| 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 | 38.4 | Very low | 72.5 | Confident | 236 Ų | 236 | 156.1 Ų | 156.1 | 100% | 1.163 | 76% | 0.759 | S | S | * | * | 0 | 132.5 | 0 | -70.9 | -177.7 | 180 | 0 | 0 | 106.7 | E3 | M1-E3 PolarHBondContact O-N 3.4Š| |||
| 2 | S | 52.9 | Low | 73.7 | Confident | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -48.2 | 114.4 | -163.6 | -71.5 | 0 | 0 | 0 | 0 | 116.1 | F4 | S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 2.88Å | ||
| 3 | E | 68.6 | Low | 74.6 | Confident | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | -82.5 | 6 | 172.8 | -78.5 | 154 | 161.7 | 0 | 0 | 114.1 | M1 | M1-E3 PolarHBondContact O-N 3.4Š| ||
| 4 | F | 61.5 | Low | 75.6 | Confident | 191 Ų | 191 | 142.1 Ų | 142.1 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -100.4 | 20.4 | -165.4 | -77 | -77.9 | 0 | 0 | 0 | 117 | S2 | S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 2.88Å | ||
| 5 | R | 68.2 | Low | 76.6 | Confident | 213 Ų | 213 | 139.2 Ų | 139.2 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -127.6 | 4.2 | -172.7 | -62.4 | -167.2 | -152.8 | -160.8 | 6.3 | 117.5 | ||
| 6 | N | 80.8 | Confident | 77.2 | Confident | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -104.4 | 138.6 | 177 | -63.2 | -32 | 0 | 0 | 0 | 110.4 | V8 | N6-V8 PolarHBondContact O-N 3.47Š|
| 7 | F | 82.8 | Confident | 77.9 | Confident | 201 Ų | 201 | 133.6 Ų | 133.6 | 88% | 0.882 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 132.2 | 166.5 | -64.6 | -77.7 | 0 | 0 | 0 | 108.2 | S9 | F7-S9 PolarHBondContact O-N 3.45Š|
| 8 | V | 79.8 | Confident | 78.5 | Confident | 98 Ų | 98 | 133.6 Ų | 133.6 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 122.4 | 173.5 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | N6 E12 I13 | N6-V8 PolarHBondContact O-N 3.47Å; V8-E12 WeakPolarHBondContact CA-OE2 2.86Å; V8-E12 HydrophobicContact CG1-CB 3.91Å; V8-I13 HydrophobicContact CG1-CD1 4.29Å; V8-I13 HydrophobicContact CG1-CG1 3.6Å |
| 9 | S | 86.3 | Confident | 79.1 | Confident | 62 Ų | 62 | 134.3 Ų | 134.3 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -75 | 150.5 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | F7 F11 E12 I13 | F7-S9 PolarHBondContact O-N 3.45Å; S9-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact O-N 3.16Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 PolarHBondContact O-N 2.89Å; S9-I13 PolarHBondContact O-N 3.42Å; S9-I13 VanDerWaalsContact O-N 3.15Å |
| 10 | E | 89.5 | Confident | 79.5 | Confident | 152 Ų | 152 | 130.4 Ų | 130.4 | 71% | 0.71 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -49.7 | -40.5 | 171.4 | -178.1 | 179.2 | -171.3 | 0 | 0 | 111.5 | E12 I13 D14 | E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 2.84Å; E10-I13 WeakPolarHBondContact O-CB 3.32Å; E10-I13 PolarHBondContact O-N 3.35Å; E10-D14 PolarHBondContact O-N 2.95Å |
| 11 | F | 89.4 | Confident | 79.9 | Confident | 137 Ų | 137 | 126 Ų | 126 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.7 | -35.8 | 177 | -178.9 | -112.1 | 0 | 0 | 0 | 113.6 | S9 Q15 | S9-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact O-N 3.16Å; F11-Q15 HydrophobicContact CZ-CG 4.44Å; F11-Q15 WeakPolarHBondContact O-CG 3.44Å; F11-Q15 PolarHBondContact O-N 2.95Å; F11-Q15 VanDerWaalsContact O-N 3.09Å |
| 12 | E | 86.9 | Confident | 82.4 | Confident | 103 Ų | 103 | 118.8 Ų | 118.8 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.3 | -38 | 177.2 | -68.5 | 173.8 | 172.3 | 0 | 0 | 111.1 | V8 S9 E10 D14 Q15 E16 | V8-E12 WeakPolarHBondContact CA-OE2 2.86Å; V8-E12 HydrophobicContact CG1-CB 3.91Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 PolarHBondContact O-N 2.89Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 2.84Å; E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 PolarHBondContact O-N 3.47Å; E12-Q15 PolarHBondContact O-N 3.21Å; E12-E16 WeakPolarHBondContact O-CB 3.29Å; E12-E16 PolarHBondContact O-N 3.43Å |
| 13 | I | 85.5 | Confident | 84.1 | Confident | 80 Ų | 80 | 119 Ų | 119 | 41% | 0.41 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 175 | -60.4 | 174.8 | 0 | 0 | 0 | 110.1 | V8 S9 E10 E16 K17 | V8-I13 HydrophobicContact CG1-CD1 4.29Å; V8-I13 HydrophobicContact CG1-CG1 3.6Å; S9-I13 PolarHBondContact O-N 3.42Å; S9-I13 VanDerWaalsContact O-N 3.15Å; E10-I13 WeakPolarHBondContact O-CB 3.32Å; E10-I13 PolarHBondContact O-N 3.35Å; I13-E16 PolarHBondContact O-N 3.45Å; I13-K17 HydrophobicContact CG2-CD 4.46Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 2.88Å |
| 14 | D | 88.4 | Confident | 85.1 | Confident | 89 Ų | 89 | 112.8 Ų | 112.8 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | -179.9 | -76.1 | -15.2 | 0 | 0 | 0 | 112.7 | E10 E12 E16 K17 K18 | E10-D14 PolarHBondContact O-N 2.95Å; E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 PolarHBondContact O-N 3.47Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.47Å; D14-K17 PolarHBondContact O-N 3.31Å; D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 PolarHBondContact O-N 2.97Å |
| 15 | Q | 89.8 | Confident | 86.3 | Confident | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.1 | -79.7 | -163 | 40.9 | 0 | 0 | 111.8 | F11 E12 K18 R19 | F11-Q15 HydrophobicContact CZ-CG 4.44Å; F11-Q15 WeakPolarHBondContact O-CG 3.44Å; F11-Q15 PolarHBondContact O-N 2.95Å; F11-Q15 VanDerWaalsContact O-N 3.09Å; E12-Q15 PolarHBondContact O-N 3.21Å; Q15-K18 PolarHBondContact O-N 3.43Å; Q15-R19 WeakPolarHBondContact O-CG 3.42Å; Q15-R19 PolarHBondContact O-N 2.96Å |
| 16 | E | 87.1 | Confident | 87.3 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 179.2 | -179.6 | 54.7 | -150.1 | 0 | 0 | 111.5 | E12 I13 D14 K18 R19 R20 | E12-E16 WeakPolarHBondContact O-CB 3.29Å; E12-E16 PolarHBondContact O-N 3.43Å; I13-E16 PolarHBondContact O-N 3.45Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.47Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.98Å; E16-R19 PolarHBondContact O-N 2.89Å; E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 PolarHBondContact O-N 3.03Å; E16-R20 IonicContact OE1-CZ 2.96Å; E16-R20 IonicContact OE1-NH2 3.66Å; E16-R20 PolarHBondContact OE1-NH2 2.95Å |
| 17 | K | 88.2 | Confident | 87.5 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 170.4 | -73.3 | -172.1 | -175.7 | -152.1 | 0 | 111.9 | I13 D14 R20 Q21 E38 | I13-K17 HydrophobicContact CG2-CD 4.46Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 2.88Å; D14-K17 PolarHBondContact O-N 3.31Å; K17-R20 PolarHBondContact O-N 3.25Å; K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.25Å; K17-E38 IonicContact NZ-OE1 2.75Å; K17-E38 PolarHBondContact NZ-OE1 3.5Å |
| 18 | K | 89.4 | Confident | 87.7 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | 178.5 | -168 | -174 | -177.1 | -162 | 0 | 112 | D14 Q15 E16 R20 Q21 E22 | D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 PolarHBondContact O-N 2.97Å; Q15-K18 PolarHBondContact O-N 3.43Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.98Å; K18-R20 VanDerWaalsContact C-N 3.31Å; K18-R20 PolarHBondContact O-N 2.98Å; K18-Q21 WeakPolarHBondContact O-CB 3.29Å; K18-Q21 PolarHBondContact O-N 3.26Å; K18-Q21 VanDerWaalsContact O-N 3.12Å; K18-E22 WeakPolarHBondContact CE-OE1 3.3Å; K18-E22 HydrophobicContact CG-CG 4.47Å; K18-E22 WeakPolarHBondContact CG-OE1 3.49Å; K18-E22 IonicContact NZ-OE1 3.94Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 3.15Å |
| 19 | R | 89.4 | Confident | 87.9 | Confident | 146 Ų | 146 | 101.6 Ų | 101.6 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.5 | -45.8 | 175.2 | -75.4 | -168.6 | 67.4 | 149.5 | 1.7 | 111.4 | Q15 E16 Q21 E22 E23 | Q15-R19 WeakPolarHBondContact O-CG 3.42Å; Q15-R19 PolarHBondContact O-N 2.96Å; E16-R19 PolarHBondContact O-N 2.89Å; R19-Q21 VanDerWaalsContact C-N 3.31Å; R19-Q21 PolarHBondContact O-N 3.47Å; R19-E22 PolarHBondContact O-N 2.98Å; R19-E23 WeakPolarHBondContact O-CB 3.34Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.37Å |
| 20 | R | 87.7 | Confident | 87.6 | Confident | 57 Ų | 57 | 105 Ų | 105 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 175.3 | -169.8 | -177.3 | -60.6 | 97.8 | 14.4 | 112 | E16 K17 K18 W24 A36 P37 | E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 PolarHBondContact O-N 3.03Å; E16-R20 IonicContact OE1-CZ 2.96Å; E16-R20 IonicContact OE1-NH2 3.66Å; E16-R20 PolarHBondContact OE1-NH2 2.95Å; K17-R20 PolarHBondContact O-N 3.25Å; K18-R20 VanDerWaalsContact C-N 3.31Å; K18-R20 PolarHBondContact O-N 2.98Å; R20-W24 WeakPolarHBondContact O-CB 3.32Å; R20-W24 PolarHBondContact O-N 3.37Å; R20-A36 HydrophobicContact CB-CB 4.49Å; R20-A36 HydrophobicContact CG-CB 3.76Å; R20-P37 WeakPolarHBondContact CD-O 3.49Å |
| 21 | Q | 88.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 103.2 Ų | 103.2 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.9 | -176 | 62 | 24.2 | 0 | 0 | 112.3 | K17 K18 R19 W24 E25 R34 | K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.25Å; K18-Q21 WeakPolarHBondContact O-CB 3.29Å; K18-Q21 PolarHBondContact O-N 3.26Å; K18-Q21 VanDerWaalsContact O-N 3.12Å; R19-Q21 VanDerWaalsContact C-N 3.31Å; R19-Q21 PolarHBondContact O-N 3.47Å; Q21-W24 WeakPolarHBondContact O-CB 3.25Å; Q21-W24 PolarHBondContact O-N 2.99Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CB 3.5Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 3.33Å; Q21-R34 PolarHBondContact NE2-O 3.01Å |
| 22 | E | 89.5 | Confident | 87 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177 | -70.5 | 171.5 | -171 | 0 | 0 | 111.7 | K18 R19 R26 | K18-E22 WeakPolarHBondContact CE-OE1 3.3Å; K18-E22 HydrophobicContact CG-CG 4.47Å; K18-E22 WeakPolarHBondContact CG-OE1 3.49Å; K18-E22 IonicContact NZ-OE1 3.94Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 3.15Å; R19-E22 PolarHBondContact O-N 2.98Å; E22-R26 PolarHBondContact O-N 2.94Å |
| 23 | E | 88.8 | Confident | 86.8 | Confident | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 172.8 | -72.8 | 172.8 | -164.2 | 0 | 0 | 112.1 | R19 R26 V27 | R19-E23 WeakPolarHBondContact O-CB 3.34Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.37Å; E23-R26 WeakPolarHBondContact O-CB 2.97Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-V27 PolarHBondContact O-N 3.43Å |
