| 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 | 46.2 | Very low | 64.7 | Low | 241 Ų | 241 | 143 Ų | 143 | 100% | 1.187 | 73% | 0.729 | S | S | * | * | 0 | 102 | 0 | -161.3 | 171.5 | 166.6 | 0 | 0 | 105.9 | |||||
| 2 | F | 46.1 | Very low | 66.4 | Low | 203 Ų | 203 | 134.1 Ų | 134.1 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -94.3 | 124.7 | -173.5 | -80 | -80.9 | 0 | 0 | 0 | 109.8 | T4 | F2-T4 PolarHBondContact O-N 2.59Š| ||
| 3 | D | 55.1 | Low | 67.8 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -74.1 | 112.9 | -177.7 | -168.9 | -6.8 | 0 | 0 | 0 | 110.3 | T5 | D3-T5 VanDerWaalsContact C-N 3.26Å; D3-T5 PolarHBondContact O-N 3.41Å; D3-T5 WeakPolarHBondContact OD1-CB 3.34Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.42Å | ||
| 4 | T | 62 | Low | 69.2 | Low | 102 Ų | 102 | 129.2 Ų | 129.2 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | trans | -87 | 14.7 | -177.3 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | F2 K6 H7 | F2-T4 PolarHBondContact O-N 2.59Å; T4-K6 PolarHBondContact O-N 3.1Å; T4-H7 PolarHBondContact O-CD2 3.3Å; T4-H7 PolarHBondContact O-NE2 3.32Å; T4-H7 VanDerWaalsContact O-NE2 3.1Å | ||
| 5 | T | 62.6 | Low | 70.6 | Confident | 111 Ų | 111 | 131.9 Ų | 131.9 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -95.1 | 26.1 | -166.8 | -31.7 | 0 | 0 | 0 | 0 | 114.3 | D3 | D3-T5 VanDerWaalsContact C-N 3.26Å; D3-T5 PolarHBondContact O-N 3.41Å; D3-T5 WeakPolarHBondContact OD1-CB 3.34Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.42Å | ||
| 6 | K | 62.2 | Low | 71.8 | Confident | 200 Ų | 200 | 132.3 Ų | 132.3 | 87% | 0.87 | 65% | 0.652 | S | S | * | * | trans | -138.4 | 69.5 | 173.3 | -72.8 | -169.1 | -179.8 | 178.7 | 0 | 112.1 | T4 | T4-K6 PolarHBondContact O-N 3.1Š| ||
| 7 | H | 66.4 | Low | 73 | Confident | 135 Ų | 135 | 129.2 Ų | 129.2 | 63% | 0.625 | 64% | 0.64 | S | S | * | * | trans | -101.8 | 104.7 | 170.9 | -63 | -52.9 | 0 | 0 | 0 | 109.3 | T4 | T4-H7 PolarHBondContact O-CD2 3.3Å; T4-H7 PolarHBondContact O-NE2 3.32Å; T4-H7 VanDerWaalsContact O-NE2 3.1Å | ||
| 8 | F | 65.5 | Low | 74.2 | Confident | 159 Ų | 159 | 127.9 Ų | 127.9 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 74.3 | 133.5 | -179.3 | -50.3 | -76.1 | 0 | 0 | 0 | 115.7 | I13 | F8-I13 HydrophobicContact CB-CD1 4.29Å; F8-I13 HydrophobicContact CB-CG1 3.97Å |
| 9 | S | 81.1 | Confident | 75.1 | Confident | 80 Ų | 80 | 127.7 Ų | 127.7 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | trans | -65.2 | 144.3 | 169.2 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | G11 A12 I13 | S9-G11 PolarHBondContact O-N 3.42Å; S9-G11 VanDerWaalsContact O-N 3.14Å; S9-A12 WeakPolarHBondContact O-CA 3.45Å; S9-A12 WeakPolarHBondContact O-CB 3.45Å; S9-A12 PolarHBondContact O-N 3.3Å; S9-I13 PolarHBondContact O-N 2.93Å | ||
| 10 | E | 79.7 | Confident | 76.1 | Confident | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -55.8 | -34.3 | -178.7 | -162.4 | 160.5 | -171 | 0 | 0 | 112 | A12 I13 Q14 | E10-A12 PolarHBondContact O-N 3.22Å; E10-I13 PolarHBondContact O-N 3.14Å; E10-Q14 WeakPolarHBondContact O-CB 3.34Å; E10-Q14 PolarHBondContact O-N 2.82Å |
| 11 | G | 84.9 | Confident | 77 | Confident | 33 Ų | 33 | 128.2 Ų | 128.2 | 34% | 0.34 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -24.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S9 R15 | S9-G11 PolarHBondContact O-N 3.42Å; S9-G11 VanDerWaalsContact O-N 3.14Å; G11-R15 WeakPolarHBondContact O-CG 3.49Å; G11-R15 PolarHBondContact O-N 2.97Å; G11-R15 PolarHBondContact O-NE 3.38Å |
| 12 | A | 85.1 | Confident | 79.4 | Confident | 36 Ų | 36 | 123.2 Ų | 123.2 | 30% | 0.298 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.7 | -38.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S9 E10 R15 R16 | S9-A12 WeakPolarHBondContact O-CA 3.45Å; S9-A12 WeakPolarHBondContact O-CB 3.45Å; S9-A12 PolarHBondContact O-N 3.3Å; E10-A12 PolarHBondContact O-N 3.22Å; A12-R15 PolarHBondContact O-N 3.45Å; A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 PolarHBondContact O-N 3.38Å |
| 13 | I | 84.3 | Confident | 81.7 | Confident | 78 Ų | 78 | 119.1 Ų | 119.1 | 40% | 0.4 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.1 | -44.2 | 174.3 | -61.7 | 172.4 | 0 | 0 | 0 | 109.9 | F8 S9 E10 R15 R16 N17 | F8-I13 HydrophobicContact CB-CD1 4.29Å; F8-I13 HydrophobicContact CB-CG1 3.97Å; S9-I13 PolarHBondContact O-N 2.93Å; E10-I13 PolarHBondContact O-N 3.14Å; I13-R15 PolarHBondContact O-N 3.29Å; I13-R16 PolarHBondContact O-N 3.49Å; I13-N17 WeakPolarHBondContact O-CB 3.36Å; I13-N17 VanDerWaalsContact O-CG 3.28Å; I13-N17 PolarHBondContact O-N 2.92Å |
