3.48Å; R35-Q39 VanDerWaalsContact O-N 3.13Å; Q36-Q39 PolarHBondContact O-N 3.09Å; Q37-Q39 PolarHBondContact O-N 3.17Å; Q39-K42 PolarHBondContact O-N 3.45Å; Q39-A43 PolarHBondContact O-N 3.47Å |
| 40 | R | 94.4 | Very high | 86 | Confident | 189 Ų | 189 | 117 Ų | 117 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -43.6 | 175.7 | -174 | -179.8 | -178.6 | 122.5 | 2 | 111.8 | Q36 Q37 L38 A43 L44 | Q36-R40 PolarHBondContact O-N 3.39Å; Q37-R40 PolarHBondContact O-N 3.43Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.3Å; R40-A43 PolarHBondContact O-N 2.72Å; R40-L44 PolarHBondContact O-N 3.04Å |
| 41 | E | 89.7 | Confident | 86.9 | Confident | 59 Ų | 59 | 118.3 Ų | 118.3 | 28% | 0.276 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -39.8 | 178.5 | -75.1 | 175.4 | -168 | 0 | 0 | 112.1 | K33 Q37 L38 L44 L45 | K33-E41 WeakPolarHBondContact CD-OE1 3.38Å; K33-E41 WeakPolarHBondContact CD-OE2 3.39Å; K33-E41 WeakPolarHBondContact CE-OE1 3.31Å; K33-E41 IonicContact NZ-OE1 2.64Å; K33-E41 PolarHBondContact NZ-OE1 3.19Å; K33-E41 IonicContact NZ-OE2 2.71Å; K33-E41 PolarHBondContact NZ-OE2 2.83Å; Q37-E41 PolarHBondContact NE2-OE1 2.87Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.01Å; L38-E41 PolarHBondContact O-N 2.84Å; E41-L44 PolarHBondContact O-N 2.75Å; E41-L45 WeakPolarHBondContact O-CB 3.27Å; E41-L45 PolarHBondContact O-N 3.21Å |
| 42 | K | 90.8 | Very high | 87.1 | Confident | 144 Ų | 144 | 115 Ų | 115 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 173.2 | -72.3 | -151.8 | 80.1 | -174.7 | 0 | 112.2 | L38 Q39 L44 L45 E46 | L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.97Å; Q39-K42 PolarHBondContact O-N 3.45Å; K42-L44 VanDerWaalsContact C-N 3.33Å; K42-L44 PolarHBondContact O-N 3.29Å; K42-L45 PolarHBondContact O-N 2.81Å; K42-E46 WeakPolarHBondContact O-CB 3.34Å; K42-E46 PolarHBondContact O-N 2.96Å |
| 43 | A | 90.5 | Very high | 86.6 | Confident | 54 Ų | 54 | 110.5 Ų | 110.5 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q39 R40 E46 Q47 | Q39-A43 PolarHBondContact O-N 3.47Å; R40-A43 PolarHBondContact O-N 2.72Å; A43-E46 PolarHBondContact O-N 3.44Å; A43-Q47 WeakPolarHBondContact O-CG 3.5Å; A43-Q47 PolarHBondContact O-N 3.39Å |
| 44 | L | 90.1 | Very high | 86 | Confident | 128 Ų | 128 | 112.1 Ų | 112.1 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -44.8 | 177.1 | -173.6 | 67.7 | 0 | 0 | 0 | 111.7 | R40 E41 K42 E46 Q47 S48 | R40-L44 PolarHBondContact O-N 3.04Å; E41-L44 PolarHBondContact O-N 2.75Å; K42-L44 VanDerWaalsContact C-N 3.33Å; K42-L44 PolarHBondContact O-N 3.29Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.32Å; L44-Q47 PolarHBondContact O-N 3.48Å; L44-S48 PolarHBondContact O-N 2.76Å |
| 45 | L | 87.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -38.5 | 177.7 | -166.4 | 80.4 | 0 | 0 | 0 | 112 | E41 K42 Q47 S48 Q49 | E41-L45 WeakPolarHBondContact O-CB 3.27Å; E41-L45 PolarHBondContact O-N 3.21Å; K42-L45 PolarHBondContact O-N 2.81Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-S48 WeakPolarHBondContact CA-OG 3.39Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 PolarHBondContact O-OG 3.08Å; L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 PolarHBondContact O-N 3.44Å |
| 46 | E | 89.4 | Confident | 83.7 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -39 | 176.2 | -171.3 | -179.2 | 147.3 | 0 | 0 | 111.3 | K42 A43 L44 K50 | K42-E46 WeakPolarHBondContact O-CB 3.34Å; K42-E46 PolarHBondContact O-N 2.96Å; A43-E46 PolarHBondContact O-N 3.44Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.32Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 2.93Å |
| 47 | Q | 91.9 | Very high | 81.9 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.3 | -43.6 | 174.6 | -69.3 | -58.5 | -70.1 | 0 | 0 | 112.2 | A43 L44 L45 K50 L51 | A43-Q47 WeakPolarHBondContact O-CG 3.5Å; A43-Q47 PolarHBondContact O-N 3.39Å; L44-Q47 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-K50 PolarHBondContact O-N 3.21Å; Q47-L51 WeakPolarHBondContact O-CB 3.05Å; Q47-L51 VanDerWaalsContact O-CG 3.27Å; Q47-L51 WeakPolarHBondContact O-CG 3.4Å; Q47-L51 PolarHBondContact O-N 3.31Å |