| 24 | W | 90.3 | Very high | 86.5 | Confident | 52 Ų | 52 | 103.9 Ų | 103.9 | 20% | 0.197 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63 | -50.5 | 174.6 | -174.6 | -125.2 | 0 | 0 | 0 | 111 | R20 Q21 R26 V27 R28 Q32 P33 A36 P37 | R20-W24 WeakPolarHBondContact O-CB 3.32Å; R20-W24 PolarHBondContact O-N 3.37Å; Q21-W24 WeakPolarHBondContact O-CB 3.25Å; Q21-W24 PolarHBondContact O-N 2.99Å; W24-R26 PolarHBondContact O-N 3.15Å; W24-R26 VanDerWaalsContact O-N 3.14Å; W24-V27 CarbonylContact O-C 3.55Å; W24-V27 PolarHBondContact O-N 2.93Å; W24-R28 VanDerWaalsContact O-CA 3.29Å; W24-R28 WeakPolarHBondContact O-CA 3.38Å; W24-R28 WeakPolarHBondContact O-CB 3.45Å; W24-R28 PolarHBondContact O-N 3.31Å; W24-Q32 HydrophobicContact CH2-CB 4.31Å; W24-Q32 HydrophobicContact CH2-CG 4.47Å; W24-Q32 HydrophobicContact CZ2-CB 3.76Å; W24-Q32 HydrophobicContact CZ2-CG 4.39Å; W24-P33 PolarHBondContact NE1-O 2.88Å; W24-A36 HydrophobicContact CB-CB 3.52Å; W24-A36 VanDerWaalsContact CD1-CA 3.48Å; W24-A36 HydrophobicContact CD2-CB 4.49Å; W24-A36 HydrophobicContact CG-CB 3.71Å; W24-P37 HydrophobicContact CZ2-CG 4.44Å |
| 25 | E | 87 | Confident | 86.2 | Confident | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -29.5 | 178.6 | -75.4 | 177.2 | -174.1 | 0 | 0 | 113 | Q21 | Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CB 3.5Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 3.33Å |
| 26 | R | 87.8 | Confident | 85.9 | Confident | 180 Ų | 180 | 101.8 Ų | 101.8 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | 174.3 | -170.8 | -179.5 | -62.4 | 99.9 | 5.1 | 113.3 | E22 E23 W24 | E22-R26 PolarHBondContact O-N 2.94Å; E23-R26 WeakPolarHBondContact O-CB 2.97Å; E23-R26 PolarHBondContact O-N 2.92Å; W24-R26 PolarHBondContact O-N 3.15Å; W24-R26 VanDerWaalsContact O-N 3.14Å |
| 27 | V | 86.4 | Confident | 85.7 | Confident | 108 Ų | 108 | 101 Ų | 101 | 66% | 0.655 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -101.7 | -12.7 | -175.3 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | E23 W24 R29 | E23-V27 PolarHBondContact O-N 3.43Å; W24-V27 CarbonylContact O-C 3.55Å; W24-V27 PolarHBondContact O-N 2.93Å; V27-R29 PolarHBondContact O-N 3.5Å |
| 28 | R | 85.5 | Confident | 85.4 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 29% | 0.291 | 48% | 0.479 | S | S | . | . | trans | -61.1 | 129.9 | -175 | 166.1 | -168.4 | 178.4 | 69.9 | 8 | 110.7 | W24 Q32 P33 R34 | W24-R28 VanDerWaalsContact O-CA 3.29Å; W24-R28 WeakPolarHBondContact O-CA 3.38Å; W24-R28 WeakPolarHBondContact O-CB 3.45Å; W24-R28 PolarHBondContact O-N 3.31Å; R28-Q32 PolarHBondContact NH1-O 2.94Å; R28-Q32 PolarHBondContact NH2-O 3.38Å; R28-P33 PolarHBondContact NH1-O 3.39Å; R28-R34 VanDerWaalsContact NH1-N 3.19Å | ||
| 29 | R | 83.8 | Confident | 85 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | trans | -90.6 | 157.7 | 166.7 | -63.7 | -169.9 | -52.7 | -99.7 | 2 | 111 | V27 D31 Q32 | V27-R29 PolarHBondContact O-N 3.5Å; R29-D31 WeakPolarHBondContact CB-OD1 3.46Å; R29-D31 IonicContact NE-OD1 2.79Å; R29-D31 PolarHBondContact NE-OD1 3.15Å; R29-D31 IonicContact NE-OD2 3.54Å; R29-D31 IonicContact NH2-OD2 3.14Å; R29-D31 PolarHBondContact O-N 3.47Å; R29-D31 VanDerWaalsContact O-N 3.1Å; R29-Q32 HydrophobicContact CB-CG 4.39Å; R29-Q32 PolarHBondContact O-N 2.87Å; R29-Q32 VanDerWaalsContact O-N 3.14Å | ||
| 30 | P | 81.9 | Confident | 84.7 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 86% | 0.857 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.7 | -175.7 | 23.7 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 31 | D | 83.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.3 | 179 | 61.2 | -37.7 | 0 | 0 | 0 | 114.2 | R29 | R29-D31 WeakPolarHBondContact CB-OD1 3.46Å; R29-D31 IonicContact NE-OD1 2.79Å; R29-D31 PolarHBondContact NE-OD1 3.15Å; R29-D31 IonicContact NE-OD2 3.54Å; R29-D31 IonicContact NH2-OD2 3.14Å; R29-D31 PolarHBondContact O-N 3.47Å; R29-D31 VanDerWaalsContact O-N 3.1Å |
| 32 | Q | 82.2 | Confident | 84.5 | Confident | 40 Ų | 40 | 105.8 Ų | 105.8 | 19% | 0.187 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -92.5 | 159.4 | -171 | -66.7 | 179.5 | -42.9 | 0 | 0 | 113.1 | W24 R28 R29 | W24-Q32 HydrophobicContact CH2-CB 4.31Å; W24-Q32 HydrophobicContact CH2-CG 4.47Å; W24-Q32 HydrophobicContact CZ2-CB 3.76Å; W24-Q32 HydrophobicContact CZ2-CG 4.39Å; R28-Q32 PolarHBondContact NH1-O 2.94Å; R28-Q32 PolarHBondContact NH2-O 3.38Å; R29-Q32 HydrophobicContact CB-CG 4.39Å; R29-Q32 PolarHBondContact O-N 2.87Å; R29-Q32 VanDerWaalsContact O-N 3.14Å |
| 33 | P | 82.9 | Confident | 84.6 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | trans | -66.1 | 134.8 | -178.3 | -22.4 | 34 | 0 | 0 | 0 | 113.6 | W24 R28 E35 | W24-P33 PolarHBondContact NE1-O 2.88Å; R28-P33 PolarHBondContact NH1-O 3.39Å; P33-E35 PolarHBondContact O-N 2.94Å | ||
| 34 | R | 79.1 | Confident | 84.7 | Confident | 202 Ų | 202 | 108 Ų | 108 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -52.7 | -41.8 | -172.1 | -174.5 | 175.1 | 176.1 | 174 | -2 | 112.6 | Q21 R28 | Q21-R34 PolarHBondContact NE2-O 3.01Å; R28-R34 VanDerWaalsContact NH1-N 3.19Å |
| 35 | E | 80.4 | Confident | 84.9 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -84.3 | 136.1 | 178.3 | -168.9 | 166.7 | -165 | 0 | 0 | 110.5 | P33 | P33-E35 PolarHBondContact O-N 2.94Š|
| 36 | A | 84.3 | Confident | 85.1 | Confident | 9 Ų | 9 | 109.8 Ų | 109.8 | 7% | 0.074 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -63.1 | 132.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R20 W24 E38 | R20-A36 HydrophobicContact CB-CB 4.49Å; R20-A36 HydrophobicContact CG-CB 3.76Å; W24-A36 HydrophobicContact CB-CB 3.52Å; W24-A36 VanDerWaalsContact CD1-CA 3.48Å; W24-A36 HydrophobicContact CD2-CB 4.49Å; W24-A36 HydrophobicContact CG-CB 3.71Å; A36-E38 PolarHBondContact O-N 3.42Å |
| 37 | P | 82.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 108.7 Ų | 108.7 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 128.6 | 178.2 | -26.9 | 34.6 | 0 | 0 | 0 | 111.5 | R20 W24 | R20-P37 WeakPolarHBondContact CD-O 3.49Å; W24-P37 HydrophobicContact CZ2-CG 4.44Å |
| 38 | E | 82.4 | Confident | 85.9 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 142.5 | 174.2 | -66.9 | -163.6 | 148 | 0 | 0 | 109.8 | K17 A36 E40 | K17-E38 IonicContact NZ-OE1 2.75Å; K17-E38 PolarHBondContact NZ-OE1 3.5Å; A36-E38 PolarHBondContact O-N 3.42Å; E38-E40 PolarHBondContact O-N 2.86Å |
| 39 | P | 81.8 | Confident | 86.3 | Confident | 79 Ų | 79 | 106 Ų | 106 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 135 | 179.1 | 25.8 | -33.4 | 0 | 0 | 0 | 109.7 | V41 | P39-V41 PolarHBondContact O-N 3.44Š|
| 40 | E | 81.7 | Confident | 86.9 | Confident | 197 Ų | 197 | 103.5 Ų | 103.5 | 92% | 0.921 | 54% | 0.535 | S | S | * | . | trans | -58.4 | 109.3 | 179.2 | -68.1 | -178.5 | -173.6 | 0 | 0 | 109.9 | E38 D42 | E38-E40 PolarHBondContact O-N 2.86Å; E40-D42 PolarHBondContact O-N 3.47Å | ||
| 41 | V | 84.3 | Confident | 87.5 | Confident | 116 Ų | 116 | 102.9 Ų | 102.9 | 70% | 0.703 | 52% | 0.516 | S | S | * | . | trans | -72.5 | 120.6 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | P39 T43 | P39-V41 PolarHBondContact O-N 3.44Å; V41-T43 PolarHBondContact O-N 3.01Å | ||
| 42 | D | 87.3 | Confident | 88 | Confident | 50 Ų | 50 | 100.9 Ų | 100.9 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | trans | -53.3 | 122.1 | 173.4 | -174.3 | -13.9 | 0 | 0 | 0 | 108 | E40 R44 R49 | E40-D42 PolarHBondContact O-N 3.47Å; D42-R44 WeakPolarHBondContact OD1-CB 3.24Å; D42-R44 WeakPolarHBondContact OD1-CG 3.28Å; D42-R44 IonicContact OD1-CZ 3.83Å; D42-R44 PolarHBondContact OD1-N 2.87Å; D42-R44 IonicContact OD1-NE 2.63Å; D42-R44 PolarHBondContact OD1-NE 3.33Å; D42-R44 IonicContact OD2-CZ 3.25Å; D42-R44 IonicContact OD2-NE 2.77Å; D42-R44 PolarHBondContact OD2-NE 3.41Å; D42-R44 IonicContact OD2-NH2 2.7Å; D42-R44 PolarHBondContact OD2-NH2 2.87Å; D42-R49 VanDerWaalsContact CG-NE 3.27Å; D42-R49 PolarHBondContact O-NH2 3.37Å; D42-R49 IonicContact OD1-NE 4Å; D42-R49 WeakPolarHBondContact OD2-CD 3.32Å; D42-R49 VanDerWaalsContact OD2-CG 3.28Å; D42-R49 WeakPolarHBondContact OD2-CG 3.35Å; D42-R49 IonicContact OD2-NE 2.81Å; D42-R49 PolarHBondContact OD2-NE 3.11Å | ||
| 43 | T | 91.8 | Very high | 88.6 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 83% | 0.828 | 52% | 0.523 | S | S | * | . | trans | -92.4 | -5.4 | -178.2 | 54.5 | 0 | 0 | 0 | 0 | 112 | V41 | V41-T43 PolarHBondContact O-N 3.01Š| ||
| 44 | R | 91.8 | Very high | 89.2 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 37% | 0.366 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -68.2 | 146.1 | -179.7 | -60.1 | 175.1 | -62.6 | 168.6 | 12.6 | 110.1 | D42 V48 R49 E52 | D42-R44 WeakPolarHBondContact OD1-CB 3.24Å; D42-R44 WeakPolarHBondContact OD1-CG 3.28Å; D42-R44 IonicContact OD1-CZ 3.83Å; D42-R44 PolarHBondContact OD1-N 2.87Å; D42-R44 IonicContact OD1-NE 2.63Å; D42-R44 PolarHBondContact OD1-NE 3.33Å; D42-R44 IonicContact OD2-CZ 3.25Å; D42-R44 IonicContact OD2-NE 2.77Å; D42-R44 PolarHBondContact OD2-NE 3.41Å; D42-R44 IonicContact OD2-NH2 2.7Å; D42-R44 PolarHBondContact OD2-NH2 2.87Å; R44-V48 HydrophobicContact CB-CB 4.32Å; R44-V48 HydrophobicContact CB-CG1 4.44Å; R44-R49 HydrophobicContact CB-CG 4.5Å; R44-R49 VanDerWaalsContact O-CZ 3.3Å; R44-R49 PolarHBondContact O-NE 3.33Å; R44-R49 PolarHBondContact O-NH2 3.41Å; R44-E52 IonicContact CZ-OE1 2.85Å; R44-E52 IonicContact CZ-OE2 3.21Å; R44-E52 IonicContact NH1-OE1 3.07Å; R44-E52 PolarHBondContact NH1-OE1 2.87Å; R44-E52 IonicContact NH1-OE2 3.62Å; R44-E52 PolarHBondContact NH1-OE2 3.05Å; R44-E52 IonicContact NH2-OE1 3.95Å; R44-E52 IonicContact NH2-OE2 3.33Å; R44-E52 PolarHBondContact NH2-OE2 3.41Å |
| 45 | P | 93.9 | Very high | 90.1 | Very high | 88 Ų | 88 | 104 Ų | 104 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | trans | -54 | 143.5 | 174.3 | -24.4 | 33.4 | 0 | 0 | 0 | 111.3 | Y47 V48 R49 | P45-Y47 PolarHBondContact O-N 3.24Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.3Å; P45-R49 PolarHBondContact O-N 3.32Å | ||
| 46 | L | 92.2 | Very high | 90.8 | Very high | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -51.4 | -36.6 | -179.3 | -179 | 62.7 | 0 | 0 | 0 | 112.5 | V48 R49 L50 | L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-R49 PolarHBondContact O-N 2.87Å; L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CD2-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 2.95Å |
| 47 | Y | 95.3 | Very high | 91.3 | Very high | 156 Ų | 156 | 106.3 Ų | 106.3 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.3 | -44.4 | 175.1 | 170.5 | -106.4 | 0 | 0 | 0 | 113 | P45 R51 | P45-Y47 PolarHBondContact O-N 3.24Å; Y47-R51 WeakPolarHBondContact O-CB 3.44Å; Y47-R51 PolarHBondContact O-N 3.43Å |
| 48 | V | 95.2 | Very high | 91.9 | Very high | 48 Ų | 48 | 107.1 Ų | 107.1 | 29% | 0.291 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | -179 | 179.2 | 0 | 0 | 0 | 0 | 110 | R44 P45 L46 R51 E52 | R44-V48 HydrophobicContact CB-CB 4.32Å; R44-V48 HydrophobicContact CB-CG1 4.44Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.3Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.97Å; V48-R51 PolarHBondContact O-N 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.47Å; V48-E52 PolarHBondContact O-N 3.48Å |