| 14 | Q | 88.2 | Confident | 83.5 | Confident | 122 Ų | 122 | 117.9 Ų | 117.9 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -42.1 | 179.1 | -159.6 | 175 | 16.1 | 0 | 0 | 112.3 | E10 N17 Q18 | E10-Q14 WeakPolarHBondContact O-CB 3.34Å; E10-Q14 PolarHBondContact O-N 2.82Å; Q14-N17 PolarHBondContact O-N 3.31Å; Q14-Q18 WeakPolarHBondContact O-CG 3.34Å; Q14-Q18 PolarHBondContact O-N 3.36Å |
| 15 | R | 89.1 | Confident | 85.1 | Confident | 169 Ų | 169 | 119.4 Ų | 119.4 | 64% | 0.638 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.7 | -46.2 | 173.3 | -81.8 | -174.3 | -100.9 | -177.6 | -10 | 112.5 | G11 A12 I13 N17 Q18 E19 | G11-R15 WeakPolarHBondContact O-CG 3.49Å; G11-R15 PolarHBondContact O-N 2.97Å; G11-R15 PolarHBondContact O-NE 3.38Å; A12-R15 PolarHBondContact O-N 3.45Å; I13-R15 PolarHBondContact O-N 3.29Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.06Å; R15-Q18 PolarHBondContact O-N 2.96Å; R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.23Å |
| 16 | R | 90.7 | Very high | 86.6 | Confident | 138 Ų | 138 | 118.5 Ų | 118.5 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.3 | -38.4 | 176.5 | -173.3 | 179.5 | -174.3 | 158.2 | 3.6 | 112.4 | A12 I13 E19 R20 | A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 PolarHBondContact O-N 3.38Å; I13-R16 PolarHBondContact O-N 3.49Å; R16-E19 PolarHBondContact O-N 3.21Å; R16-R20 WeakPolarHBondContact O-CG 3.48Å; R16-R20 PolarHBondContact O-N 3.48Å |
| 17 | N | 91.6 | Very high | 88 | Confident | 81 Ų | 81 | 114 Ų | 114 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.4 | -72.5 | -14.7 | 0 | 0 | 0 | 111.7 | I13 Q14 R15 R20 L21 | I13-N17 WeakPolarHBondContact O-CB 3.36Å; I13-N17 VanDerWaalsContact O-CG 3.28Å; I13-N17 PolarHBondContact O-N 2.92Å; Q14-N17 PolarHBondContact O-N 3.31Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.06Å; N17-R20 PolarHBondContact O-N 2.98Å; N17-L21 PolarHBondContact O-N 3.32Å |
| 18 | Q | 94.2 | Very high | 89.3 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 173.3 | -71.6 | 174.3 | 2.2 | 0 | 0 | 112.1 | Q14 R15 L21 K22 | Q14-Q18 WeakPolarHBondContact O-CG 3.34Å; Q14-Q18 PolarHBondContact O-N 3.36Å; R15-Q18 PolarHBondContact O-N 2.96Å; Q18-L21 PolarHBondContact O-N 3.33Å; Q18-K22 WeakPolarHBondContact O-CG 3.47Å; Q18-K22 PolarHBondContact O-N 3.45Å |
| 19 | E | 92.4 | Very high | 90.6 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 174.4 | -74 | 174.5 | -175.9 | 0 | 0 | 112.1 | R15 R16 L21 K22 L23 | R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.23Å; R16-E19 PolarHBondContact O-N 3.21Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.93Å; E19-K22 PolarHBondContact O-N 3.05Å; E19-L23 WeakPolarHBondContact O-CG 3.4Å; E19-L23 PolarHBondContact O-N 3.36Å |
| 20 | R | 94.1 | Very high | 91.2 | Very high | 145 Ų | 145 | 115.4 Ų | 115.4 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.6 | -78.9 | 176.4 | 167.9 | -173.3 | -4.1 | 112.1 | R16 N17 L23 Q24 | R16-R20 WeakPolarHBondContact O-CG 3.48Å; R16-R20 PolarHBondContact O-N 3.48Å; N17-R20 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 3.1Å; R20-Q24 WeakPolarHBondContact O-CB 3.18Å; R20-Q24 PolarHBondContact O-N 3.28Å |
| 21 | L | 95.5 | Very high | 91.9 | Very high | 122 Ų | 122 | 112.6 Ų | 112.6 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 179 | -149.5 | 108.3 | 0 | 0 | 0 | 111.3 | N17 Q18 E19 L23 Q24 E25 | N17-L21 PolarHBondContact O-N 3.32Å; Q18-L21 PolarHBondContact O-N 3.33Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.93Å; L21-L23 PolarHBondContact O-N 3.46Å; L21-Q24 PolarHBondContact O-N 3.34Å; L21-E25 PolarHBondContact O-N 3.49Å |
| 22 | K | 95.8 | Very high | 92.4 | Very high | 136 Ų | 136 | 116.9 Ų | 116.9 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 175.7 | -73.1 | 176.9 | 179.4 | 179.6 | 0 | 112.7 | Q18 E19 E25 L26 | Q18-K22 WeakPolarHBondContact O-CG 3.47Å; Q18-K22 PolarHBondContact O-N 3.45Å; E19-K22 PolarHBondContact O-N 3.05Å; K22-E25 PolarHBondContact O-N 2.94Å; K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 3.41Å; K22-L26 VanDerWaalsContact O-N 3.1Å |
| 23 | L | 94.8 | Very high | 92.7 | Very high | 116 Ų | 116 | 121.5 Ų | 121.5 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -39.5 | 176.4 | -73.8 | 173.5 | 0 | 0 | 0 | 111.9 | E19 R20 L21 L26 E27 | E19-L23 WeakPolarHBondContact O-CG 3.4Å; E19-L23 PolarHBondContact O-N 3.36Å; R20-L23 PolarHBondContact O-N 3.1Å; L21-L23 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 2.69Å; L23-E27 WeakPolarHBondContact O-CB 3.46Å; L23-E27 PolarHBondContact O-N 2.95Å |