| 48 | S | 84.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 107.6 Ų | 107.6 | 20% | 0.196 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | L44 L45 L51 G52 L53 | L44-S48 PolarHBondContact O-N 2.76Å; L45-S48 WeakPolarHBondContact CA-OG 3.39Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 PolarHBondContact O-OG 3.08Å; S48-L51 CarbonylContact O-C 3.49Å; S48-L51 PolarHBondContact O-N 2.91Å; S48-G52 PolarHBondContact O-N 2.91Å; S48-G52 VanDerWaalsContact O-N 3.15Å; S48-L53 PolarHBondContact O-N 2.71Å |
| 49 | Q | 83.3 | Confident | 78.9 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.9 | -45.1 | 174.2 | -178.9 | 179.8 | 78.9 | 0 | 0 | 111.5 | L45 L51 G52 | L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 PolarHBondContact O-N 3.44Å; Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; Q49-G52 PolarHBondContact O-N 3.38Å |
| 50 | K | 84.6 | Confident | 77.3 | Confident | 170 Ų | 170 | 107.6 Ų | 107.6 | 74% | 0.739 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62 | -35.7 | 176.6 | -175.2 | -180 | 179.6 | -174.8 | 0 | 112.1 | E46 Q47 G52 | E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 2.93Å; Q47-K50 PolarHBondContact O-N 3.21Å; K50-G52 PolarHBondContact O-N 3.38Å |
| 51 | L | 82.3 | Confident | 75.9 | Confident | 126 Ų | 126 | 104 Ų | 104 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 1 | 176.1 | -70.9 | 167.1 | 0 | 0 | 0 | 113.2 | Q47 S48 Q49 L53 | Q47-L51 WeakPolarHBondContact O-CB 3.05Å; Q47-L51 VanDerWaalsContact O-CG 3.27Å; Q47-L51 WeakPolarHBondContact O-CG 3.4Å; Q47-L51 PolarHBondContact O-N 3.31Å; S48-L51 CarbonylContact O-C 3.49Å; S48-L51 PolarHBondContact O-N 2.91Å; Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; L51-L53 HydrophobicContact CB-CD1 3.84Å; L51-L53 HydrophobicContact CD1-CD1 4.37Å; L51-L53 PolarHBondContact O-N 3.06Å |
| 52 | G | 71.9 | Confident | 74.5 | Confident | 54 Ų | 54 | 106.2 Ų | 106.2 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.2 | 13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | S48 Q49 K50 Q54 | S48-G52 PolarHBondContact O-N 2.91Å; S48-G52 VanDerWaalsContact O-N 3.15Å; Q49-G52 PolarHBondContact O-N 3.38Å; K50-G52 PolarHBondContact O-N 3.38Å; G52-Q54 PolarHBondContact O-N 3.15Å |
| 53 | L | 64.8 | Low | 73.1 | Confident | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | trans | -77 | 74 | 172.6 | -76.3 | 143.8 | 0 | 0 | 0 | 108 | S48 L51 D55 | S48-L53 PolarHBondContact O-N 2.71Å; L51-L53 HydrophobicContact CB-CD1 3.84Å; L51-L53 HydrophobicContact CD1-CD1 4.37Å; L51-L53 PolarHBondContact O-N 3.06Å; L53-D55 PolarHBondContact O-N 2.61Å | ||
| 54 | Q | 68.6 | Low | 72 | Confident | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | trans | -71.5 | 119.3 | 177.2 | -66.9 | -73.3 | 39.8 | 0 | 0 | 109.3 | G52 G56 | G52-Q54 PolarHBondContact O-N 3.15Å; Q54-G56 PolarHBondContact O-N 2.89Å | ||
| 55 | D | 64.1 | Low | 70.8 | Confident | 136 Ų | 136 | 110.1 Ų | 110.1 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 108.4 | 179.7 | -68.4 | -46.8 | 0 | 0 | 0 | 110.8 | L53 | L53-D55 PolarHBondContact O-N 2.61Š|
| 56 | G | 63.9 | Low | 70 | Confident | 77 Ų | 77 | 113.1 Ų | 113.1 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.7 | 7.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q54 | Q54-G56 PolarHBondContact O-N 2.89Š|
| 57 | S | 55.2 | Low | 69 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | trans | -135.9 | 94.8 | 160.3 | -68.1 | 0 | 0 | 0 | 0 | 108.2 | S59 | S57-S59 PolarHBondContact O-N 3.03Š| ||
| 58 | A | 58.3 | Low | 67.8 | Low | 94 Ų | 94 | 112 Ų | 112 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | trans | -61.6 | 74.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | L60 | A58-L60 PolarHBondContact O-N 2.76Š| ||
| 59 | S | 59.5 | Low | 66.7 | Low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -67 | 87.8 | 153.7 | -160.3 | 0 | 0 | 0 | 0 | 103 | S57 L61 | S57-S59 PolarHBondContact O-N 3.03Å; S59-L61 PolarHBondContact O-N 2.96Å | ||
| 60 | L | 59.1 | Low | 65.9 | Low | 97 Ų | 97 | 119.9 Ų | 119.9 | 51% | 0.508 | 70% | 0.7 | S | S | . | * | trans | -45.2 | 129.2 | 173.4 | -72.3 | 170.4 | 0 | 0 | 0 | 106.2 | A58 Q64 | A58-L60 PolarHBondContact O-N 2.76Å; L60-Q64 HydrophobicContact CB-CB 4.46Å | ||
| 61 | L | 65.3 | Low | 64.7 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 59% | 0.586 | 71% | 0.706 | S | S | * | * | trans | -49.3 | 137.6 | 178.9 | -75.9 | 161.6 | 0 | 0 | 0 | 107.2 | S59 E63 Q64 | S59-L61 PolarHBondContact O-N 2.96Å; L61-E63 PolarHBondContact O-N 2.75Å; L61-Q64 HydrophobicContact CB-CG 4.2Å; L61-Q64 WeakPolarHBondContact O-CA 3.41Å; L61-Q64 WeakPolarHBondContact O-CB 3.42Å; L61-Q64 PolarHBondContact O-N 3.34Å | ||