| 49 | R | 93.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 106 Ų | 106 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 178.9 | -53.1 | -174.4 | -150.7 | 170 | 9.7 | 112.4 | D42 R44 P45 L46 R51 E52 Q53 | D42-R49 VanDerWaalsContact CG-NE 3.27Å; D42-R49 PolarHBondContact O-NH2 3.37Å; D42-R49 IonicContact OD1-NE 4Å; D42-R49 WeakPolarHBondContact OD2-CD 3.32Å; D42-R49 VanDerWaalsContact OD2-CG 3.28Å; D42-R49 WeakPolarHBondContact OD2-CG 3.35Å; D42-R49 IonicContact OD2-NE 2.81Å; D42-R49 PolarHBondContact OD2-NE 3.11Å; R44-R49 HydrophobicContact CB-CG 4.5Å; R44-R49 VanDerWaalsContact O-CZ 3.3Å; R44-R49 PolarHBondContact O-NE 3.33Å; R44-R49 PolarHBondContact O-NH2 3.41Å; P45-R49 PolarHBondContact O-N 3.32Å; L46-R49 PolarHBondContact O-N 2.87Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.34Å; R49-E52 PolarHBondContact O-N 2.9Å; R49-Q53 WeakPolarHBondContact O-CG 3.34Å; R49-Q53 PolarHBondContact O-N 3.27Å |
| 50 | L | 95 | Very high | 92.9 | Very high | 87 Ų | 87 | 107.3 Ų | 107.3 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.9 | -70.4 | 178.2 | 0 | 0 | 0 | 111.6 | L46 Q53 R54 | L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CD2-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 2.95Å; L50-Q53 PolarHBondContact O-N 3.04Å; L50-R54 PolarHBondContact O-N 2.83Å |
| 51 | R | 96.1 | Very high | 93.4 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.1 | 179.9 | 178.9 | 172.6 | -170.6 | -5.8 | 111 | Y47 V48 R49 Q53 R54 E55 | Y47-R51 WeakPolarHBondContact O-CB 3.44Å; Y47-R51 PolarHBondContact O-N 3.43Å; V48-R51 PolarHBondContact O-N 3.41Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.34Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.4Å; R51-R54 WeakPolarHBondContact O-CB 3.25Å; R51-R54 PolarHBondContact O-N 3.47Å; R51-R54 VanDerWaalsContact O-N 3.15Å; R51-E55 HydrophobicContact CG-CG 4.28Å; R51-E55 IonicContact CZ-OE1 3.94Å; R51-E55 IonicContact NE-OE1 3.3Å; R51-E55 PolarHBondContact NE-OE1 3.22Å; R51-E55 IonicContact NH2-OE1 3.49Å; R51-E55 PolarHBondContact NH2-OE1 2.93Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.17Å |
| 52 | E | 94.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 101.8 Ų | 101.8 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176 | -75.2 | 171.9 | -174.4 | 0 | 0 | 112.4 | R44 V48 R49 R54 E55 K56 | R44-E52 IonicContact CZ-OE1 2.85Å; R44-E52 IonicContact CZ-OE2 3.21Å; R44-E52 IonicContact NH1-OE1 3.07Å; R44-E52 PolarHBondContact NH1-OE1 2.87Å; R44-E52 IonicContact NH1-OE2 3.62Å; R44-E52 PolarHBondContact NH1-OE2 3.05Å; R44-E52 IonicContact NH2-OE1 3.95Å; R44-E52 IonicContact NH2-OE2 3.33Å; R44-E52 PolarHBondContact NH2-OE2 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.47Å; V48-E52 PolarHBondContact O-N 3.48Å; R49-E52 PolarHBondContact O-N 2.9Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 2.96Å; E52-E55 PolarHBondContact O-N 3.07Å; E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 PolarHBondContact O-N 3.07Å |
| 53 | Q | 94.1 | Very high | 93.7 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -42 | 173.7 | -74.3 | -179.9 | -8.9 | 0 | 0 | 111.8 | R49 L50 R51 A57 | R49-Q53 WeakPolarHBondContact O-CG 3.34Å; R49-Q53 PolarHBondContact O-N 3.27Å; L50-Q53 PolarHBondContact O-N 3.04Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.4Å; Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 3.1Å |
| 54 | R | 96.2 | Very high | 93.5 | Very high | 179 Ų | 179 | 101.4 Ų | 101.4 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 175.5 | -176.1 | -172.8 | -63.5 | 155.6 | 0.2 | 111.7 | L50 R51 E52 K56 A57 Q58 | L50-R54 PolarHBondContact O-N 2.83Å; R51-R54 WeakPolarHBondContact O-CB 3.25Å; R51-R54 PolarHBondContact O-N 3.47Å; R51-R54 VanDerWaalsContact O-N 3.15Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 2.96Å; R54-K56 VanDerWaalsContact C-N 3.33Å; R54-A57 PolarHBondContact O-N 2.91Å; R54-Q58 WeakPolarHBondContact O-CB 3.34Å; R54-Q58 PolarHBondContact O-N 3.2Å |
| 55 | E | 96.7 | Very high | 93.1 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 179.6 | -74.5 | 176.1 | 171.6 | 0 | 0 | 111 | R51 E52 Q58 L59 | R51-E55 HydrophobicContact CG-CG 4.28Å; R51-E55 IonicContact CZ-OE1 3.94Å; R51-E55 IonicContact NE-OE1 3.3Å; R51-E55 PolarHBondContact NE-OE1 3.22Å; R51-E55 IonicContact NH2-OE1 3.49Å; R51-E55 PolarHBondContact NH2-OE1 2.93Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.17Å; E52-E55 PolarHBondContact O-N 3.07Å; E55-Q58 PolarHBondContact O-N 3.44Å; E55-L59 VanDerWaalsContact O-CB 3.3Å; E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 PolarHBondContact O-N 3.36Å |
| 56 | K | 95.5 | Very high | 92.6 | Very high | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.587 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.4 | -49.6 | 173.1 | -177.7 | 179.6 | 176.5 | -178.1 | 0 | 111.6 | E52 R54 Q58 L59 E60 | E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 PolarHBondContact O-N 3.07Å; R54-K56 VanDerWaalsContact C-N 3.33Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.28Å; K56-L59 PolarHBondContact O-N 2.91Å; K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact CG-OE1 3.48Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.18Å |
| 57 | A | 95.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q53 R54 F61 | Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 3.1Å; R54-A57 PolarHBondContact O-N 2.91Å; A57-F61 WeakPolarHBondContact O-CB 3.05Å; A57-F61 PolarHBondContact O-N 3.01Å |
| 58 | Q | 95 | Very high | 90.6 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.5 | -174 | 63.1 | 52.6 | 0 | 0 | 111.3 | R54 E55 K56 F61 D62 | R54-Q58 WeakPolarHBondContact O-CB 3.34Å; R54-Q58 PolarHBondContact O-N 3.2Å; E55-Q58 PolarHBondContact O-N 3.44Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.28Å; Q58-F61 WeakPolarHBondContact O-CB 3.38Å; Q58-F61 PolarHBondContact O-N 3.36Å; Q58-D62 PolarHBondContact NE2-OD1 3.49Å; Q58-D62 WeakPolarHBondContact O-CB 3.42Å; Q58-D62 PolarHBondContact O-N 2.95Å |
| 59 | L | 93.6 | Very high | 89.5 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 178.4 | -176.1 | 142 | 0 | 0 | 0 | 111.4 | E55 K56 F61 D62 E63 | E55-L59 VanDerWaalsContact O-CB 3.3Å; E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 PolarHBondContact O-N 3.36Å; K56-L59 PolarHBondContact O-N 2.91Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.09Å; L59-D62 PolarHBondContact O-N 3.43Å; L59-E63 HydrophobicContact CD2-CG 4.38Å; L59-E63 WeakPolarHBondContact CD2-OE1 3.33Å; L59-E63 WeakPolarHBondContact O-CB 3.38Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 3.37Å |
| 60 | E | 92 | Very high | 88.4 | Confident | 105 Ų | 105 | 104.4 Ų | 104.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 173.3 | -72 | 172.1 | -167.7 | 0 | 0 | 111.7 | K56 A64 | K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact CG-OE1 3.48Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.18Å; E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.25Å |
| 61 | F | 92.3 | Very high | 86.9 | Confident | 113 Ų | 113 | 106 Ų | 106 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 175.4 | -179 | -93.7 | 0 | 0 | 0 | 112.1 | A57 Q58 L59 E63 A64 M65 | A57-F61 WeakPolarHBondContact O-CB 3.05Å; A57-F61 PolarHBondContact O-N 3.01Å; Q58-F61 WeakPolarHBondContact O-CB 3.38Å; Q58-F61 PolarHBondContact O-N 3.36Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.09Å; F61-E63 VanDerWaalsContact C-N 3.35Å; F61-E63 PolarHBondContact O-N 3.12Å; F61-A64 PolarHBondContact O-N 3.25Å; F61-M65 HydrophobicContact CD1-CG 3.92Å; F61-M65 HydrophobicContact CD2-CE 4.41Å; F61-M65 HydrophobicContact CD2-CG 4.32Å; F61-M65 HydrophobicContact CE1-CG 3.49Å; F61-M65 VanDerWaalsContact CE1-CG 3.49Å; F61-M65 HydrophobicContact CE2-CE 3.92Å; F61-M65 HydrophobicContact CE2-CG 3.93Å; F61-M65 HydrophobicContact CE2-SD 4.31Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CE 4.28Å; F61-M65 HydrophobicContact CZ-CG 3.49Å; F61-M65 VanDerWaalsContact CZ-CG 3.49Å; F61-M65 HydrophobicContact CZ-SD 4.06Å; F61-M65 WeakPolarHBondContact O-CB 3.24Å; F61-M65 VanDerWaalsContact O-CG 3.31Å; F61-M65 WeakPolarHBondContact O-CG 3.49Å; F61-M65 PolarHBondContact O-N 3.44Å |
| 62 | D | 91 | Very high | 85.8 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 179.5 | -70 | -13.1 | 0 | 0 | 0 | 111 | Q58 L59 K66 | Q58-D62 PolarHBondContact NE2-OD1 3.49Å; Q58-D62 WeakPolarHBondContact O-CB 3.42Å; Q58-D62 PolarHBondContact O-N 2.95Å; L59-D62 PolarHBondContact O-N 3.43Å; D62-K66 WeakPolarHBondContact O-CA 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 3.19Å |
| 63 | E | 87 | Confident | 85.1 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 173.6 | -75.1 | -177.8 | 177.5 | 0 | 0 | 111.7 | L59 F61 K66 L67 | L59-E63 HydrophobicContact CD2-CG 4.38Å; L59-E63 WeakPolarHBondContact CD2-OE1 3.33Å; L59-E63 WeakPolarHBondContact O-CB 3.38Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 3.37Å; F61-E63 VanDerWaalsContact C-N 3.35Å; F61-E63 PolarHBondContact O-N 3.12Å; E63-K66 PolarHBondContact O-N 3.07Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.33Å |
| 64 | A | 86.5 | Confident | 84.7 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E60 F61 K68 | E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.25Å; F61-A64 PolarHBondContact O-N 3.25Å; A64-K68 VanDerWaalsContact O-CB 3.24Å; A64-K68 WeakPolarHBondContact O-CB 3.35Å; A64-K68 PolarHBondContact O-N 3Å |
| 65 | M | 84.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 99.1 Ų | 99.1 | 27% | 0.266 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 177.6 | -71.6 | -56.2 | 118.6 | 0 | 0 | 111.5 | F61 L67 K68 H69 | F61-M65 HydrophobicContact CD1-CG 3.92Å; F61-M65 HydrophobicContact CD2-CE 4.41Å; F61-M65 HydrophobicContact CD2-CG 4.32Å; F61-M65 HydrophobicContact CE1-CG 3.49Å; F61-M65 VanDerWaalsContact CE1-CG 3.49Å; F61-M65 HydrophobicContact CE2-CE 3.92Å; F61-M65 HydrophobicContact CE2-CG 3.93Å; F61-M65 HydrophobicContact CE2-SD 4.31Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CE 4.28Å; F61-M65 HydrophobicContact CZ-CG 3.49Å; F61-M65 VanDerWaalsContact CZ-CG 3.49Å; F61-M65 HydrophobicContact CZ-SD 4.06Å; F61-M65 WeakPolarHBondContact O-CB 3.24Å; F61-M65 VanDerWaalsContact O-CG 3.31Å; F61-M65 WeakPolarHBondContact O-CG 3.49Å; F61-M65 PolarHBondContact O-N 3.44Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L67 PolarHBondContact O-N 3.15Å; M65-K68 HydrophobicContact CE-CD 4.36Å; M65-K68 WeakPolarHBondContact O-CB 3.32Å; M65-K68 PolarHBondContact O-N 3.19Å; M65-K68 HydrophobicContact SD-CD 4.26Å; M65-H69 PolarHBondContact O-CD2 2.88Å; M65-H69 PolarHBondContact O-N 2.91Å |