| 24 | Q | 94.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 124.7 Ų | 124.7 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 176.4 | -173.9 | 176.6 | -13.3 | 0 | 0 | 111.4 | R20 L21 E27 E28 | R20-Q24 WeakPolarHBondContact O-CB 3.18Å; R20-Q24 PolarHBondContact O-N 3.28Å; L21-Q24 PolarHBondContact O-N 3.34Å; Q24-E27 PolarHBondContact O-N 3.48Å; Q24-E28 PolarHBondContact O-N 3.02Å |
| 25 | E | 94.1 | Very high | 93.4 | Very high | 134 Ų | 134 | 125.9 Ų | 125.9 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -45.4 | 175.9 | -170.6 | 174.4 | -166.9 | 0 | 0 | 112.1 | L21 K22 E27 E28 E29 | L21-E25 PolarHBondContact O-N 3.49Å; K22-E25 PolarHBondContact O-N 2.94Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.03Å; E25-E28 PolarHBondContact O-N 2.97Å; E25-E29 PolarHBondContact O-N 3.46Å |
| 26 | L | 93.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 126.5 Ų | 126.5 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -36.2 | 175.4 | -74.4 | 172.2 | 0 | 0 | 0 | 112.9 | K22 L23 E29 R30 | K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 3.41Å; K22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 2.69Å; L26-E29 PolarHBondContact O-N 2.92Å; L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.44Å |
| 27 | E | 91.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 126.8 Ų | 126.8 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 176 | -163.8 | -171.9 | 154.6 | 0 | 0 | 111.3 | L23 Q24 E25 K31 | L23-E27 WeakPolarHBondContact O-CB 3.46Å; L23-E27 PolarHBondContact O-N 2.95Å; Q24-E27 PolarHBondContact O-N 3.48Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.03Å; E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 2.99Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 2.87Å |
| 28 | E | 93.7 | Very high | 93.8 | Very high | 91 Ų | 91 | 129 Ų | 129 | 43% | 0.425 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 173.8 | -76 | -169.6 | -169 | 0 | 0 | 112.5 | Q24 E25 K31 K32 | Q24-E28 PolarHBondContact O-N 3.02Å; E25-E28 PolarHBondContact O-N 2.97Å; E28-K31 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 2.9Å |
| 29 | E | 93.7 | Very high | 93.7 | Very high | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -47.5 | 176.5 | -168 | 173.9 | -160.2 | 0 | 0 | 111.2 | E25 L26 K31 K32 E33 | E25-E29 PolarHBondContact O-N 3.46Å; L26-E29 PolarHBondContact O-N 2.92Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 VanDerWaalsContact O-N 3.11Å; E29-E33 PolarHBondContact O-N 3.24Å |
| 30 | R | 94.3 | Very high | 93.8 | Very high | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -38.6 | 174.1 | -74.2 | -176.3 | -178.6 | -166.2 | 1.6 | 112.5 | L26 K34 | L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.44Å; R30-K34 VanDerWaalsContact O-CB 3.29Å; R30-K34 WeakPolarHBondContact O-CB 3.5Å; R30-K34 PolarHBondContact O-N 3.47Å |
| 31 | K | 94.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 121 Ų | 121 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 175.4 | -78.8 | 173.9 | -175.5 | 164.7 | 0 | 111.5 | E27 E28 E29 K35 | E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 2.99Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 2.87Å; E28-K31 PolarHBondContact O-N 3.3Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.29Å; K31-K35 PolarHBondContact O-N 2.98Å; K31-K35 VanDerWaalsContact O-N 3.12Å |
| 32 | K | 93.7 | Very high | 93.6 | Very high | 122 Ų | 122 | 121.3 Ų | 121.3 | 53% | 0.53 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -42.5 | 177.2 | -72.7 | 169.5 | -171.9 | 165.7 | 0 | 111.4 | E28 E29 K35 R36 | E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 2.9Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 VanDerWaalsContact O-N 3.11Å; K32-K35 PolarHBondContact O-N 3.01Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.94Å; K32-R36 VanDerWaalsContact O-N 3.14Å |
| 33 | E | 92.5 | Very high | 93.4 | Very high | 133 Ų | 133 | 122.3 Ų | 122.3 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -48.1 | 176.1 | -174.1 | 175.1 | -150.3 | 0 | 0 | 111.6 | E29 K35 R36 E37 | E29-E33 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 2.65Å; E33-R36 WeakPolarHBondContact O-CB 3.32Å; E33-R36 PolarHBondContact O-N 2.92Å; E33-E37 PolarHBondContact O-N 2.88Å |
| 34 | K | 94 | Very high | 93.5 | Very high | 146 Ų | 146 | 123.1 Ų | 123.1 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.9 | -41 | 176.6 | -172.7 | 178 | -179.6 | -177.6 | 0 | 112.5 | R30 E37 E38 | R30-K34 VanDerWaalsContact O-CB 3.29Å; R30-K34 WeakPolarHBondContact O-CB 3.5Å; R30-K34 PolarHBondContact O-N 3.47Å; K34-E37 PolarHBondContact O-N 3.11Å; K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å |