| 62 | P | 60.1 | Low | 63.4 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -52.5 | -26.2 | 179.4 | -26.2 | 33.1 | 0 | 0 | 0 | 112.5 | Q64 L65 | P62-Q64 VanDerWaalsContact C-N 3.32Å; P62-Q64 PolarHBondContact O-N 2.98Å; P62-L65 WeakPolarHBondContact O-CB 3.33Å; P62-L65 PolarHBondContact O-N 3.48Å |
| 63 | E | 60.3 | Low | 62.7 | Low | 180 Ų | 180 | 127.3 Ų | 127.3 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -68.6 | -23.6 | 174.9 | -152.6 | -179.7 | 164.7 | 0 | 0 | 114.2 | L61 L65 | L61-E63 PolarHBondContact O-N 2.75Å; E63-L65 VanDerWaalsContact C-N 3.34Å |
| 64 | Q | 67.8 | Low | 62 | Low | 113 Ų | 113 | 128 Ų | 128 | 53% | 0.528 | 73% | 0.729 | S | S | . | * | G | 310 helix | trans | -85.5 | -6.1 | 174.2 | -62.9 | -178.2 | -73.5 | 0 | 0 | 113 | L60 L61 P62 L66 | L60-Q64 HydrophobicContact CB-CB 4.46Å; L61-Q64 HydrophobicContact CB-CG 4.2Å; L61-Q64 WeakPolarHBondContact O-CA 3.41Å; L61-Q64 WeakPolarHBondContact O-CB 3.42Å; L61-Q64 PolarHBondContact O-N 3.34Å; P62-Q64 VanDerWaalsContact C-N 3.32Å; P62-Q64 PolarHBondContact O-N 2.98Å; Q64-L66 PolarHBondContact O-N 3.01Å |
| 65 | L | 65.6 | Low | 61.5 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 60% | 0.602 | 74% | 0.74 | S | S | * | * | trans | -78.2 | 75.1 | 170.4 | -59.1 | 175.9 | 0 | 0 | 0 | 108.6 | P62 E63 S67 | P62-L65 WeakPolarHBondContact O-CB 3.33Å; P62-L65 PolarHBondContact O-N 3.48Å; E63-L65 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.28Å | ||
| 66 | L | 70.3 | Confident | 61 | Low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 118.1 | 168.7 | -65.6 | 173.9 | 0 | 0 | 0 | 107.8 | Q64 A68 | Q64-L66 PolarHBondContact O-N 3.01Å; L66-A68 PolarHBondContact O-N 3.37Å; L66-A68 VanDerWaalsContact O-N 3.17Å |
| 67 | S | 68.4 | Low | 60.6 | Low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 126 | 178.7 | -81.7 | 0 | 0 | 0 | 0 | 109.1 | L65 | L65-S67 PolarHBondContact O-N 3.28Š|
| 68 | A | 67.5 | Low | 60.3 | Low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L66 K70 | L66-A68 PolarHBondContact O-N 3.37Å; L66-A68 VanDerWaalsContact O-N 3.17Å; A68-K70 PolarHBondContact O-N 3.5Å |
| 69 | P | 60.4 | Low | 60 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.9 | 179 | 20.8 | -30.2 | 0 | 0 | 0 | 107.9 | Q71 | P69-Q71 VanDerWaalsContact C-N 3.29Å; P69-Q71 PolarHBondContact O-N 2.96Å |
| 70 | K | 66.4 | Low | 59.7 | Low | 205 Ų | 205 | 142.4 Ų | 142.4 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -62.9 | 94.7 | -179.5 | -138.3 | 156.6 | -174.3 | 169.1 | 0 | 106.5 | A68 R72 | A68-K70 PolarHBondContact O-N 3.5Å; K70-R72 PolarHBondContact O-N 2.92Å | ||
| 71 | Q | 58.5 | Low | 59.4 | Low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -61.5 | 93.4 | 173.2 | -82.5 | -157.8 | -53.6 | 0 | 0 | 107.2 | P69 A73 | P69-Q71 VanDerWaalsContact C-N 3.29Å; P69-Q71 PolarHBondContact O-N 2.96Å; Q71-A73 PolarHBondContact O-N 3.36Å | ||
| 72 | R | 55.5 | Low | 58.6 | Low | 227 Ų | 227 | 143.2 Ų | 143.2 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 91.7 | 153.5 | -71.4 | -95.4 | -161 | 157.2 | 5.4 | 104.1 | K70 N74 | K70-R72 PolarHBondContact O-N 2.92Å; R72-N74 PolarHBondContact O-N 2.93Å; R72-N74 PolarHBondContact O-OD1 3.02Å | ||
| 73 | A | 57.2 | Low | 57.9 | Low | 92 Ų | 92 | 143.1 Ų | 143.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -64.6 | 78.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q71 S75 | Q71-A73 PolarHBondContact O-N 3.36Å; A73-S75 PolarHBondContact O-N 3.02Å; A73-S75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | N | 50.6 | Low | 57.3 | Low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 99.8 | 152.4 | 52.4 | 5 | 0 | 0 | 0 | 105.1 | R72 Q76 | R72-N74 PolarHBondContact O-N 2.93Å; R72-N74 PolarHBondContact O-OD1 3.02Å; N74-Q76 VanDerWaalsContact C-N 3.29Å; N74-Q76 PolarHBondContact O-N 2.67Å | ||
| 75 | S | 56.8 | Low | 56.1 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -37.4 | 89.2 | 163 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | A73 | A73-S75 PolarHBondContact O-N 3.02Å; A73-S75 VanDerWaalsContact O-N 3.12Å | ||
| 76 | Q | 53.8 | Low | 55 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -126 | 96.4 | 158.5 | -69 | -148.9 | -24.9 | 0 | 0 | 108.2 | N74 | N74-Q76 VanDerWaalsContact C-N 3.29Å; N74-Q76 PolarHBondContact O-N 2.67Å | ||