| 66 | K | 83 | Confident | 84 | Confident | 154 Ų | 154 | 101.5 Ų | 101.5 | 67% | 0.67 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 177.5 | -177.2 | 177.9 | -178.1 | -177.9 | 0 | 111.3 | D62 E63 H69 S70 | D62-K66 WeakPolarHBondContact O-CA 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 3.19Å; E63-K66 PolarHBondContact O-N 3.07Å; K66-H69 PolarHBondContact O-N 3.31Å; K66-S70 VanDerWaalsContact O-CB 3.28Å; K66-S70 WeakPolarHBondContact O-CB 3.49Å; K66-S70 PolarHBondContact O-N 3.42Å; K66-S70 PolarHBondContact O-OG 3.42Å |
| 67 | L | 71.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 176.9 | -171.4 | 63.4 | 0 | 0 | 0 | 111.3 | E63 M65 H69 S70 V71 | E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.33Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L67 PolarHBondContact O-N 3.15Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 2.95Å; L67-S70 PolarHBondContact O-N 3.35Å; L67-V71 HydrophobicContact CD1-CG2 4.13Å; L67-V71 PolarHBondContact O-N 2.7Å |
| 68 | K | 74 | Confident | 83.7 | Confident | 138 Ų | 138 | 102.7 Ų | 102.7 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.9 | -36.7 | 176 | -175.4 | -179.9 | 177.9 | -174.8 | 0 | 112.7 | A64 M65 | A64-K68 VanDerWaalsContact O-CB 3.24Å; A64-K68 WeakPolarHBondContact O-CB 3.35Å; A64-K68 PolarHBondContact O-N 3Å; M65-K68 HydrophobicContact CE-CD 4.36Å; M65-K68 WeakPolarHBondContact O-CB 3.32Å; M65-K68 PolarHBondContact O-N 3.19Å; M65-K68 HydrophobicContact SD-CD 4.26Å |
| 69 | H | 71.4 | Confident | 83.6 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -86.1 | -27.2 | 178.4 | -62.8 | -61 | 0 | 0 | 0 | 113.5 | M65 K66 L67 R72 | M65-H69 PolarHBondContact O-CD2 2.88Å; M65-H69 PolarHBondContact O-N 2.91Å; K66-H69 PolarHBondContact O-N 3.31Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 2.95Å; H69-R72 PolarHBondContact ND1-NH2 3.07Å; H69-R72 WeakPolarHBondContact O-CB 3.42Å; H69-R72 PolarHBondContact O-N 3.02Å |
| 70 | S | 70.5 | Confident | 83.7 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.1 | -30.6 | 179.9 | -59.5 | 0 | 0 | 0 | 0 | 113 | K66 L67 | K66-S70 VanDerWaalsContact O-CB 3.28Å; K66-S70 WeakPolarHBondContact O-CB 3.49Å; K66-S70 PolarHBondContact O-N 3.42Å; K66-S70 PolarHBondContact O-OG 3.42Å; L67-S70 PolarHBondContact O-N 3.35Å |
| 71 | V | 64.3 | Low | 84 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 20.5 | 175.2 | -163.6 | 0 | 0 | 0 | 0 | 110.8 | L67 G73 | L67-V71 HydrophobicContact CD1-CG2 4.13Å; L67-V71 PolarHBondContact O-N 2.7Å; V71-G73 PolarHBondContact O-N 3.35Å |
| 72 | R | 72.8 | Confident | 84.1 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 48% | 0.475 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -78 | 122.9 | 168.2 | -171.1 | 144.2 | 55.2 | 90.7 | 5 | 107.4 | H69 D75 | H69-R72 PolarHBondContact ND1-NH2 3.07Å; H69-R72 WeakPolarHBondContact O-CB 3.42Å; H69-R72 PolarHBondContact O-N 3.02Å; R72-D75 IonicContact NH1-OD1 3.8Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 2.8Å |
| 73 | G | 80.2 | Confident | 84.4 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 158 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V71 D75 | V71-G73 PolarHBondContact O-N 3.35Å; G73-D75 PolarHBondContact O-N 3.1Å |
| 74 | L | 85.9 | Confident | 84.9 | Confident | 105 Ų | 105 | 103.1 Ų | 103.1 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 129.6 | 169.1 | -67.6 | 164.9 | 0 | 0 | 0 | 108 | E78 I82 | L74-E78 WeakPolarHBondContact CA-OE2 3.49Å; L74-E78 HydrophobicContact CB-CB 4.31Å; L74-E78 HydrophobicContact CD2-CB 4.23Å; L74-I82 HydrophobicContact CD1-CD1 3.55Å; L74-I82 HydrophobicContact CD2-CD1 4.04Å; L74-I82 HydrophobicContact CG-CD1 4.4Å |
| 75 | D | 86.9 | Confident | 85.4 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 40% | 0.396 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 156.9 | 175.1 | -62.9 | -27.4 | 0 | 0 | 0 | 109 | R72 G73 D77 E78 L79 | R72-D75 IonicContact NH1-OD1 3.8Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 2.8Å; G73-D75 PolarHBondContact O-N 3.1Å; D75-D77 PolarHBondContact O-N 3Å; D75-E78 HydrophobicContact CB-CG 4.19Å; D75-E78 PolarHBondContact N-OE2 3.34Å; D75-E78 VanDerWaalsContact N-OE2 3.09Å; D75-E78 WeakPolarHBondContact O-CA 3.03Å; D75-E78 WeakPolarHBondContact O-CB 3.31Å; D75-E78 PolarHBondContact O-N 3.43Å; D75-L79 PolarHBondContact O-N 3.31Å |
| 76 | D | 91 | Very high | 86 | Confident | 138 Ų | 138 | 105.3 Ų | 105.3 | 74% | 0.738 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.8 | -38.6 | -174.8 | -71.4 | -27.7 | 0 | 0 | 0 | 112.5 | E78 L79 E80 | D76-E78 VanDerWaalsContact C-N 3.35Å; D76-L79 PolarHBondContact O-N 2.78Å; D76-E80 PolarHBondContact O-N 3.48Å |
| 77 | D | 92.5 | Very high | 86.7 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 175.7 | -61.7 | -10.5 | 0 | 0 | 0 | 112.1 | D75 F81 | D75-D77 PolarHBondContact O-N 3Å; D77-F81 PolarHBondContact O-N 3.5Å |
| 78 | E | 92.4 | Very high | 88 | Confident | 85 Ų | 85 | 101.7 Ų | 101.7 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 177.2 | -63.2 | 179.4 | 159 | 0 | 0 | 110.8 | L74 D75 D76 F81 I82 | L74-E78 WeakPolarHBondContact CA-OE2 3.49Å; L74-E78 HydrophobicContact CB-CB 4.31Å; L74-E78 HydrophobicContact CD2-CB 4.23Å; D75-E78 HydrophobicContact CB-CG 4.19Å; D75-E78 PolarHBondContact N-OE2 3.34Å; D75-E78 VanDerWaalsContact N-OE2 3.09Å; D75-E78 WeakPolarHBondContact O-CA 3.03Å; D75-E78 WeakPolarHBondContact O-CB 3.31Å; D75-E78 PolarHBondContact O-N 3.43Å; D76-E78 VanDerWaalsContact C-N 3.35Å; E78-F81 PolarHBondContact O-N 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.99Å |
| 79 | L | 92.8 | Very high | 89.1 | Confident | 98 Ų | 98 | 103 Ų | 103 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -45 | 174.3 | -177.1 | 64.3 | 0 | 0 | 0 | 111.4 | D75 D76 F81 I82 E83 | D75-L79 PolarHBondContact O-N 3.31Å; D76-L79 PolarHBondContact O-N 2.78Å; L79-F81 VanDerWaalsContact C-N 3.3Å; L79-F81 PolarHBondContact O-N 3.26Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.17Å; L79-E83 PolarHBondContact O-N 2.81Å |
| 80 | E | 95.5 | Very high | 90.3 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 175.6 | -177.3 | 177.6 | -170 | 0 | 0 | 111.3 | D76 I82 E83 Q84 | D76-E80 PolarHBondContact O-N 3.48Å; E80-I82 PolarHBondContact O-N 3.36Å; E80-E83 PolarHBondContact O-N 2.81Å; E80-Q84 WeakPolarHBondContact O-CB 3.37Å; E80-Q84 PolarHBondContact O-N 3.3Å |
| 81 | F | 96.9 | Very high | 91.6 | Very high | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 174.9 | 175.2 | -101.9 | 0 | 0 | 0 | 112.1 | D77 E78 L79 Q84 V85 | D77-F81 PolarHBondContact O-N 3.5Å; E78-F81 PolarHBondContact O-N 3.32Å; L79-F81 VanDerWaalsContact C-N 3.3Å; L79-F81 PolarHBondContact O-N 3.26Å; F81-Q84 PolarHBondContact O-N 2.87Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CD2-CG2 4.43Å; F81-V85 HydrophobicContact CE1-CG2 3.88Å; F81-V85 HydrophobicContact CE2-CG2 3.98Å; F81-V85 HydrophobicContact CZ-CG2 3.68Å; F81-V85 VanDerWaalsContact O-CG2 3.32Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.21Å |
| 82 | I | 95.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 103.7 Ų | 103.7 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.2 | -68.5 | 163.1 | 0 | 0 | 0 | 110.7 | L74 E78 L79 E80 Q84 V85 D86 | L74-I82 HydrophobicContact CD1-CD1 3.55Å; L74-I82 HydrophobicContact CD2-CD1 4.04Å; L74-I82 HydrophobicContact CG-CD1 4.4Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.99Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.17Å; E80-I82 PolarHBondContact O-N 3.36Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; I82-V85 PolarHBondContact O-N 3.39Å; I82-D86 WeakPolarHBondContact O-CB 3.41Å; I82-D86 PolarHBondContact O-N 3.24Å |
| 83 | E | 96.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 100.7 Ų | 100.7 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 176.2 | -173 | -176.7 | 173.3 | 0 | 0 | 111.6 | L79 E80 D86 R87 | L79-E83 PolarHBondContact O-N 2.81Å; E80-E83 PolarHBondContact O-N 2.81Å; E83-D86 PolarHBondContact O-N 2.84Å; E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.36Å |
| 84 | Q | 97.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 107.4 Ų | 107.4 | 34% | 0.341 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | 175.7 | 64.7 | 84 | 0 | 0 | 112.1 | E80 F81 I82 I88 | E80-Q84 WeakPolarHBondContact O-CB 3.37Å; E80-Q84 PolarHBondContact O-N 3.3Å; F81-Q84 PolarHBondContact O-N 2.87Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; Q84-I88 HydrophobicContact CG-CD1 4.1Å; Q84-I88 WeakPolarHBondContact O-CD1 3.48Å; Q84-I88 VanDerWaalsContact O-CG1 3.25Å; Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.44Å |
| 85 | V | 97.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 108.7 Ų | 108.7 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | F81 I82 R87 I88 R89 | F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CD2-CG2 4.43Å; F81-V85 HydrophobicContact CE1-CG2 3.88Å; F81-V85 HydrophobicContact CE2-CG2 3.98Å; F81-V85 HydrophobicContact CZ-CG2 3.68Å; F81-V85 VanDerWaalsContact O-CG2 3.32Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.21Å; I82-V85 PolarHBondContact O-N 3.39Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.27Å; V85-I88 PolarHBondContact O-N 3.44Å; V85-R89 WeakPolarHBondContact O-CB 3.33Å; V85-R89 PolarHBondContact O-N 3.32Å |
| 86 | D | 97.6 | Very high | 96.3 | Very high | 91 Ų | 91 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.7 | -81.6 | -15.8 | 0 | 0 | 0 | 111.6 | I82 E83 R89 S90 | I82-D86 WeakPolarHBondContact O-CB 3.41Å; I82-D86 PolarHBondContact O-N 3.24Å; E83-D86 PolarHBondContact O-N 2.84Å; D86-R89 PolarHBondContact O-N 3Å; D86-S90 VanDerWaalsContact O-CB 3.24Å; D86-S90 WeakPolarHBondContact O-CB 3.03Å; D86-S90 PolarHBondContact O-N 3.43Å |
| 87 | R | 97.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 110 Ų | 110 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -51.5 | 171.8 | 173.2 | 169 | 56.1 | -147.4 | 2.4 | 111.5 | E83 V85 R89 S90 E91 | E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.36Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.27Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R87-R89 PolarHBondContact O-N 3.45Å; R87-S90 PolarHBondContact O-N 2.86Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.8Å |
| 88 | I | 97.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 107.2 Ų | 107.2 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 179.7 | -70.8 | 163.2 | 0 | 0 | 0 | 110.9 | Q84 V85 E91 M92 | Q84-I88 HydrophobicContact CG-CD1 4.1Å; Q84-I88 WeakPolarHBondContact O-CD1 3.48Å; Q84-I88 VanDerWaalsContact O-CG1 3.25Å; Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.44Å; V85-I88 PolarHBondContact O-N 3.44Å; I88-E91 PolarHBondContact O-N 3.36Å; I88-M92 WeakPolarHBondContact O-CB 3.37Å; I88-M92 PolarHBondContact O-N 3.01Å |