| 35 | K | 93.4 | Very high | 93.4 | Very high | 147 Ų | 147 | 126.5 Ų | 126.5 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.5 | -40.5 | 175.9 | -76 | 177.6 | -179 | -174.1 | 0 | 112.5 | K31 K32 E33 E39 | K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.29Å; K31-K35 PolarHBondContact O-N 2.98Å; K31-K35 VanDerWaalsContact O-N 3.12Å; K32-K35 PolarHBondContact O-N 3.01Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 2.65Å; K35-E39 WeakPolarHBondContact O-CB 3.19Å; K35-E39 PolarHBondContact O-N 3.43Å |
| 36 | R | 93.1 | Very high | 93.4 | Very high | 182 Ų | 182 | 125.6 Ų | 125.6 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 177.1 | -69.9 | 174.9 | -178.6 | -173.8 | 1.6 | 111.4 | K32 E33 E39 V40 | K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.94Å; K32-R36 VanDerWaalsContact O-N 3.14Å; E33-R36 WeakPolarHBondContact O-CB 3.32Å; E33-R36 PolarHBondContact O-N 2.92Å; R36-E39 PolarHBondContact O-N 3.12Å; R36-V40 VanDerWaalsContact O-CG2 3.29Å; R36-V40 WeakPolarHBondContact O-CG2 3.47Å; R36-V40 PolarHBondContact O-N 2.96Å |
| 37 | E | 91.8 | Very high | 93.5 | Very high | 144 Ų | 144 | 124.9 Ų | 124.9 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -43.8 | 177.8 | -169.5 | -177.9 | -179.8 | 0 | 0 | 111.6 | E33 K34 V40 A41 | E33-E37 PolarHBondContact O-N 2.88Å; K34-E37 PolarHBondContact O-N 3.11Å; E37-V40 PolarHBondContact O-N 2.91Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.35Å |
| 38 | E | 93.5 | Very high | 93.6 | Very high | 128 Ų | 128 | 126.1 Ų | 126.1 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.9 | -44.7 | 176.6 | -175 | 169.8 | -164.8 | 0 | 0 | 112 | K34 V40 A41 E42 | K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å; E38-V40 VanDerWaalsContact C-N 3.34Å; E38-V40 PolarHBondContact O-N 3.2Å; E38-A41 PolarHBondContact O-N 2.86Å; E38-E42 WeakPolarHBondContact O-CB 3.44Å; E38-E42 PolarHBondContact O-N 2.9Å |
| 39 | E | 93.9 | Very high | 93.8 | Very high | 90 Ų | 90 | 126.4 Ų | 126.4 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | 176.3 | -172.3 | -174.9 | 169.6 | 0 | 0 | 111.8 | K35 R36 A41 E42 R43 | K35-E39 WeakPolarHBondContact O-CB 3.19Å; K35-E39 PolarHBondContact O-N 3.43Å; R36-E39 PolarHBondContact O-N 3.12Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-E42 PolarHBondContact O-N 3.31Å; E39-R43 VanDerWaalsContact O-CG 3.31Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.42Å; E39-R43 IonicContact OE1-CZ 3.1Å; E39-R43 VanDerWaalsContact OE1-CZ 3.27Å; E39-R43 IonicContact OE1-NE 3.81Å; E39-R43 PolarHBondContact OE1-NE 3.5Å; E39-R43 IonicContact OE1-NH2 3.9Å; E39-R43 PolarHBondContact OE1-NH2 2.95Å |
| 40 | V | 93.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 127.3 Ų | 127.3 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | R36 E37 E38 R43 K44 | R36-V40 VanDerWaalsContact O-CG2 3.29Å; R36-V40 WeakPolarHBondContact O-CG2 3.47Å; R36-V40 PolarHBondContact O-N 2.96Å; E37-V40 PolarHBondContact O-N 2.91Å; E38-V40 VanDerWaalsContact C-N 3.34Å; E38-V40 PolarHBondContact O-N 3.2Å; V40-R43 PolarHBondContact O-N 2.82Å; V40-K44 HydrophobicContact CG1-CD 4.4Å; V40-K44 WeakPolarHBondContact O-CG 3.36Å; V40-K44 PolarHBondContact O-N 2.9Å |
| 41 | A | 92.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 124.7 Ų | 124.7 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E37 E38 E39 K44 R45 | E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.35Å; E38-A41 PolarHBondContact O-N 2.86Å; E39-A41 VanDerWaalsContact C-N 3.35Å; A41-K44 PolarHBondContact O-N 2.82Å; A41-R45 WeakPolarHBondContact O-CG 3.41Å; A41-R45 PolarHBondContact O-N 3Å |
| 42 | E | 92.6 | Very high | 94 | Very high | 130 Ų | 130 | 122.2 Ų | 122.2 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -44.8 | 176.4 | -165.2 | -172.1 | 169.1 | 0 | 0 | 111.5 | E38 E39 K44 R45 K46 | E38-E42 WeakPolarHBondContact O-CB 3.44Å; E38-E42 PolarHBondContact O-N 2.9Å; E39-E42 PolarHBondContact O-N 3.31Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.97Å; E42-R45 PolarHBondContact O-N 2.87Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.14Å |
| 43 | R | 92.9 | Very high | 94 | Very high | 157 Ų | 157 | 121.6 Ų | 121.6 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.8 | -44.6 | 174.7 | -71.7 | 176 | -176.7 | -156.3 | 2.8 | 111.4 | E39 V40 R45 K46 D47 | E39-R43 VanDerWaalsContact O-CG 3.31Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.42Å; E39-R43 IonicContact OE1-CZ 3.1Å; E39-R43 VanDerWaalsContact OE1-CZ 3.27Å; E39-R43 IonicContact OE1-NE 3.81Å; E39-R43 PolarHBondContact OE1-NE 3.5Å; E39-R43 IonicContact OE1-NH2 3.9Å; E39-R43 PolarHBondContact OE1-NH2 2.95Å; V40-R43 PolarHBondContact O-N 2.82Å; R43-R45 PolarHBondContact O-N 2.78Å; R43-K46 PolarHBondContact O-N 3.01Å; R43-D47 PolarHBondContact O-N 3.4Å |