| 77 | K | 56.5 | Low | 53.4 | Low | 188 Ų | 188 | 138 Ų | 138 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -41.1 | 131.1 | 165.8 | -169.5 | 147.3 | -175 | 168.2 | 0 | 109.7 | R79 | K77-R79 PolarHBondContact O-N 2.9Š| ||
| 78 | P | 48.3 | Very low | 52.3 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 94.4 | 165.6 | -4.5 | 20.4 | 0 | 0 | 0 | 106.2 | S80 | P78-S80 PolarHBondContact O-N 3.49Å; P78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | R | 51.5 | Low | 51.1 | Low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 103.6 | 163.2 | -174 | 169.5 | -171 | 144.1 | 0.3 | 105 | K77 P81 | K77-R79 PolarHBondContact O-N 2.9Å; R79-P81 VanDerWaalsContact O-CD 3.26Å; R79-P81 WeakPolarHBondContact O-CD 3.43Å | ||
| 80 | S | 53.9 | Low | 50 | Low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -50 | 130.1 | 164.6 | 38.7 | 0 | 0 | 0 | 0 | 109.8 | P78 | P78-S80 PolarHBondContact O-N 3.49Å; P78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 81 | P | 52.3 | Low | 49.2 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -110.1 | 109.7 | 151.2 | 27.6 | -10 | 0 | 0 | 0 | 107.3 | R79 P83 | R79-P81 VanDerWaalsContact O-CD 3.26Å; R79-P81 WeakPolarHBondContact O-CD 3.43Å; P81-P83 VanDerWaalsContact O-CD 3.32Å; P81-P83 WeakPolarHBondContact O-CD 3.42Å | ||
| 82 | S | 49.5 | Very low | 48 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 126.2 | 148.2 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 83 | P | 45.4 | Very low | 47.5 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -136.8 | 126.7 | 130.9 | 29.2 | -12.3 | 0 | 0 | 0 | 111.6 | P81 | P81-P83 VanDerWaalsContact O-CD 3.32Å; P81-P83 WeakPolarHBondContact O-CD 3.42Å | ||
| 84 | V | 46.4 | Very low | 46.5 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 29.9 | 117.1 | 131.6 | 180 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 85 | A | 43.7 | Very low | 45.7 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -49.3 | 152.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 86 | P | 42.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 134.5 | 132.9 | 32.5 | -18.9 | 0 | 0 | 0 | 111.6 | ||||
| 87 | S | 35.6 | Very low | 44 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -113.4 | 165.4 | 156.5 | -87.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 88 | P | 45.6 | Very low | 43.2 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -130.6 | 163.8 | -19.9 | 27.8 | -6.1 | 0 | 0 | 0 | 114.1 | ||||
| 89 | L | 42.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 45.9 | 112.8 | 141.5 | -56.4 | 169.2 | 0 | 0 | 0 | 121.2 | ||||
| 90 | T | 36.8 | Very low | 43.3 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -141.6 | 131.2 | 138.9 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 91 | P | 49.1 | Very low | 43.3 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -96.8 | 121.6 | 169.5 | 33.4 | -24.2 | 0 | 0 | 0 | 109.2 | ||||
| 92 | T | 34.2 | Very low | 42.6 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 122.2 | 163.3 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 93 | S | 45.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 147.1 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 94 | S | 37 | Very low | 42.4 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 173.5 | 110.8 | 145.2 | -162.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 95 | S | 33 | Very low | 42.7 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | 102.4 | 127.7 | 79.5 | -175.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 96 | G | 32.4 | Very low | 42.9 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 146.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 97 | D | 42.8 | Very low | 43.5 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | cis | -168.2 | 123.3 | 7.3 | -150.4 | -71.8 | 0 | 0 | 0 | 103.4 | ||||
| 98 | G | 40.2 | Very low | 44 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | 66.3 | 79.5 | 99.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 99 | K | 41.4 | Very low | 44.4 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -167.1 | 96.5 | 149.8 | -153.8 | 116.5 | 156.9 | -164.7 | 0 | 113.3 | P101 | K99-P101 WeakPolarHBondContact O-CD 3.4Š| ||