| 89 | R | 97.7 | Very high | 97.1 | Very high | 166 Ų | 166 | 107.9 Ų | 107.9 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 179.2 | -174.2 | 178.4 | -179.3 | -179.6 | 2 | 111.5 | V85 D86 R87 E91 M92 D93 | V85-R89 WeakPolarHBondContact O-CB 3.33Å; V85-R89 PolarHBondContact O-N 3.32Å; D86-R89 PolarHBondContact O-N 3Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R87-R89 PolarHBondContact O-N 3.45Å; R89-E91 PolarHBondContact O-N 2.79Å; R89-M92 PolarHBondContact O-N 2.9Å; R89-D93 WeakPolarHBondContact O-CB 3.45Å; R89-D93 PolarHBondContact O-N 3.15Å |
| 90 | S | 97.2 | Very high | 97.3 | Very high | 80 Ų | 80 | 108.6 Ų | 108.6 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | D86 R87 D93 R94 | D86-S90 VanDerWaalsContact O-CB 3.24Å; D86-S90 WeakPolarHBondContact O-CB 3.03Å; D86-S90 PolarHBondContact O-N 3.43Å; R87-S90 PolarHBondContact O-N 2.86Å; S90-D93 PolarHBondContact O-N 3Å; S90-R94 VanDerWaalsContact O-CB 3.28Å; S90-R94 WeakPolarHBondContact O-CB 3.2Å; S90-R94 PolarHBondContact O-N 3.46Å |
| 91 | E | 97.9 | Very high | 97.4 | Very high | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | 175.1 | -75.1 | 177.7 | -177.2 | 0 | 0 | 112.3 | R87 I88 R89 R94 K95 | R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.8Å; I88-E91 PolarHBondContact O-N 3.36Å; R89-E91 PolarHBondContact O-N 2.79Å; E91-R94 PolarHBondContact O-N 2.85Å; E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 PolarHBondContact O-N 2.7Å |
| 92 | M | 97.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 107.8 Ų | 107.8 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 175.2 | -173.5 | -173.7 | -65.7 | 0 | 0 | 111.1 | I88 R89 R94 K95 I96 | I88-M92 WeakPolarHBondContact O-CB 3.37Å; I88-M92 PolarHBondContact O-N 3.01Å; R89-M92 PolarHBondContact O-N 2.9Å; M92-R94 VanDerWaalsContact C-N 3.3Å; M92-R94 PolarHBondContact O-N 3.42Å; M92-K95 WeakPolarHBondContact O-CB 3.4Å; M92-K95 PolarHBondContact O-N 2.91Å; M92-K95 VanDerWaalsContact O-N 3.15Å; M92-I96 HydrophobicContact CG-CD1 4.04Å; M92-I96 WeakPolarHBondContact O-CG1 3.44Å; M92-I96 PolarHBondContact O-N 3.3Å |
| 93 | D | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 109 Ų | 109 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.9 | -75.7 | -14.1 | 0 | 0 | 0 | 111.4 | R89 S90 R97 | R89-D93 WeakPolarHBondContact O-CB 3.45Å; R89-D93 PolarHBondContact O-N 3.15Å; S90-D93 PolarHBondContact O-N 3Å; D93-R97 VanDerWaalsContact O-CG 3.29Å; D93-R97 WeakPolarHBondContact O-CG 3.37Å; D93-R97 PolarHBondContact O-N 3.49Å |
| 94 | R | 97.7 | Very high | 97.4 | Very high | 196 Ų | 196 | 107.1 Ų | 107.1 | 74% | 0.74 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 174.8 | -177.7 | -180 | 179.1 | -175.7 | 0.3 | 111.7 | S90 E91 M92 R97 S98 | S90-R94 VanDerWaalsContact O-CB 3.28Å; S90-R94 WeakPolarHBondContact O-CB 3.2Å; S90-R94 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 2.85Å; M92-R94 VanDerWaalsContact C-N 3.3Å; M92-R94 PolarHBondContact O-N 3.42Å; R94-R97 PolarHBondContact O-N 2.96Å; R94-S98 PolarHBondContact O-N 3.35Å |
| 95 | K | 97.7 | Very high | 97.3 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -47.1 | 178.2 | -176.8 | 174.7 | 175.8 | 178.3 | 0 | 111.2 | E91 M92 R97 S98 E99 | E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 PolarHBondContact O-N 2.7Å; M92-K95 WeakPolarHBondContact O-CB 3.4Å; M92-K95 PolarHBondContact O-N 2.91Å; M92-K95 VanDerWaalsContact O-N 3.15Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.79Å; K95-S98 WeakPolarHBondContact O-CB 3.48Å; K95-S98 PolarHBondContact O-N 2.81Å; K95-S98 VanDerWaalsContact O-N 3.15Å; K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.37Å; K95-E99 WeakPolarHBondContact O-CG 3.17Å; K95-E99 PolarHBondContact O-N 2.91Å |
| 96 | I | 97.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 107.4 Ų | 107.4 | 35% | 0.354 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 175.9 | -67.6 | 166.1 | 0 | 0 | 0 | 110.2 | M92 S98 E99 E100 | M92-I96 HydrophobicContact CG-CD1 4.04Å; M92-I96 WeakPolarHBondContact O-CG1 3.44Å; M92-I96 PolarHBondContact O-N 3.3Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.77Å; I96-E99 PolarHBondContact O-N 3.18Å; I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CB 3.37Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.34Å |
| 97 | R | 97.6 | Very high | 97 | Very high | 170 Ų | 170 | 106.8 Ų | 106.8 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -38 | 178.3 | -72 | 176.2 | -166.7 | 169.1 | 7.9 | 113.1 | D93 R94 K95 Q101 | D93-R97 VanDerWaalsContact O-CG 3.29Å; D93-R97 WeakPolarHBondContact O-CG 3.37Å; D93-R97 PolarHBondContact O-N 3.49Å; R94-R97 PolarHBondContact O-N 2.96Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.79Å; R97-Q101 VanDerWaalsContact O-CB 3.25Å; R97-Q101 WeakPolarHBondContact O-CB 3.28Å; R97-Q101 PolarHBondContact O-N 3.24Å |
| 98 | S | 97.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 109.4 Ų | 109.4 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | R94 K95 I96 Q101 E102 | R94-S98 PolarHBondContact O-N 3.35Å; K95-S98 WeakPolarHBondContact O-CB 3.48Å; K95-S98 PolarHBondContact O-N 2.81Å; K95-S98 VanDerWaalsContact O-N 3.15Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.77Å; S98-Q101 PolarHBondContact O-N 2.63Å; S98-E102 PolarHBondContact O-N 2.96Å |
| 99 | E | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 111.7 Ų | 111.7 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.5 | -69.1 | 173.8 | -172.8 | 0 | 0 | 111 | K95 I96 Q101 E102 V103 | K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.37Å; K95-E99 WeakPolarHBondContact O-CG 3.17Å; K95-E99 PolarHBondContact O-N 2.91Å; I96-E99 PolarHBondContact O-N 3.18Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.14Å; E99-E102 PolarHBondContact O-N 3.45Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 3.06Å |
| 100 | E | 97.3 | Very high | 96.3 | Very high | 112 Ų | 112 | 107.3 Ų | 107.3 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.9 | -73.5 | 177.3 | 169.8 | 0 | 0 | 111.9 | I96 V103 I104 | I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CB 3.37Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.34Å; E100-V103 PolarHBondContact O-N 2.99Å; E100-I104 WeakPolarHBondContact O-CB 3.47Å; E100-I104 WeakPolarHBondContact O-CD1 3.12Å; E100-I104 VanDerWaalsContact O-CG1 3.23Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.3Å |
| 101 | Q | 97.7 | Very high | 95.9 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.3 | 179.1 | 175 | -4 | 0 | 0 | 111.9 | R97 S98 E99 I104 Q105 | R97-Q101 VanDerWaalsContact O-CB 3.25Å; R97-Q101 WeakPolarHBondContact O-CB 3.28Å; R97-Q101 PolarHBondContact O-N 3.24Å; S98-Q101 PolarHBondContact O-N 2.63Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.14Å; Q101-I104 PolarHBondContact O-N 3.01Å; Q101-Q105 WeakPolarHBondContact O-CB 3.15Å; Q101-Q105 VanDerWaalsContact O-CG 3.29Å; Q101-Q105 WeakPolarHBondContact O-CG 3.19Å; Q101-Q105 PolarHBondContact O-N 3.47Å |
| 102 | E | 97.2 | Very high | 95.3 | Very high | 136 Ų | 136 | 110.6 Ų | 110.6 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.5 | -45.2 | 175.2 | -174.7 | 178.3 | 176.7 | 0 | 0 | 111.3 | S98 E99 I104 Q105 A106 | S98-E102 PolarHBondContact O-N 2.96Å; E99-E102 PolarHBondContact O-N 3.45Å; E102-I104 PolarHBondContact O-N 3.49Å; E102-Q105 PolarHBondContact O-N 3.29Å; E102-A106 PolarHBondContact O-N 3.5Å |
| 103 | V | 96.1 | Very high | 93.8 | Very high | 93 Ų | 93 | 108.6 Ų | 108.6 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | E99 E100 Q105 A106 V107 | E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 3.06Å; E100-V103 PolarHBondContact O-N 2.99Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.36Å; V103-A106 PolarHBondContact O-N 3.01Å; V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.46Å |
| 104 | I | 95.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 110.1 Ų | 110.1 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -41.7 | 176.5 | -69.4 | 164.6 | 0 | 0 | 0 | 110.8 | E100 Q101 E102 V107 R108 | E100-I104 WeakPolarHBondContact O-CB 3.47Å; E100-I104 WeakPolarHBondContact O-CD1 3.12Å; E100-I104 VanDerWaalsContact O-CG1 3.23Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.3Å; Q101-I104 PolarHBondContact O-N 3.01Å; E102-I104 PolarHBondContact O-N 3.49Å; I104-V107 PolarHBondContact O-N 3.5Å; I104-R108 HydrophobicContact CG2-CG 4.49Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 VanDerWaalsContact O-CG 3.29Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.25Å |
| 105 | Q | 96.1 | Very high | 89.9 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 176.9 | -74.6 | 178.8 | 37.3 | 0 | 0 | 112 | Q101 E102 V103 V107 R108 Q109 | Q101-Q105 WeakPolarHBondContact O-CB 3.15Å; Q101-Q105 VanDerWaalsContact O-CG 3.29Å; Q101-Q105 WeakPolarHBondContact O-CG 3.19Å; Q101-Q105 PolarHBondContact O-N 3.47Å; E102-Q105 PolarHBondContact O-N 3.29Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.36Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.45Å; Q105-R108 PolarHBondContact O-N 2.89Å; Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 2.87Å |
| 106 | A | 94.2 | Very high | 87.8 | Confident | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.8 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E102 V103 Q109 A110 | E102-A106 PolarHBondContact O-N 3.5Å; V103-A106 PolarHBondContact O-N 3.01Å; A106-Q109 PolarHBondContact O-N 2.86Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.33Å |
| 107 | V | 95.1 | Very high | 85.5 | Confident | 78 Ų | 78 | 108.7 Ų | 108.7 | 47% | 0.473 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -44.5 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V103 I104 Q105 Q109 A110 M111 | V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.46Å; I104-V107 PolarHBondContact O-N 3.5Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.45Å; V107-Q109 VanDerWaalsContact C-N 3.35Å; V107-Q109 PolarHBondContact O-N 3.49Å; V107-A110 PolarHBondContact O-N 3.42Å; V107-M111 HydrophobicContact CG1-CG 4.4Å; V107-M111 HydrophobicContact CG1-SD 3.88Å; V107-M111 VanDerWaalsContact O-CG 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.4Å; V107-M111 PolarHBondContact O-N 3.33Å |
| 108 | R | 94.7 | Very high | 83.2 | Confident | 167 Ų | 167 | 107.4 Ų | 107.4 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.7 | -43.9 | 175.8 | -74.3 | 174.6 | -177.1 | 175.2 | 2.8 | 111.8 | I104 Q105 M111 V112 | I104-R108 HydrophobicContact CG2-CG 4.49Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 VanDerWaalsContact O-CG 3.29Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.25Å; Q105-R108 PolarHBondContact O-N 2.89Å; R108-M111 PolarHBondContact O-N 3.07Å; R108-V112 WeakPolarHBondContact O-CB 3.35Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.96Å |