| 44 | K | 95.1 | Very high | 94.2 | Very high | 132 Ų | 132 | 121.6 Ų | 121.6 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.3 | -47.1 | 175.4 | -75 | 175.9 | -179.7 | 177.5 | 0 | 112 | V40 A41 E42 K46 D47 E48 | V40-K44 HydrophobicContact CG1-CD 4.4Å; V40-K44 WeakPolarHBondContact O-CG 3.36Å; V40-K44 PolarHBondContact O-N 2.9Å; A41-K44 PolarHBondContact O-N 2.82Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.97Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 3.05Å; K44-D47 PolarHBondContact O-N 3.28Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.83Å |
| 45 | R | 93.1 | Very high | 94.3 | Very high | 184 Ų | 184 | 122 Ų | 122 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.2 | -43.5 | 176.9 | -72.6 | 176.7 | -179 | -175 | 2.8 | 111.6 | A41 E42 R43 D47 E48 V49 | A41-R45 WeakPolarHBondContact O-CG 3.41Å; A41-R45 PolarHBondContact O-N 3Å; E42-R45 PolarHBondContact O-N 2.87Å; R43-R45 PolarHBondContact O-N 2.78Å; R45-D47 PolarHBondContact O-N 3.28Å; R45-E48 PolarHBondContact O-N 3.24Å; R45-V49 VanDerWaalsContact O-CG2 3.3Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 2.89Å |
| 46 | K | 95 | Very high | 94.4 | Very high | 115 Ų | 115 | 122.7 Ų | 122.7 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -40.6 | 179.4 | -166.7 | 172.2 | -173.8 | 170.7 | 0 | 112.1 | E42 R43 K44 V49 R50 | E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.14Å; R43-K46 PolarHBondContact O-N 3.01Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 3.05Å; K46-V49 PolarHBondContact O-N 3.27Å; K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3.13Å |
| 47 | D | 94.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 119.8 Ų | 119.8 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -38.1 | 177.2 | -74.8 | -17.7 | 0 | 0 | 0 | 112.4 | R43 K44 R45 R50 K51 | R43-D47 PolarHBondContact O-N 3.4Å; K44-D47 PolarHBondContact O-N 3.28Å; R45-D47 PolarHBondContact O-N 3.28Å; D47-R50 PolarHBondContact O-N 3.45Å; D47-K51 WeakPolarHBondContact O-CB 3.48Å; D47-K51 VanDerWaalsContact O-CG 3.31Å; D47-K51 WeakPolarHBondContact O-CG 3.29Å; D47-K51 PolarHBondContact O-N 3.18Å |
| 48 | E | 95.2 | Very high | 94.9 | Very high | 133 Ų | 133 | 118.6 Ų | 118.6 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 172.8 | -74.7 | 178.7 | -174.2 | 0 | 0 | 112.1 | K44 R45 K51 A52 | K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.83Å; R45-E48 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 2.82Å; E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.05Å |
| 49 | V | 95.9 | Very high | 95 | Very high | 96 Ų | 96 | 115.3 Ų | 115.3 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | R45 K46 A52 Q53 | R45-V49 VanDerWaalsContact O-CG2 3.3Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 2.89Å; K46-V49 PolarHBondContact O-N 3.27Å; V49-A52 PolarHBondContact O-N 2.66Å; V49-Q53 WeakPolarHBondContact O-CB 3.45Å; V49-Q53 PolarHBondContact O-N 3.38Å |
| 50 | R | 95.3 | Very high | 95.1 | Very high | 143 Ų | 143 | 117.2 Ų | 117.2 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.2 | -75.1 | 172.9 | 172.3 | -178.1 | -5.5 | 111.6 | K46 D47 A52 Q53 E54 | K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3.13Å; D47-R50 PolarHBondContact O-N 3.45Å; R50-A52 VanDerWaalsContact C-N 3.34Å; R50-A52 PolarHBondContact O-N 2.7Å; R50-Q53 PolarHBondContact O-N 2.83Å; R50-E54 PolarHBondContact O-N 3.33Å |
| 51 | K | 96.5 | Very high | 95.2 | Very high | 135 Ų | 135 | 118 Ų | 118 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 176.4 | -75.2 | 174.1 | -178.7 | 174 | 0 | 112 | D47 E48 E54 K55 | D47-K51 WeakPolarHBondContact O-CB 3.48Å; D47-K51 VanDerWaalsContact O-CG 3.31Å; D47-K51 WeakPolarHBondContact O-CG 3.29Å; D47-K51 PolarHBondContact O-N 3.18Å; E48-K51 PolarHBondContact O-N 2.82Å; K51-E54 PolarHBondContact O-N 3.19Å; K51-K55 WeakPolarHBondContact O-CG 2.97Å; K51-K55 PolarHBondContact O-N 3.47Å |
| 52 | A | 95.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 124.2 Ų | 124.2 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E48 V49 R50 K55 R56 | E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.05Å; V49-A52 PolarHBondContact O-N 2.66Å; R50-A52 VanDerWaalsContact C-N 3.34Å; R50-A52 PolarHBondContact O-N 2.7Å; A52-K55 PolarHBondContact O-N 3.05Å; A52-R56 PolarHBondContact O-N 2.98Å |