| 100 | L | 60.6 | Low | 45.1 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -96.1 | 109.4 | 152.2 | -70.3 | 173.5 | 0 | 0 | 0 | 107.2 | ||||
| 101 | P | 52.6 | Low | 45.4 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -78.8 | 123.2 | 153.3 | 31.5 | -25.9 | 0 | 0 | 0 | 106.1 | K99 | K99-P101 WeakPolarHBondContact O-CD 3.4Š| ||
| 102 | G | 37.3 | Very low | 45.8 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 122.1 | 113.4 | 49.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 103 | V | 48.8 | Very low | 46.2 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 96% | 0.964 | 78% | 0.775 | S | S | * | * | trans | -49.5 | 141.9 | -178.9 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 104 | G | 42.5 | Very low | 46.4 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 148.3 | 79.6 | 164 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 105 | S | 52.5 | Low | 47.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | 169.4 | 107.1 | 110.3 | -157.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 106 | Q | 48.3 | Very low | 48.5 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.4 | 162.3 | -162.6 | -161.7 | 1.6 | 0 | 0 | 108.1 | Q108 | Q106-Q108 PolarHBondContact O-N 3.06Š|
| 107 | P | 54.6 | Low | 49.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 117.3 | 160 | 10.5 | -1 | 0 | 0 | 0 | 107.4 | E109 | P107-E109 PolarHBondContact O-N 3.27Š|
| 108 | Q | 46.4 | Very low | 50.1 | Low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 117.1 | 169.3 | -175 | 176.3 | -8.7 | 0 | 0 | 108.5 | Q106 P110 | Q106-Q108 PolarHBondContact O-N 3.06Å; Q108-P110 WeakPolarHBondContact O-CD 3.4Å |
| 109 | E | 54.3 | Low | 50.4 | Low | 134 Ų | 134 | 131.6 Ų | 131.6 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.6 | 172 | -154.3 | -96.1 | 155.7 | 0 | 0 | 107.6 | P107 G111 | P107-E109 PolarHBondContact O-N 3.27Å; E109-G111 VanDerWaalsContact C-N 3.3Å; E109-G111 PolarHBondContact O-N 3.49Å; E109-G111 WeakPolarHBondContact OE2-CA 3.36Å; E109-G111 PolarHBondContact OE2-N 2.92Å |
| 110 | P | 56.2 | Low | 51 | Low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -74 | 95.7 | 166.8 | 24.1 | -21.1 | 0 | 0 | 0 | 107.2 | Q108 L112 | Q108-P110 WeakPolarHBondContact O-CD 3.4Å; P110-L112 PolarHBondContact O-N 2.71Å | ||
| 111 | G | 43.2 | Very low | 50.5 | Low | 40 Ų | 40 | 127.6 Ų | 127.6 | 41% | 0.412 | 75% | 0.748 | S | S | . | * | trans | -45.3 | 131.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E109 E113 | E109-G111 VanDerWaalsContact C-N 3.3Å; E109-G111 PolarHBondContact O-N 3.49Å; E109-G111 WeakPolarHBondContact OE2-CA 3.36Å; E109-G111 PolarHBondContact OE2-N 2.92Å; G111-E113 PolarHBondContact O-N 3.28Å | ||
| 112 | L | 57.7 | Low | 50.3 | Low | 162 Ų | 162 | 126 Ų | 126 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | trans | -67.8 | 80.7 | 168.5 | -68.9 | 167.4 | 0 | 0 | 0 | 108.8 | P110 N114 | P110-L112 PolarHBondContact O-N 2.71Å; L112-N114 PolarHBondContact O-N 2.91Å | ||
| 113 | E | 44.4 | Very low | 51 | Low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -70.6 | 92.1 | 173.6 | -59.4 | -94.9 | 102.9 | 0 | 0 | 108.2 | G111 S115 | G111-E113 PolarHBondContact O-N 3.28Å; E113-S115 VanDerWaalsContact C-N 3.29Å; E113-S115 PolarHBondContact O-N 3.49Å | ||
| 114 | N | 48.5 | Very low | 51.1 | Low | 117 Ų | 117 | 128.2 Ų | 128.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | trans | -76.8 | 77 | 175 | 65.9 | -18.4 | 0 | 0 | 0 | 110.8 | L112 H116 | L112-N114 PolarHBondContact O-N 2.91Å; N114-H116 VanDerWaalsContact C-N 3.29Å; N114-H116 PolarHBondContact ND2-CD2 2.92Å; N114-H116 PolarHBondContact ND2-NE2 3.32Å; N114-H116 PolarHBondContact O-CD2 3.41Å; N114-H116 VanDerWaalsContact O-CD2 3.31Å; N114-H116 PolarHBondContact O-N 2.64Å | ||
| 115 | S | 54.8 | Low | 51.7 | Low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -70.1 | 89.2 | 168.3 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | E113 H117 | E113-S115 VanDerWaalsContact C-N 3.29Å; E113-S115 PolarHBondContact O-N 3.49Å; S115-H117 PolarHBondContact O-N 3.03Å | ||
| 116 | H | 59.9 | Low | 51.8 | Low | 164 Ų | 164 | 131.5 Ų | 131.5 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -73 | 75.8 | 172.2 | -70.3 | -76.1 | 0 | 0 | 0 | 110 | N114 | N114-H116 VanDerWaalsContact C-N 3.29Å; N114-H116 PolarHBondContact ND2-CD2 2.92Å; N114-H116 PolarHBondContact ND2-NE2 3.32Å; N114-H116 PolarHBondContact O-CD2 3.41Å; N114-H116 VanDerWaalsContact O-CD2 3.31Å; N114-H116 PolarHBondContact O-N 2.64Å | ||