| 109 | Q | 92.8 | Very high | 80.9 | Confident | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.3 | -42.3 | 176.6 | -71.6 | 174.6 | 9.7 | 0 | 0 | 111.8 | Q105 A106 V107 M111 V112 S113 | Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 2.87Å; A106-Q109 PolarHBondContact O-N 2.86Å; V107-Q109 VanDerWaalsContact C-N 3.35Å; V107-Q109 PolarHBondContact O-N 3.49Å; Q109-M111 VanDerWaalsContact C-N 3.34Å; Q109-M111 PolarHBondContact O-N 3.23Å; Q109-V112 PolarHBondContact O-N 3.45Å; Q109-S113 VanDerWaalsContact O-CB 3.22Å; Q109-S113 WeakPolarHBondContact O-CB 3.21Å; Q109-S113 PolarHBondContact O-N 3.02Å |
| 110 | A | 90.8 | Very high | 78.6 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.8 | -33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A106 V107 | A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.33Å; V107-A110 PolarHBondContact O-N 3.42Å |
| 111 | M | 87.8 | Confident | 76.3 | Confident | 147 Ų | 147 | 111.8 Ų | 111.8 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.4 | -37 | 175.8 | -68.1 | 174.9 | 106.9 | 0 | 0 | 112.8 | V107 R108 Q109 | V107-M111 HydrophobicContact CG1-CG 4.4Å; V107-M111 HydrophobicContact CG1-SD 3.88Å; V107-M111 VanDerWaalsContact O-CG 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.4Å; V107-M111 PolarHBondContact O-N 3.33Å; R108-M111 PolarHBondContact O-N 3.07Å; Q109-M111 VanDerWaalsContact C-N 3.34Å; Q109-M111 PolarHBondContact O-N 3.23Å |
| 112 | V | 85.3 | Confident | 73.8 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 76% | 0.758 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.6 | -15.9 | 178.7 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | R108 Q109 P114 | R108-V112 WeakPolarHBondContact O-CB 3.35Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.96Å; Q109-V112 PolarHBondContact O-N 3.45Å; V112-P114 WeakPolarHBondContact O-CD 3.49Å |
| 113 | S | 66.6 | Low | 71.2 | Confident | 72 Ų | 72 | 110.6 Ų | 110.6 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | trans | -98.5 | 61.9 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 112.9 | Q109 | Q109-S113 VanDerWaalsContact O-CB 3.22Å; Q109-S113 WeakPolarHBondContact O-CB 3.21Å; Q109-S113 PolarHBondContact O-N 3.02Å | ||
| 114 | P | 57.9 | Low | 68.7 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | trans | -77 | 135.8 | 158.9 | 35.5 | -28.3 | 0 | 0 | 0 | 108 | V112 | V112-P114 WeakPolarHBondContact O-CD 3.49Š| ||
| 115 | V | 54.9 | Low | 66.2 | Low | 134 Ų | 134 | 112.4 Ų | 112.4 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 80.9 | 37.1 | 159.4 | -139.7 | 0 | 0 | 0 | 0 | 119.5 | ||
| 116 | S | 53.8 | Low | 63.7 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -142.8 | 59.5 | 161.3 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 117 | N | 49.9 | Very low | 60.9 | Low | 146 Ų | 146 | 114.8 Ų | 114.8 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | -163.8 | 61.8 | 150.8 | -91.5 | -25 | 0 | 0 | 0 | 109.5 | S119 | N117-S119 VanDerWaalsContact C-N 3.28Š| ||
| 118 | V | 49.4 | Very low | 59 | Low | 143 Ų | 143 | 116.8 Ų | 116.8 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | -96.5 | 55.5 | 155.5 | -71.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 119 | S | 49.2 | Very low | 56.6 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -157.1 | 119.3 | 165.3 | 58.8 | 0 | 0 | 0 | 0 | 108.6 | N117 | N117-S119 VanDerWaalsContact C-N 3.28Š|
| 120 | N | 47.4 | Very low | 54.6 | Low | 160 Ų | 160 | 122.7 Ų | 122.7 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | 78.3 | 54.1 | 179.4 | -67 | -9.1 | 0 | 0 | 0 | 118.1 | ||||
| 121 | V | 49.3 | Very low | 52.5 | Low | 130 Ų | 130 | 123.6 Ų | 123.6 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -105.1 | 96 | 131.8 | -169.7 | 0 | 0 | 0 | 0 | 105.8 | V123 | V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 2.91Å | ||
| 122 | S | 45 | Very low | 50.5 | Low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -55.2 | 104.7 | 166.6 | 170.9 | 0 | 0 | 0 | 0 | 107 | G124 | S122-G124 PolarHBondContact O-N 3.37Š| ||
| 123 | V | 44.1 | Very low | 48.7 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -63.4 | 82.9 | 164 | -176.1 | 0 | 0 | 0 | 0 | 105.8 | V121 N125 | V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 2.91Å; V123-N125 PolarHBondContact O-N 3.37Å | ||
| 124 | G | 43.7 | Very low | 48.1 | Very low | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | -70 | 73.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | S122 A126 | S122-G124 PolarHBondContact O-N 3.37Å; G124-A126 PolarHBondContact O-N 3.48Å | ||
| 125 | N | 41.3 | Very low | 48 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -63.6 | 84.1 | 157.1 | -92.8 | 20.5 | 0 | 0 | 0 | 107.7 | V123 | V123-N125 PolarHBondContact O-N 3.37Š| ||
| 126 | A | 43.9 | Very low | 48.5 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -130.3 | 83.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | G124 P128 | G124-A126 PolarHBondContact O-N 3.48Å; A126-P128 VanDerWaalsContact O-CD 3.22Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å | ||
| 127 | C | 35.3 | Very low | 49.3 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | trans | -64.2 | 117.4 | 161.4 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 128 | P | 55.7 | Low | 50.8 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -98.9 | 97.5 | 156.8 | 25.3 | -5.5 | 0 | 0 | 0 | 106.9 | A126 R130 | A126-P128 VanDerWaalsContact O-CD 3.22Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-R130 PolarHBondContact O-N 2.95Å; P128-R130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | K | 44.7 | Very low | 52.3 | Low | 179 Ų | 179 | 130.6 Ų | 130.6 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -58 | 115.7 | 155.2 | -67.7 | 176.9 | -178.7 | 174.2 | 0 | 106.6 | ||||
| 130 | R | 49.9 | Very low | 54 | Low | 244 Ų | 244 | 133.3 Ų | 133.3 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | 177.4 | 128.7 | 137.2 | -96 | 164.8 | -126.5 | -148.1 | 4.6 | 112.8 | P128 | P128-R130 PolarHBondContact O-N 2.95Å; P128-R130 VanDerWaalsContact O-N 3.15Å | ||
| 131 | A | 47.1 | Very low | 55.6 | Low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | 71.4 | 99.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 132 | A | 45.9 | Very low | 57.1 | Low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | 35.6 | 127.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 133 | S | 46.8 | Very low | 58.7 | Low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 69.4 | 101.3 | 156.5 | 68.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 134 | N | 54.7 | Low | 60.5 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | 175.4 | 122 | 110.7 | -79.9 | -28.4 | 0 | 0 | 0 | 109.2 | V136 | N134-V136 PolarHBondContact O-N 3.29Š| |||
| 135 | K | 56.2 | Low | 62.1 | Low | 214 Ų | 214 | 127 Ų | 127 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | trans | -76.3 | 88.5 | -174.6 | -62.2 | -179.8 | -177.4 | -170.5 | 0 | 109.9 | ||||
| 136 | V | 65.2 | Low | 63.5 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -91.5 | 108.9 | 167 | -173 | 0 | 0 | 0 | 0 | 107.3 | N134 S138 | N134-V136 PolarHBondContact O-N 3.29Å; V136-S138 PolarHBondContact O-N 2.84Å | ||
| 137 | Q | 70.9 | Confident | 65 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 70% | 0.698 | S | S | * | * | trans | -66 | 132.9 | 176 | -64.1 | -157.5 | -19.8 | 0 | 0 | 109.8 | ||||
| 138 | S | 81.7 | Confident | 66.6 | Low | 76 Ų | 76 | 123 Ų | 123 | 53% | 0.531 | 69% | 0.694 | S | S | . | * | trans | -57.3 | 140.2 | 173.7 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | V136 Q140 A141 T142 | V136-S138 PolarHBondContact O-N 2.84Å; S138-Q140 PolarHBondContact O-N 2.88Å; S138-Q140 PolarHBondContact OG-N 3.12Å; S138-A141 WeakPolarHBondContact O-CA 2.93Å; S138-A141 WeakPolarHBondContact O-CB 3.29Å; S138-A141 PolarHBondContact O-N 2.79Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 VanDerWaalsContact O-N 3.1Å; S138-T142 PolarHBondContact O-OG1 3.42Å | ||
| 139 | K | 81.1 | Confident | 67.4 | Low | 194 Ų | 194 | 128.1 Ų | 128.1 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -50.4 | -33.8 | 177.6 | -66.4 | -179.2 | 178 | 179.3 | 0 | 112.6 | L143 | K139-L143 PolarHBondContact O-N 2.82Å |
| 140 | Q | 83.8 | Confident | 68.7 | Low | 142 Ų | 142 | 129.9 Ų | 129.9 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.9 | -40.9 | 176.3 | -168.5 | 177.8 | 6.3 | 0 | 0 | 111.8 | S138 T142 L143 L144 | S138-Q140 PolarHBondContact O-N 2.88Å; S138-Q140 PolarHBondContact OG-N 3.12Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 2.66Å; Q140-L143 PolarHBondContact O-N 3.14Å; Q140-L144 HydrophobicContact CG-CD1 3.87Å; Q140-L144 WeakPolarHBondContact O-CD1 2.93Å; Q140-L144 PolarHBondContact O-N 3.1Å |
| 141 | A | 81.1 | Confident | 69.4 | Low | 47 Ų | 47 | 127.3 Ų | 127.3 | 39% | 0.388 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S138 L143 L144 A145 | S138-A141 WeakPolarHBondContact O-CA 2.93Å; S138-A141 WeakPolarHBondContact O-CB 3.29Å; S138-A141 PolarHBondContact O-N 2.79Å; A141-L143 VanDerWaalsContact C-N 3.34Å; A141-L144 PolarHBondContact O-N 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å |
| 142 | T | 80.6 | Confident | 70.3 | Confident | 85 Ų | 85 | 128.9 Ų | 128.9 | 52% | 0.521 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -63.4 | -39.2 | 173.7 | -48.7 | 0 | 0 | 0 | 0 | 112 | S138 Q140 | S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 VanDerWaalsContact O-N 3.1Å; S138-T142 PolarHBondContact O-OG1 3.42Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 2.66Å |
| 143 | L | 79.6 | Confident | 70.7 | Confident | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.8 | -40.9 | 177.7 | -141.2 | 80.6 | 0 | 0 | 0 | 112 | K139 Q140 A141 | K139-L143 PolarHBondContact O-N 2.82Å; Q140-L143 PolarHBondContact O-N 3.14Å; A141-L143 VanDerWaalsContact C-N 3.34Å |
| 144 | L | 82.2 | Confident | 70.8 | Confident | 99 Ų | 99 | 129.9 Ų | 129.9 | 52% | 0.518 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -73.2 | -30.5 | 178.1 | -84.4 | 85.9 | 0 | 0 | 0 | 113.1 | Q140 A141 G146 A147 | Q140-L144 HydrophobicContact CG-CD1 3.87Å; Q140-L144 WeakPolarHBondContact O-CD1 2.93Å; Q140-L144 PolarHBondContact O-N 3.1Å; A141-L144 PolarHBondContact O-N 3.25Å; L144-G146 PolarHBondContact O-N 2.92Å; L144-A147 PolarHBondContact O-N 3.16Å; L144-A147 VanDerWaalsContact O-N 3.12Å |
| 145 | A | 75.4 | Confident | 70.8 | Confident | 72 Ų | 72 | 132 Ų | 132 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -61.7 | -28.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | A141 | A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å |