| 53 | Q | 94.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 126 Ų | 126 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -41.4 | 177 | -167.6 | -176.6 | 12.4 | 0 | 0 | 111.8 | V49 R50 R56 K57 | V49-Q53 WeakPolarHBondContact O-CB 3.45Å; V49-Q53 PolarHBondContact O-N 3.38Å; R50-Q53 PolarHBondContact O-N 2.83Å; Q53-R56 WeakPolarHBondContact O-CB 3.05Å; Q53-R56 PolarHBondContact O-N 3.43Å; Q53-K57 WeakPolarHBondContact O-CG 3.42Å; Q53-K57 PolarHBondContact O-N 2.65Å |
| 54 | E | 95.6 | Very high | 95.6 | Very high | 132 Ų | 132 | 127 Ų | 127 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -45.5 | 176.3 | -167.3 | -172.3 | 160.4 | 0 | 0 | 111.6 | R50 K51 R56 K57 K58 | R50-E54 PolarHBondContact O-N 3.33Å; K51-E54 PolarHBondContact O-N 3.19Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; E54-K57 PolarHBondContact O-N 3.26Å; E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.02Å |
| 55 | K | 97 | Very high | 95.6 | Very high | 156 Ų | 156 | 123.4 Ų | 123.4 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.4 | -40.8 | 173.2 | -73.7 | 176.4 | -178.8 | -179.3 | 0 | 111.7 | K51 A52 A59 | K51-K55 WeakPolarHBondContact O-CG 2.97Å; K51-K55 PolarHBondContact O-N 3.47Å; A52-K55 PolarHBondContact O-N 3.05Å; K55-A59 WeakPolarHBondContact O-CB 3.13Å; K55-A59 PolarHBondContact O-N 3Å |
| 56 | R | 95.6 | Very high | 95.6 | Very high | 161 Ų | 161 | 118.6 Ų | 118.6 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 177 | -170.8 | -179.4 | -176.7 | -165.1 | 1.4 | 112.1 | A52 Q53 E54 R60 | A52-R56 PolarHBondContact O-N 2.98Å; Q53-R56 WeakPolarHBondContact O-CB 3.05Å; Q53-R56 PolarHBondContact O-N 3.43Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; R56-R60 VanDerWaalsContact NH2-NH2 3.18Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3.45Å; R56-R60 VanDerWaalsContact O-N 3.11Å |
| 57 | K | 96.6 | Very high | 95.5 | Very high | 121 Ų | 121 | 118.3 Ų | 118.3 | 53% | 0.526 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 174.8 | -72 | -179.4 | 179.8 | -177.8 | 0 | 110.8 | Q53 E54 A59 R60 D61 | Q53-K57 WeakPolarHBondContact O-CG 3.42Å; Q53-K57 PolarHBondContact O-N 2.65Å; E54-K57 PolarHBondContact O-N 3.26Å; K57-A59 VanDerWaalsContact C-N 3.28Å; K57-A59 PolarHBondContact O-N 3.36Å; K57-R60 WeakPolarHBondContact O-CA 3.3Å; K57-R60 WeakPolarHBondContact O-CB 3.46Å; K57-R60 PolarHBondContact O-N 3.31Å; K57-D61 PolarHBondContact O-N 3.26Å |
| 58 | K | 97.1 | Very high | 95.4 | Very high | 118 Ų | 118 | 121.3 Ų | 121.3 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.9 | -38.9 | 177.8 | -169.6 | 172.4 | -172.6 | 168.7 | 0 | 113.1 | E54 R62 | E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.02Å; K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 3.28Å |
| 59 | A | 95.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 123 Ų | 123 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K55 K57 R63 | K55-A59 WeakPolarHBondContact O-CB 3.13Å; K55-A59 PolarHBondContact O-N 3Å; K57-A59 VanDerWaalsContact C-N 3.28Å; K57-A59 PolarHBondContact O-N 3.36Å; A59-R63 PolarHBondContact O-N 2.67Å; A59-R63 VanDerWaalsContact O-N 3.07Å |
| 60 | R | 96 | Very high | 95 | Very high | 131 Ų | 131 | 121.7 Ų | 121.7 | 49% | 0.494 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.8 | -74.1 | 172.6 | 173.2 | -170.2 | -3.7 | 111.4 | R56 K57 R63 R64 | R56-R60 VanDerWaalsContact NH2-NH2 3.18Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3.45Å; R56-R60 VanDerWaalsContact O-N 3.11Å; K57-R60 WeakPolarHBondContact O-CA 3.3Å; K57-R60 WeakPolarHBondContact O-CB 3.46Å; K57-R60 PolarHBondContact O-N 3.31Å; R60-R63 PolarHBondContact O-N 3.14Å; R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 2.92Å |
| 61 | D | 96.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 123 Ų | 123 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.1 | -41.8 | -179.3 | -60.4 | -28.1 | 0 | 0 | 0 | 111.4 | K57 R63 R64 A65 | K57-D61 PolarHBondContact O-N 3.26Å; D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 3Å; D61-R64 VanDerWaalsContact O-N 3.14Å; D61-A65 PolarHBondContact O-N 3.37Å |
| 62 | R | 95.8 | Very high | 94.2 | Very high | 171 Ų | 171 | 121.4 Ų | 121.4 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58 | -41.1 | 171.7 | -74.6 | 175.8 | 175.5 | -173.1 | -3.8 | 112.5 | K58 L66 | K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 3.28Å; R62-L66 WeakPolarHBondContact O-CB 3.42Å; R62-L66 PolarHBondContact O-N 3.33Å |
| 63 | R | 94.9 | Very high | 93.6 | Very high | 168 Ų | 168 | 127.1 Ų | 127.1 | 63% | 0.634 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -37.6 | 176.9 | -170 | 179.4 | -176.4 | -159 | 1.8 | 111.8 | A59 R60 D61 K67 | A59-R63 PolarHBondContact O-N 2.67Å; A59-R63 VanDerWaalsContact O-N 3.07Å; R60-R63 PolarHBondContact O-N 3.14Å; D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.15Å; R63-K67 WeakPolarHBondContact O-CG 3.43Å; R63-K67 PolarHBondContact O-N 2.85Å; R63-K67 VanDerWaalsContact O-N 3.12Å |