| 117 | H | 51.5 | Low | 52 | Low | 171 Ų | 171 | 129.4 Ų | 129.4 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -93.8 | 117.3 | 165.5 | -167.8 | 66.3 | 0 | 0 | 0 | 109.6 | S115 H119 | S115-H117 PolarHBondContact O-N 3.03Å; H117-H119 PolarHBondContact O-N 2.95Å; H117-H119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | G | 56.1 | Low | 51.8 | Low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -54.9 | 112.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 119 | H | 47.8 | Very low | 52.1 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | -117.2 | 100.3 | 161.2 | -160.1 | -83.9 | 0 | 0 | 0 | 109.3 | H117 S121 | H117-H119 PolarHBondContact O-N 2.95Å; H117-H119 VanDerWaalsContact O-N 3.12Å; H119-S121 PolarHBondContact O-N 3.33Å | ||
| 120 | K | 53.3 | Low | 52.1 | Low | 158 Ų | 158 | 129 Ų | 129 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | -14.5 | 124.2 | 155.6 | 56.4 | -164.5 | 179.3 | -65.8 | 0 | 113.5 | A122 | K120-A122 PolarHBondContact O-N 3.01Š| ||
| 121 | S | 49.2 | Very low | 52 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -53.3 | 94.2 | 173.3 | -36.5 | 0 | 0 | 0 | 0 | 110.3 | H119 E123 | H119-S121 PolarHBondContact O-N 3.33Å; S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 PolarHBondContact O-N 2.91Å; S121-E123 VanDerWaalsContact O-N 3.12Å | ||
| 122 | A | 50.1 | Low | 52.7 | Low | 79 Ų | 79 | 135 Ų | 135 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | trans | -76.1 | 95.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | K120 V124 | K120-A122 PolarHBondContact O-N 3.01Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.71Å | ||
| 123 | E | 50.6 | Low | 52.4 | Low | 137 Ų | 137 | 133 Ų | 133 | 64% | 0.64 | 73% | 0.733 | S | S | * | * | trans | -45.7 | 100.1 | 161.9 | -171.4 | -175.2 | 150.2 | 0 | 0 | 107.2 | S121 R125 | S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 PolarHBondContact O-N 2.91Å; S121-E123 VanDerWaalsContact O-N 3.12Å; E123-R125 HydrophobicContact CG-CG 3.83Å; E123-R125 PolarHBondContact O-N 2.95Å; E123-R125 VanDerWaalsContact OE1-CG 3.23Å; E123-R125 WeakPolarHBondContact OE1-CG 3.47Å; E123-R125 IonicContact OE1-CZ 3.97Å; E123-R125 IonicContact OE1-NE 3.57Å; E123-R125 PolarHBondContact OE1-NE 3.15Å; E123-R125 IonicContact OE1-NH2 2.72Å; E123-R125 PolarHBondContact OE1-NH2 3.13Å; E123-R125 IonicContact OE2-NE 3.77Å | ||
| 124 | V | 52 | Low | 52.7 | Low | 138 Ų | 138 | 129.1 Ų | 129.1 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | trans | -68.5 | 81.5 | 165.4 | 178.5 | 0 | 0 | 0 | 0 | 104.8 | A122 A126 | A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.71Å; V124-A126 PolarHBondContact O-N 3.41Å | ||
| 125 | R | 55.1 | Low | 53 | Low | 181 Ų | 181 | 132.5 Ų | 132.5 | 68% | 0.683 | 72% | 0.724 | S | S | * | * | trans | -58.4 | 111.6 | 165 | -77.4 | -170.8 | 167.2 | 179.8 | -1.3 | 105.5 | E123 | E123-R125 HydrophobicContact CG-CG 3.83Å; E123-R125 PolarHBondContact O-N 2.95Å; E123-R125 VanDerWaalsContact OE1-CG 3.23Å; E123-R125 WeakPolarHBondContact OE1-CG 3.47Å; E123-R125 IonicContact OE1-CZ 3.97Å; E123-R125 IonicContact OE1-NE 3.57Å; E123-R125 PolarHBondContact OE1-NE 3.15Å; E123-R125 IonicContact OE1-NH2 2.72Å; E123-R125 PolarHBondContact OE1-NH2 3.13Å; E123-R125 IonicContact OE2-NE 3.77Å | ||
| 126 | A | 53.3 | Low | 53.1 | Low | 78 Ų | 78 | 135.4 Ų | 135.4 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | trans | -44.5 | 132.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V124 K128 | V124-A126 PolarHBondContact O-N 3.41Å; A126-K128 PolarHBondContact O-N 2.98Å | ||
| 127 | P | 52.9 | Low | 53 | Low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120.2 | 173.1 | -22 | 31.5 | 0 | 0 | 0 | 107.8 | ||
| 128 | K | 51.1 | Low | 53.2 | Low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -50 | 125.7 | 172.5 | -69.1 | 171.3 | 177 | 173.1 | 0 | 107 | A126 D130 | A126-K128 PolarHBondContact O-N 2.98Å; K128-D130 PolarHBondContact O-N 2.84Å |
| 129 | P | 52.3 | Low | 53.1 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.3 | 170 | 26 | -31 | 0 | 0 | 0 | 106.5 | C131 | P129-C131 PolarHBondContact O-N 3.13Š|