| 146 | G | 72 | Confident | 70.4 | Confident | 53 Ų | 53 | 131.7 Ų | 131.7 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -85.2 | -21.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L144 | L144-G146 PolarHBondContact O-N 2.92Å |
| 147 | A | 74.7 | Confident | 70.1 | Confident | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.4 | -27.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L144 | L144-A147 PolarHBondContact O-N 3.16Å; L144-A147 VanDerWaalsContact O-N 3.12Å |
| 148 | I | 70.3 | Confident | 68.8 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 64% | 0.641 | 71% | 0.706 | S | S | * | * | trans | -106.6 | 77 | -179.1 | -50.2 | 177.8 | 0 | 0 | 0 | 109.8 | R150 | I148-R150 HydrophobicContact CG2-CG 4.09Å; I148-R150 PolarHBondContact O-N 3.01Å; I148-R150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | R | 71 | Confident | 67.5 | Low | 229 Ų | 229 | 138.6 Ų | 138.6 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 91.2 | 167.3 | -67.2 | -179.5 | 68.9 | -151.1 | 2.5 | 109.1 | K151 | R149-K151 PolarHBondContact O-N 3.2Å; R149-K151 VanDerWaalsContact O-N 3.07Å | ||
| 150 | R | 71.8 | Confident | 65.8 | Low | 215 Ų | 215 | 136.3 Ų | 136.3 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 104.9 | 165.6 | -67.6 | -172.3 | -62.6 | 165.2 | 2.3 | 108.4 | I148 V152 | I148-R150 HydrophobicContact CG2-CG 4.09Å; I148-R150 PolarHBondContact O-N 3.01Å; I148-R150 VanDerWaalsContact O-N 3.15Å; R150-V152 PolarHBondContact O-N 3.15Å | ||
| 151 | K | 65.3 | Low | 64 | Low | 191 Ų | 191 | 138.7 Ų | 138.7 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -70 | 94 | 168.4 | -173.4 | 177.9 | 164.4 | -162.3 | 0 | 106.9 | R149 | R149-K151 PolarHBondContact O-N 3.2Å; R149-K151 VanDerWaalsContact O-N 3.07Å | ||
| 152 | V | 66.5 | Low | 62.2 | Low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -82.7 | 125.6 | 168.9 | -178.3 | 0 | 0 | 0 | 0 | 107 | R150 | R150-V152 PolarHBondContact O-N 3.15Š| ||
| 153 | D | 54.1 | Low | 60.7 | Low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | -61.2 | 148.2 | -177 | -66 | -61 | 0 | 0 | 0 | 113.3 | ||||
| 154 | G | 49.6 | Very low | 58.9 | Low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 96.4 | 83.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 155 | Q | 54.6 | Low | 57.1 | Low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | 170 | 121.7 | 116.2 | -92.7 | -179 | 11.8 | 0 | 0 | 109.6 | P157 | Q155-P157 WeakPolarHBondContact O-CD 3.39Š| |||
| 156 | K | 47.3 | Very low | 55.4 | Low | 206 Ų | 206 | 143.7 Ų | 143.7 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -64.2 | 133.1 | 173.1 | -61 | 171.2 | 177.8 | -179.1 | 0 | 109.6 | ||||
| 157 | P | 58.2 | Low | 54.2 | Low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -102.6 | 105.5 | 149 | 31.3 | -21.8 | 0 | 0 | 0 | 108.6 | Q155 R159 | Q155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-R159 PolarHBondContact O-N 2.75Å | ||
| 158 | V | 43.2 | Very low | 52.5 | Low | 129 Ų | 129 | 152.3 Ų | 152.3 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 118.5 | 155.3 | -113.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 159 | R | 56.1 | Low | 51.5 | Low | 242 Ų | 242 | 154.2 Ų | 154.2 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -150.2 | 106.5 | 153.3 | -133 | 175.1 | -179 | -176 | -0.7 | 111.1 | P157 | P157-R159 PolarHBondContact O-N 2.75Š| ||
| 160 | N | 44.1 | Very low | 50.3 | Low | 146 Ų | 146 | 148.1 Ų | 148.1 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -54.9 | 138.4 | 166.4 | -44.3 | -32.5 | 0 | 0 | 0 | 109.3 | ||||
| 161 | K | 46.5 | Very low | 48.8 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | 168.8 | 121.2 | 123.4 | -162.2 | 107.7 | 178.1 | 174.2 | 0 | 110.8 | |||||
| 162 | S | 42.9 | Very low | 48 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 44.6 | 114.3 | 143.1 | 65.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 163 | S | 50 | Low | 46.9 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 158.5 | 94.6 | 114.4 | 47 | 0 | 0 | 0 | 0 | 108.2 | A165 | S163-A165 VanDerWaalsContact C-N 3.32Å; S163-A165 PolarHBondContact O-N 3.09Å | |||
| 164 | V | 40.7 | Very low | 46.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 96.2 | 159.7 | 171.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 165 | A | 44.9 | Very low | 46.4 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -83.9 | 107.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S163 | S163-A165 VanDerWaalsContact C-N 3.32Å; S163-A165 PolarHBondContact O-N 3.09Å | ||
| 166 | T | 38.9 | Very low | 46.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 117.8 | 159.4 | -57.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 167 | E | 47.8 | Very low | 46 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -141.3 | 106.5 | 162.9 | -68.4 | -168.8 | 170.1 | 0 | 0 | 105.5 | ||||
| 168 | E | 39.6 | Very low | 45.5 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | 82.3 | 144.5 | 69.5 | -70.5 | -108.5 | 156.7 | 0 | 0 | 112.8 | |||||
| 169 | H | 48.9 | Very low | 45.9 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 86.7 | 125.6 | 170.9 | -39.7 | -60 | 0 | 0 | 0 | 115.6 | ||||
| 170 | A | 44.8 | Very low | 45.3 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | cis | -159.1 | 151.4 | 23.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | S | 40 | Very low | 45.4 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -70.5 | 148.9 | 175.1 | -36.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 172 | A | 49.3 | Very low | 44.8 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 177.9 | 105.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 173 | S | 42.6 | Very low | 45.4 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | 53.3 | 110.7 | 77.6 | 69.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 174 | I | 53.4 | Low | 45.3 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 161.1 | 102.1 | 144 | -87.3 | 156.2 | 0 | 0 | 0 | 108.3 | ||||
| 175 | S | 40.6 | Very low | 45.6 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | 49.6 | 113.7 | 94.6 | -80.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 176 | T | 50.7 | Low | 45.6 | Very low | 146 Ų | 146 | 132 Ų | 132 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | -178.1 | 149.3 | 125.5 | 28 | 0 | 0 | 0 | 0 | 112 | |||||
| 177 | D | 43.6 | Very low | 46.5 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -62.9 | 155.2 | -163.1 | -58.2 | -86.4 | 0 | 0 | 0 | 118.5 | ||||
| 178 | G | 46.1 | Very low | 46.3 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -179.5 | 35.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 179 | K | 52.1 | Low | 46.9 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 43.2 | 134.3 | 144.2 | -167.5 | 146 | 175.4 | 173.2 | 0 | 122.8 | ||||
| 180 | T | 43.9 | Very low | 46.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 99.4 | 125.9 | 162.2 | 65.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 181 | S | 45.5 | Very low | 46.7 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | cis | -162.5 | 115.9 | 3.7 | 171.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 182 | C | 35.3 | Very low | 46.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -100.9 | 129.6 | 169.7 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 183 | N | 55.7 | Low | 46.7 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -104.9 | 105 | 164.4 | -73.5 | -28.6 | 0 | 0 | 0 | 109.1 | ||||
| 184 | E | 46.8 | Very low | 47 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -73 | -173.4 | 164.2 | -105.9 | -136.4 | 134.5 | 0 | 0 | 111.6 | ||||
| 185 | P | 47.9 | Very low | 46.7 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 55% | 0.545 | 79% | 0.791 | S | S | . | * | -136.1 | 179.7 | -55.3 | 38.9 | -20.1 | 0 | 0 | 0 | 111.9 | |||||
| 186 | V | 43.5 | Very low | 47.2 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -52.4 | 134.1 | 170.6 | -150.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 187 | K | 59.2 | Low | 47.1 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -116.5 | 115.4 | 163.5 | -73.7 | -173.6 | -178.4 | -179.9 | 0 | 109.9 | ||||
| 188 | D | 43.4 | Very low | 47.2 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 160.6 | 170.8 | -130.3 | -22.9 | 0 | 0 | 0 | 110.4 | ||||
| 189 | L | 51.2 | Low | 47.4 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 90.4 | 126.7 | 156.2 | -61 | 156 | 0 | 0 | 0 | 121.9 | ||||
| 190 | Q | 47.4 | Very low | 47.5 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 80.7 | 107.3 | 144.4 | -71.9 | 169.2 | 13.3 | 0 | 0 | 117.9 | ||||
| 191 | A | 41.8 | Very low | 47.8 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 88.2 | 121.6 | 69.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 192 | G | 40.8 | Very low | 48.2 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 90 | 145.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 193 | S | 48.9 | Very low | 49.1 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | cis | 178.3 | 128.2 | 0.8 | 156.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 194 | H | 50.1 | Low | 48.8 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 42.9 | 107.8 | 148.6 | -52.9 | -56 | 0 | 0 | 0 | 119.5 | ||||
| 195 | H | 45.9 | Very low | 49.3 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | -142.9 | 114.4 | 129 | -117.3 | 57.6 | 0 | 0 | 0 | 111.2 | |||||
| 196 | K | 51.1 | Low | 49.8 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 151.4 | 158.3 | -65.7 | -174.5 | 175.7 | -172.5 | 0 | 107.4 | ||||
| 197 | H | 49.1 | Very low | 50.3 | Low | 167 Ų | 167 | 142 Ų | 142 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 144.2 | 130.6 | 110.4 | -53.1 | -71.7 | 0 | 0 | 0 | 100.7 | |||||
| 198 | S | 46.1 | Very low | 50.4 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | cis | -175.5 | 135.4 | 41.6 | -174.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 199 | S | 50.8 | Low | 51.4 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -81.7 | -169.7 | 162 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 200 | P | 53.6 | Low | 51.1 | Low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -130.7 | 158.9 | -69.4 | 36.4 | -21.5 | 0 | 0 | 0 | 111.1 | |||||
| 201 | E | 49.9 | Very low | 51.6 | Low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -139 | 139.3 | 156.4 | -88.2 | -159.9 | 124.3 | 0 | 0 | 112.9 | ||||
| 202 | K | 53.2 | Low | 52.1 | Low | 198 Ų | 198 | 137.6 Ų | 137.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -83 | 136.3 | -174.5 | -60 | 171.7 | 176.1 | -178.5 | 0 | 108.8 | ||||
| 203 | T | 55 | Low | 52.9 | Low | 137 Ų | 137 | 139.8 Ų | 139.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -134.5 | 100.9 | 155.8 | 52.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 204 | D | 49.8 | Very low | 53.3 | Low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 123.6 | 154.3 | -88.5 | -46.3 | 0 | 0 | 0 | 108.2 | ||||