| 64 | R | 94.9 | Very high | 93 | Very high | 176 Ų | 176 | 127.4 Ų | 127.4 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -49.2 | 175.7 | -71.9 | 176.2 | 179.3 | -174.3 | -2.5 | 111.1 | R60 D61 L66 K67 E68 | R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 2.92Å; D61-R64 PolarHBondContact O-N 3Å; D61-R64 VanDerWaalsContact O-N 3.14Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; R64-K67 PolarHBondContact O-N 3.42Å; R64-E68 PolarHBondContact O-N 3.01Å |
| 65 | A | 95.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 129.9 Ų | 129.9 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D61 E68 R69 | D61-A65 PolarHBondContact O-N 3.37Å; A65-E68 PolarHBondContact O-N 3.49Å; A65-R69 WeakPolarHBondContact O-CB 3.35Å; A65-R69 PolarHBondContact O-N 3.27Å |
| 66 | L | 93.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 128.1 Ų | 128.1 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -47.7 | 176.1 | -174 | 62.9 | 0 | 0 | 0 | 111.7 | R62 R64 E68 R69 D70 | R62-L66 WeakPolarHBondContact O-CB 3.42Å; R62-L66 PolarHBondContact O-N 3.33Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 2.97Å; L66-R69 VanDerWaalsContact CD1-NH2 3.35Å; L66-R69 PolarHBondContact O-N 3.24Å; L66-D70 VanDerWaalsContact O-CG 3.28Å; L66-D70 PolarHBondContact O-N 2.93Å |
| 67 | K | 93.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 125.8 Ų | 125.8 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 177.2 | -76.1 | 179.8 | 174.5 | -164.8 | 0 | 112.5 | R63 R64 D70 R71 | R63-K67 WeakPolarHBondContact O-CG 3.43Å; R63-K67 PolarHBondContact O-N 2.85Å; R63-K67 VanDerWaalsContact O-N 3.12Å; R64-K67 PolarHBondContact O-N 3.42Å; K67-D70 PolarHBondContact O-N 3.43Å; K67-R71 VanDerWaalsContact O-CG 3.32Å; K67-R71 WeakPolarHBondContact O-CG 3.08Å; K67-R71 PolarHBondContact O-N 2.84Å |
| 68 | E | 91.7 | Very high | 89 | Confident | 140 Ų | 140 | 127.5 Ų | 127.5 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -43.8 | 177.7 | -173.6 | 172.9 | -170.2 | 0 | 0 | 111.7 | R64 A65 L66 D70 R71 H72 | R64-E68 PolarHBondContact O-N 3.01Å; A65-E68 PolarHBondContact O-N 3.49Å; L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 2.97Å; E68-D70 VanDerWaalsContact C-N 3.31Å; E68-D70 PolarHBondContact O-N 2.69Å; E68-R71 PolarHBondContact O-N 3Å; E68-H72 PolarHBondContact O-N 2.91Å |
| 69 | R | 91 | Very high | 87.6 | Confident | 170 Ų | 170 | 127.4 Ų | 127.4 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.8 | -41.3 | 174.5 | -168.2 | -179.1 | 70.1 | 175 | 2.9 | 111.9 | A65 L66 H72 R73 | A65-R69 WeakPolarHBondContact O-CB 3.35Å; A65-R69 PolarHBondContact O-N 3.27Å; L66-R69 VanDerWaalsContact CD1-NH2 3.35Å; L66-R69 PolarHBondContact O-N 3.24Å; R69-H72 PolarHBondContact O-N 3.49Å; R69-R73 PolarHBondContact O-N 3.43Å |
| 70 | D | 91.1 | Very high | 86.1 | Confident | 67 Ų | 67 | 133.1 Ų | 133.1 | 36% | 0.358 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 178.7 | -68.5 | -13.7 | 0 | 0 | 0 | 111.6 | L66 K67 E68 H72 R73 Q74 | L66-D70 VanDerWaalsContact O-CG 3.28Å; L66-D70 PolarHBondContact O-N 2.93Å; K67-D70 PolarHBondContact O-N 3.43Å; E68-D70 VanDerWaalsContact C-N 3.31Å; E68-D70 PolarHBondContact O-N 2.69Å; D70-H72 VanDerWaalsContact C-N 3.32Å; D70-H72 PolarHBondContact O-N 3.22Å; D70-R73 PolarHBondContact O-N 3.04Å; D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 3.36Å |
| 71 | R | 89.8 | Confident | 84.2 | Confident | 171 Ų | 171 | 131.5 Ų | 131.5 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.5 | -43.9 | 172.2 | -75.5 | 173.4 | 177.1 | -171.8 | -3.2 | 111.9 | K67 E68 R73 Q74 R75 | K67-R71 VanDerWaalsContact O-CG 3.32Å; K67-R71 WeakPolarHBondContact O-CG 3.08Å; K67-R71 PolarHBondContact O-N 2.84Å; E68-R71 PolarHBondContact O-N 3Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R71-Q74 PolarHBondContact O-N 3.43Å; R71-R75 WeakPolarHBondContact O-CG 3.25Å; R71-R75 PolarHBondContact O-N 3.3Å |
| 72 | H | 86.6 | Confident | 82.2 | Confident | 101 Ų | 101 | 135 Ų | 135 | 47% | 0.468 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -36.7 | 178.3 | -178 | -113.7 | 0 | 0 | 0 | 112.2 | E68 R69 D70 R75 K76 | E68-H72 PolarHBondContact O-N 2.91Å; R69-H72 PolarHBondContact O-N 3.49Å; D70-H72 VanDerWaalsContact C-N 3.32Å; D70-H72 PolarHBondContact O-N 3.22Å; H72-R75 PolarHBondContact O-N 3.42Å; H72-K76 WeakPolarHBondContact CE1-CE 3.26Å; H72-K76 PolarHBondContact CE1-NZ 3.36Å; H72-K76 WeakPolarHBondContact NE2-CE 2.97Å; H72-K76 WeakPolarHBondContact O-CG 3.24Å; H72-K76 PolarHBondContact O-N 3.24Å |