| 130 | D | 53.3 | Low | 53.6 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | trans | -62 | 100.6 | 176.3 | -173.7 | -107.3 | 0 | 0 | 0 | 108.1 | K128 K132 | K128-D130 PolarHBondContact O-N 2.84Å; D130-K132 PolarHBondContact O-N 3.13Å; D130-K132 VanDerWaalsContact OD1-CB 3.23Å; D130-K132 WeakPolarHBondContact OD1-CB 3.16Å; D130-K132 WeakPolarHBondContact OD1-CG 3.23Å | ||
| 131 | C | 54.3 | Low | 53.9 | Low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 34.4 | -177.6 | -96.8 | 0 | 0 | 0 | 0 | 113.3 | P129 | P129-C131 PolarHBondContact O-N 3.13Š|
| 132 | K | 58.1 | Low | 54.3 | Low | 172 Ų | 172 | 127.9 Ų | 127.9 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -10 | -177 | -67.9 | -79.8 | -179.2 | 169.3 | 0 | 114.3 | D130 | D130-K132 PolarHBondContact O-N 3.13Å; D130-K132 VanDerWaalsContact OD1-CB 3.23Å; D130-K132 WeakPolarHBondContact OD1-CB 3.16Å; D130-K132 WeakPolarHBondContact OD1-CG 3.23Å |
| 133 | V | 50.8 | Low | 54.7 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -98.9 | -8.3 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 134 | E | 52.4 | Low | 55 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 45% | 0.449 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -91 | -2.5 | -169.1 | -76.4 | -85.5 | 96 | 0 | 0 | 115.2 | ||
| 135 | K | 54.9 | Low | 55.3 | Low | 188 Ų | 188 | 131.5 Ų | 131.5 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.6 | -29 | -178.7 | -163 | 170.9 | 178.6 | 177.9 | 0 | 113.5 | ||
| 136 | K | 56.5 | Low | 55.3 | Low | 173 Ų | 173 | 127.3 Ų | 127.3 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.9 | -24.2 | -178.5 | -150.2 | 175.1 | -176.7 | 178.8 | 0 | 113.3 | ||
| 137 | K | 56.8 | Low | 55.4 | Low | 148 Ų | 148 | 131.1 Ų | 131.1 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.5 | -31.7 | -178.9 | -167.9 | 178.6 | 171.9 | -172.6 | 0 | 112.9 | ||
| 138 | M | 55.5 | Low | 55.1 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71 | -32.2 | 172.7 | -94 | -157.5 | -88.4 | 0 | 0 | 113.4 | L141 A142 | M138-L141 PolarHBondContact O-N 3.37Å; M138-A142 WeakPolarHBondContact O-CB 3.22Å; M138-A142 PolarHBondContact O-N 3.44Å |
| 139 | E | 54.7 | Low | 55.2 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.3 | -37.6 | -178 | -171.5 | 176.8 | 170 | 0 | 0 | 113 | L141 A142 R143 | E139-L141 VanDerWaalsContact C-N 3.33Å; E139-A142 PolarHBondContact O-N 2.94Å; E139-R143 WeakPolarHBondContact O-CB 3.34Å; E139-R143 PolarHBondContact O-N 3.41Å; E139-R143 IonicContact OE1-NE 3.92Å |
| 140 | L | 58.5 | Low | 55.2 | Low | 124 Ų | 124 | 124 Ų | 124 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.6 | -40.2 | 174.3 | -76.1 | 173 | 0 | 0 | 0 | 111.7 | R143 E144 | L140-R143 PolarHBondContact O-N 2.97Å; L140-E144 WeakPolarHBondContact O-CB 3.42Å; L140-E144 PolarHBondContact O-N 2.93Å |
| 141 | L | 59.2 | Low | 54.9 | Low | 100 Ų | 100 | 123.8 Ų | 123.8 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.2 | -38.4 | 179 | -149.1 | 148.8 | 0 | 0 | 0 | 111 | M138 E139 I145 | M138-L141 PolarHBondContact O-N 3.37Å; E139-L141 VanDerWaalsContact C-N 3.33Å; L141-I145 HydrophobicContact CD2-CD1 3.75Å; L141-I145 WeakPolarHBondContact O-CD1 3.42Å; L141-I145 WeakPolarHBondContact O-CG1 3.45Å; L141-I145 PolarHBondContact O-N 3.16Å |
| 142 | A | 58.7 | Low | 54.8 | Low | 59 Ų | 59 | 124.9 Ų | 124.9 | 49% | 0.488 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.8 | -37.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | M138 E139 I145 S146 | M138-A142 WeakPolarHBondContact O-CB 3.22Å; M138-A142 PolarHBondContact O-N 3.44Å; E139-A142 PolarHBondContact O-N 2.94Å; A142-I145 PolarHBondContact O-N 3.47Å; A142-S146 PolarHBondContact O-N 3.5Å; A142-S146 VanDerWaalsContact O-N 3.16Å |
| 143 | R | 57.2 | Low | 54.4 | Low | 164 Ų | 164 | 127.9 Ų | 127.9 | 62% | 0.619 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.9 | -38.3 | 175 | -85.6 | -179.7 | 175.9 | -126.2 | 0 | 112.6 | E139 L140 I145 S146 L147 | E139-R143 WeakPolarHBondContact O-CB 3.34Å; E139-R143 PolarHBondContact O-N 3.41Å; E139-R143 IonicContact OE1-NE 3.92Å; L140-R143 PolarHBondContact O-N 2.97Å; R143-I145 VanDerWaalsContact C-N 3.34Å; R143-S146 PolarHBondContact O-N 3.21Å; R143-L147 PolarHBondContact O-N 3.24Å |
| 144 | E | 57.8 | Low | 54.4 | Low | 147 Ų | 147 | 128.3 Ų | 128.3 | 69% | 0.687 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 176.5 | -172 | 175.4 | -169.8 | 0 | 0 | 111.5 | L140 S146 | L140-E144 WeakPolarHBondContact O-CB 3.42Å; L140-E144 PolarHBondContact O-N 2.93Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.3Å |