| 205 | S | 57.3 | Low | 53.3 | Low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -161.6 | 106.4 | 155.6 | -79.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 206 | S | 57.8 | Low | 53.6 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 26.3 | 123.4 | 138.7 | 68.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 207 | S | 54.5 | Low | 53.6 | Low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 161.1 | 109.7 | 103.6 | -162.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 208 | V | 60.8 | Low | 53.7 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -79.6 | 132.3 | 165.3 | -100.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 209 | P | 65 | Low | 54 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -109.2 | 111.5 | 143.3 | 30.9 | -23.8 | 0 | 0 | 0 | 109.4 | S211 | P209-S211 PolarHBondContact O-N 2.89Š| ||
| 210 | S | 43.5 | Very low | 54.8 | Low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -64.3 | 116.4 | 158 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 211 | S | 59.3 | Low | 55 | Low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -137.5 | 104.9 | 162 | 60.7 | 0 | 0 | 0 | 0 | 108.6 | P209 | P209-S211 PolarHBondContact O-N 2.89Š| ||
| 212 | E | 52 | Low | 55 | Low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -52.8 | 130.7 | 166.3 | -57.3 | 164.9 | 138 | 0 | 0 | 109.1 | ||||
| 213 | D | 57.3 | Low | 55.2 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -151.9 | 122.7 | 160.1 | -142.9 | -3.2 | 0 | 0 | 0 | 111.7 | ||||
| 214 | K | 56.5 | Low | 55 | Low | 173 Ų | 173 | 143.6 Ų | 143.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 75.7 | 78.2 | 157.9 | -69 | 143.5 | -173.6 | 156.8 | 0 | 119 | ||||
| 215 | S | 50.4 | Low | 55.2 | Low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -56 | 159.7 | 130 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 216 | D | 52.4 | Low | 54.8 | Low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 94.2 | 60.7 | 174.1 | -60 | -18.6 | 0 | 0 | 0 | 117.3 | Q218 | D216-Q218 VanDerWaalsContact C-N 3.34Å; D216-Q218 PolarHBondContact O-N 2.58Å | ||
| 217 | L | 51.3 | Low | 54.8 | Low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -86.9 | 87.5 | 142.2 | -76.9 | 176.2 | 0 | 0 | 0 | 108.9 | F219 | L217-F219 PolarHBondContact O-N 3.07Š| ||
| 218 | Q | 51.9 | Low | 54.4 | Low | 171 Ų | 171 | 146.5 Ų | 146.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 111.2 | 170.9 | -168.4 | 164 | 0.9 | 0 | 0 | 109.2 | D216 P220 | D216-Q218 VanDerWaalsContact C-N 3.34Å; D216-Q218 PolarHBondContact O-N 2.58Å; Q218-P220 VanDerWaalsContact O-CD 3.31Å; Q218-P220 WeakPolarHBondContact O-CD 3.11Å | ||
| 219 | F | 51.1 | Low | 54.1 | Low | 183 Ų | 183 | 144.8 Ų | 144.8 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | trans | -59.6 | 121.4 | 164.5 | -77.1 | -93.5 | 0 | 0 | 0 | 109.3 | L217 Y221 | L217-F219 PolarHBondContact O-N 3.07Å; F219-Y221 PolarHBondContact O-N 2.87Å | ||
| 220 | P | 68.9 | Low | 53.3 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -82.4 | 105.2 | 159.4 | 30.6 | -24.1 | 0 | 0 | 0 | 107.4 | Q218 S222 | Q218-P220 VanDerWaalsContact O-CD 3.31Å; Q218-P220 WeakPolarHBondContact O-CD 3.11Å; P220-S222 PolarHBondContact O-N 2.75Å | ||
| 221 | Y | 56.3 | Low | 54.1 | Low | 213 Ų | 213 | 149.6 Ų | 149.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -50.7 | 130.8 | 162 | -99.2 | -96.8 | 0 | 0 | 0 | 109.6 | F219 N223 | F219-Y221 PolarHBondContact O-N 2.87Å; Y221-N223 PolarHBondContact O-N 3.24Å; Y221-N223 VanDerWaalsContact O-N 3.1Å | ||
| 222 | S | 50.5 | Low | 53.9 | Low | 113 Ų | 113 | 151.7 Ų | 151.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -52.8 | 106.3 | 173.4 | -161.3 | 0 | 0 | 0 | 0 | 110.8 | P220 | P220-S222 PolarHBondContact O-N 2.75Š| ||
| 223 | N | 57.9 | Low | 53.9 | Low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -114.1 | 86.8 | 165.8 | -83.7 | -25.3 | 0 | 0 | 0 | 107.8 | Y221 A225 | Y221-N223 PolarHBondContact O-N 3.24Å; Y221-N223 VanDerWaalsContact O-N 3.1Å; N223-A225 PolarHBondContact O-N 2.89Å | ||
| 224 | H | 49.7 | Very low | 53.9 | Low | 186 Ų | 186 | 155.6 Ų | 155.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 82.3 | 165.2 | -173.2 | -68 | 0 | 0 | 0 | 107.9 | ||||
| 225 | A | 55 | Low | 53.5 | Low | 77 Ų | 77 | 150.8 Ų | 150.8 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -113.6 | 118 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N223 | N223-A225 PolarHBondContact O-N 2.89Š| ||
| 226 | D | 48 | Very low | 53.9 | Low | 149 Ų | 149 | 158.2 Ų | 158.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 30.4 | 107.5 | 150.8 | -57 | -52.2 | 0 | 0 | 0 | 119.7 | ||||
| 227 | V | 57.8 | Low | 54.5 | Low | 138 Ų | 138 | 160.7 Ų | 160.7 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -125.1 | 103.3 | 144.1 | 161.4 | 0 | 0 | 0 | 0 | 108.3 | S229 | V227-S229 PolarHBondContact O-N 3.21Š| ||
| 228 | E | 47.1 | Very low | 55.1 | Low | 192 Ų | 192 | 163.7 Ų | 163.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -55.4 | 119.9 | 154.6 | -75 | 174.6 | 105.5 | 0 | 0 | 109.2 | ||||
| 229 | S | 53.8 | Low | 56 | Low | 104 Ų | 104 | 161.4 Ų | 161.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -134.6 | 85.2 | 151.9 | -152.1 | 0 | 0 | 0 | 0 | 109.5 | V227 R231 | V227-S229 PolarHBondContact O-N 3.21Å; S229-R231 PolarHBondContact O-N 2.79Å | ||
| 230 | S | 49.2 | Very low | 56.6 | Low | 96 Ų | 96 | 160.7 Ų | 160.7 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | trans | -38.3 | 119.8 | 156.8 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 231 | R | 59.4 | Low | 56.6 | Low | 236 Ų | 236 | 163.9 Ų | 163.9 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -156.1 | 80.2 | 155.5 | -105.9 | 160.4 | -166 | -167.6 | 5 | 110.6 | S229 D233 | S229-R231 PolarHBondContact O-N 2.79Å; R231-D233 PolarHBondContact O-N 2.59Å | ||
| 232 | N | 55.2 | Low | 57.4 | Low | 153 Ų | 153 | 159.3 Ų | 159.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -0.9 | 98.3 | 152.4 | -59.9 | 3.8 | 0 | 0 | 0 | 116.6 | ||||
| 233 | D | 52.9 | Low | 58 | Low | 145 Ų | 145 | 162.5 Ų | 162.5 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | -112.8 | 105.6 | 153.6 | -177.3 | 39.6 | 0 | 0 | 0 | 107.3 | R231 | R231-D233 PolarHBondContact O-N 2.59Š| ||
| 234 | R | 55.7 | Low | 57.9 | Low | 246 Ų | 246 | 159.4 Ų | 159.4 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 161.5 | 105.4 | 161.2 | -87.8 | 153.9 | -160.1 | -171.1 | 7.2 | 109.4 | ||
| 235 | G | 49.8 | Very low | 58.7 | Low | 73 Ų | 73 | 158 Ų | 158 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 106.3 | 61.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | K237 | G235-K237 VanDerWaalsContact C-N 3.34Å; G235-K237 PolarHBondContact O-N 2.69Å; G235-K237 VanDerWaalsContact O-N 3.11Å | ||
| 236 | R | 58.8 | Low | 59.3 | Low | 259 Ų | 259 | 159.8 Ų | 159.8 | 98% | 0.977 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 93.3 | 152.8 | -80 | -168 | 179.2 | -130.4 | 1.5 | 109.2 | R238 | R236-R238 PolarHBondContact O-N 2.81Š| ||
| 237 | K | 64 | Low | 60.2 | Low | 192 Ų | 192 | 158.8 Ų | 158.8 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 128.7 | 159 | -73.9 | -90.8 | -176 | 172.1 | 0 | 108.5 | G235 P239 | G235-K237 VanDerWaalsContact C-N 3.34Å; G235-K237 PolarHBondContact O-N 2.69Å; G235-K237 VanDerWaalsContact O-N 3.11Å; K237-P239 VanDerWaalsContact O-CD 3.32Å; K237-P239 WeakPolarHBondContact O-CD 3.5Å |
| 238 | R | 64.6 | Low | 60.7 | Low | 237 Ų | 237 | 161.1 Ų | 161.1 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.4 | 170.7 | -141.6 | -179.5 | -71 | -168.4 | -2.9 | 109.4 | R236 | R236-R238 PolarHBondContact O-N 2.81Š|
| 239 | P | 70.1 | Confident | 62 | Low | 122 Ų | 122 | 156.2 Ų | 156.2 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.8 | 165.5 | -20.3 | 35.2 | 0 | 0 | 0 | 110.1 | K237 | K237-P239 VanDerWaalsContact O-CD 3.32Å; K237-P239 WeakPolarHBondContact O-CD 3.5Å |
| 240 | L | 63.3 | Low | 62.7 | Low | 168 Ų | 168 | 157.1 Ų | 157.1 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127.8 | 177.1 | -72 | 151.2 | 0 | 0 | 0 | 109.3 | P242 | L240-P242 WeakPolarHBondContact O-CD 3.38Š|
| 241 | E | 70.3 | Confident | 63.6 | Low | 189 Ų | 189 | 162.6 Ų | 162.6 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 126.8 | 164.5 | -69.5 | -92.2 | 129.4 | 0 | 0 | 109.1 | ||
| 242 | P | 72.7 | Confident | 63.9 | Low | 117 Ų | 117 | 166.7 Ų | 166.7 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 118 | 162 | 31.2 | -26.7 | 0 | 0 | 0 | 111.6 | L240 | L240-P242 WeakPolarHBondContact O-CD 3.38Š|
| 243 | E | 62.8 | Low | 64.4 | Low | 180 Ų | 180 | 167.4 Ų | 167.4 | 84% | 0.841 | 84% | 0.842 | S | S | * | * | trans | 23.4 | 119.9 | 138.8 | -92 | -178 | 144.8 | 0 | 0 | 120.6 | ||||
| 244 | S | 55.2 | Low | 65 | Low | 88 Ų | 88 | 168.5 Ų | 168.5 | 62% | 0.615 | 85% | 0.845 | S | S | * | * | 35.4 | 122.1 | 126.3 | 53.2 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 245 | D | 67.9 | Low | 65.5 | Low | 156 Ų | 156 | 164.2 Ų | 164.2 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | -163.1 | 141 | 115.5 | -91.7 | -27.1 | 0 | 0 | 0 | 111.8 | |||||
| 246 | P | 66 | Low | 66.4 | Low | 116 Ų | 116 | 169.6 Ų | 169.6 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | trans | -102.1 | 130.6 | -177.2 | 36 | -26.8 | 0 | 0 | 0 | 112 | ||||
| 247 | V | 67 | Low | 66.9 | Low | 127 Ų | 127 | 164 Ų | 164 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | trans | -141.3 | 105.8 | 168.3 | -176 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 248 | E | 69.3 | Low | 67.1 | Low | 188 Ų | 188 | 162.1 Ų | 162.1 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | 80.5 | 131.2 | 132.9 | -150.8 | 167.4 | -178 | 0 | 0 | 121 | ||||
| 249 | A | 73.6 | Confident | 67.2 | Low | 89 Ų | 89 | 156.8 Ų | 156.8 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | trans | -90.3 | -177.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 250 | P | 68.8 | Low | 67 | Low | 123 Ų | 123 | 159.5 Ų | 159.5 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | trans | -100.2 | 160.8 | -141.9 | 40.1 | -38.4 | 0 | 0 | 0 | 115.6 | ||||
| 251 | K | 69.1 | Low | 67.3 | Low | 210 Ų | 210 | 158.8 Ų | 158.8 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -114 | 100.8 | 163.5 | -84.6 | 177.9 | 176.9 | 171.7 | 0 | 110.5 | ||||
| 252 | R | 65.4 | Low | 67.1 | Low | 322 Ų | 322 | 156 Ų | 156 | 100% | 1.215 | 83% | 0.829 | S | S | * | * | trans | 178.1 | 0 | 131 | -103.1 | -179 | 174.8 | -167.2 | -1.2 | 110.9 |
Retrieved 252 of 252 residues in 153.2 ms
(Link to these results)