| 145 | I | 58.2 | Low | 54.3 | Low | 120 Ų | 120 | 128 Ų | 128 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.4 | -32.5 | 175.6 | -61.7 | 162.5 | 0 | 0 | 0 | 111.7 | L141 A142 R143 | L141-I145 HydrophobicContact CD2-CD1 3.75Å; L141-I145 WeakPolarHBondContact O-CD1 3.42Å; L141-I145 WeakPolarHBondContact O-CG1 3.45Å; L141-I145 PolarHBondContact O-N 3.16Å; A142-I145 PolarHBondContact O-N 3.47Å; R143-I145 VanDerWaalsContact C-N 3.34Å |
| 146 | S | 53.7 | Low | 54.5 | Low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76 | -23.9 | -177.1 | -169 | 0 | 0 | 0 | 0 | 114.4 | A142 R143 E144 G148 | A142-S146 PolarHBondContact O-N 3.5Å; A142-S146 VanDerWaalsContact O-N 3.16Å; R143-S146 PolarHBondContact O-N 3.21Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.3Å; S146-G148 VanDerWaalsContact C-N 3.34Å |
| 147 | L | 55.8 | Low | 54.3 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -3.5 | 179.4 | -81 | 157.4 | 0 | 0 | 0 | 113.4 | R143 | R143-L147 PolarHBondContact O-N 3.24Š|
| 148 | G | 48 | Very low | 53.9 | Low | 61 Ų | 61 | 121.2 Ų | 121.2 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 3.9 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | S146 | S146-G148 VanDerWaalsContact C-N 3.34Š|
| 149 | S | 51.6 | Low | 53.9 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.3 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 150 | P | 53.6 | Low | 53.9 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.1 | 172.2 | 28.2 | -32.4 | 0 | 0 | 0 | 110.3 | T152 | P150-T152 PolarHBondContact O-N 3.14Å; P150-T152 VanDerWaalsContact O-N 3.14Å |
| 151 | P | 46.6 | Very low | 53.7 | Low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.6 | 176.5 | 25.6 | -32.3 | 0 | 0 | 0 | 109.6 | R153 | P151-R153 PolarHBondContact O-N 2.97Š|
| 152 | T | 52 | Low | 53.4 | Low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -63.4 | 102.3 | 168.5 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | P150 T154 | P150-T152 PolarHBondContact O-N 3.14Å; P150-T152 VanDerWaalsContact O-N 3.14Å; T152-T154 PolarHBondContact O-N 3.12Å; T152-T154 VanDerWaalsContact O-N 3.07Å | ||
| 153 | R | 48.8 | Very low | 53.2 | Low | 234 Ų | 234 | 144.4 Ų | 144.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -60.3 | 109.4 | 169.9 | -67.9 | 173 | 68.8 | -169.5 | 2 | 108 | P151 A155 | P151-R153 PolarHBondContact O-N 2.97Å; R153-A155 PolarHBondContact O-N 3.07Å; R153-A155 VanDerWaalsContact O-N 3.12Å | ||
| 154 | T | 51.9 | Low | 52.9 | Low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 103.8 | 166.4 | 44.6 | 0 | 0 | 0 | 0 | 108.4 | T152 | T152-T154 PolarHBondContact O-N 3.12Å; T152-T154 VanDerWaalsContact O-N 3.07Å | ||
| 155 | A | 50.1 | Low | 52.6 | Low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -91.1 | 95.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | R153 N157 | R153-A155 PolarHBondContact O-N 3.07Å; R153-A155 VanDerWaalsContact O-N 3.12Å; A155-N157 PolarHBondContact O-N 3.38Å | ||
| 156 | T | 58.7 | Low | 52.3 | Low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -78.6 | 105.3 | 165.2 | 53.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 157 | N | 52.1 | Low | 52.2 | Low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -136.7 | 125.2 | 169.4 | -104 | -32.2 | 0 | 0 | 0 | 110.5 | A155 | A155-N157 PolarHBondContact O-N 3.38Š| ||
| 158 | G | 48.9 | Very low | 51.9 | Low | 76 Ų | 76 | 147.3 Ų | 147.3 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | 93.8 | 141.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 159 | R | 56.3 | Low | 52.3 | Low | 238 Ų | 238 | 153.9 Ų | 153.9 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | cis | -177.3 | 115.7 | 9.7 | 166.4 | -174 | -86 | -167.1 | -7.6 | 103.4 | ||||
| 160 | E | 53.4 | Low | 52.3 | Low | 201 Ų | 201 | 158.4 Ų | 158.4 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | trans | -121.4 | 152 | 164.1 | -79.2 | -165.9 | 97.5 | 0 | 0 | 109.5 | ||||
| 161 | K | 55.1 | Low | 52.2 | Low | 280 Ų | 280 | 162.9 Ų | 162.9 | 100% | 1.217 | 86% | 0.864 | S | S | * | * | trans | -82.6 | 0 | -151.1 | -70.1 | 177.6 | 172 | -173.6 | 0 | 113.8 |
Retrieved 161 of 161 residues in 110.3 ms
(Link to these results)