| 73 | R | 83.5 | Confident | 80.1 | Confident | 179 Ų | 179 | 132.6 Ų | 132.6 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.1 | -47.8 | 172.8 | -172.5 | 178.5 | 178.9 | 177.9 | 0.8 | 111.4 | R69 D70 R71 R75 K76 E77 | R69-R73 PolarHBondContact O-N 3.43Å; D70-R73 PolarHBondContact O-N 3.04Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-K76 VanDerWaalsContact O-N 3.15Å; R73-E77 WeakPolarHBondContact O-CB 3.4Å; R73-E77 PolarHBondContact O-N 2.93Å |
| 74 | Q | 81.8 | Confident | 78 | Confident | 116 Ų | 116 | 131.6 Ų | 131.6 | 54% | 0.542 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60 | -40.9 | 177.2 | -72.7 | 178.9 | 0.2 | 0 | 0 | 112.3 | D70 R71 E77 K78 | D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 3.36Å; R71-Q74 PolarHBondContact O-N 3.43Å; Q74-E77 PolarHBondContact O-N 3.4Å; Q74-K78 WeakPolarHBondContact O-CB 3.35Å; Q74-K78 WeakPolarHBondContact O-CG 3.35Å; Q74-K78 PolarHBondContact O-N 3.24Å |
| 75 | R | 79.1 | Confident | 76 | Confident | 183 Ų | 183 | 126.6 Ų | 126.6 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.1 | -44.1 | 174.6 | -74 | 178.6 | 179.2 | -176.4 | -1.7 | 111.7 | R71 H72 R73 E77 V79 | R71-R75 WeakPolarHBondContact O-CG 3.25Å; R71-R75 PolarHBondContact O-N 3.3Å; H72-R75 PolarHBondContact O-N 3.42Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å; R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 PolarHBondContact O-N 2.99Å; R75-V79 VanDerWaalsContact O-CG2 3.29Å; R75-V79 WeakPolarHBondContact O-CG2 3.33Å; R75-V79 PolarHBondContact O-N 2.92Å; R75-V79 VanDerWaalsContact O-N 3.13Å |
| 76 | K | 76.3 | Confident | 73.9 | Confident | 119 Ų | 119 | 134.9 Ų | 134.9 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.7 | -35.2 | 177.6 | -76.8 | -176.4 | 166.7 | -175.3 | 0 | 113.1 | H72 R73 K80 | H72-K76 WeakPolarHBondContact CE1-CE 3.26Å; H72-K76 PolarHBondContact CE1-NZ 3.36Å; H72-K76 WeakPolarHBondContact NE2-CE 2.97Å; H72-K76 WeakPolarHBondContact O-CG 3.24Å; H72-K76 PolarHBondContact O-N 3.24Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-K76 VanDerWaalsContact O-N 3.15Å; K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.94Å |
| 77 | E | 75.9 | Confident | 72 | Confident | 112 Ų | 112 | 137.8 Ų | 137.8 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.4 | -50.8 | 176.1 | -166.4 | 163.4 | -169 | 0 | 0 | 110.4 | R73 Q74 R75 V79 K80 T81 | R73-E77 WeakPolarHBondContact O-CB 3.4Å; R73-E77 PolarHBondContact O-N 2.93Å; Q74-E77 PolarHBondContact O-N 3.4Å; R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 PolarHBondContact O-N 2.99Å; E77-V79 PolarHBondContact O-N 3.03Å; E77-V79 VanDerWaalsContact O-N 3.11Å; E77-K80 WeakPolarHBondContact O-CA 3.45Å; E77-K80 PolarHBondContact O-N 3.34Å; E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 3.4Å |
| 78 | K | 69.6 | Low | 70 | Confident | 157 Ų | 157 | 138.9 Ų | 138.9 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -55.7 | -31.3 | 175.7 | -72.4 | -175.9 | 178.7 | -163.6 | 0 | 114.5 | Q74 | Q74-K78 WeakPolarHBondContact O-CB 3.35Å; Q74-K78 WeakPolarHBondContact O-CG 3.35Å; Q74-K78 PolarHBondContact O-N 3.24Å |
| 79 | V | 67.1 | Low | 68.3 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -32.5 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | R75 E77 | R75-V79 VanDerWaalsContact O-CG2 3.29Å; R75-V79 WeakPolarHBondContact O-CG2 3.33Å; R75-V79 PolarHBondContact O-N 2.92Å; R75-V79 VanDerWaalsContact O-N 3.13Å; E77-V79 PolarHBondContact O-N 3.03Å; E77-V79 VanDerWaalsContact O-N 3.11Å |
| 80 | K | 64 | Low | 66.6 | Low | 179 Ų | 179 | 136.2 Ų | 136.2 | 78% | 0.778 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84.2 | -26.5 | -179.3 | -70.6 | -179 | 177.7 | -163.8 | 0 | 113.2 | K76 E77 K82 | K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.94Å; E77-K80 WeakPolarHBondContact O-CA 3.45Å; E77-K80 PolarHBondContact O-N 3.34Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.31Å |
| 81 | T | 57.1 | Low | 65.1 | Low | 98 Ų | 98 | 135.7 Ų | 135.7 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 20.6 | 179.7 | -15.5 | 0 | 0 | 0 | 0 | 114.2 | E77 P83 | E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 3.4Å; T81-P83 WeakPolarHBondContact O-CD 3.49Å |
| 82 | K | 54 | Low | 64.2 | Low | 164 Ų | 164 | 131 Ų | 131 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | -97.6 | 82.2 | 168.4 | -79.7 | -168.4 | 170.3 | -159.7 | 0 | 112.2 | K80 | K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.31Å | ||
| 83 | P | 51.8 | Low | 63.7 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -102.7 | 5.6 | 156.2 | 35.9 | -29.2 | 0 | 0 | 0 | 113.2 | T81 | T81-P83 WeakPolarHBondContact O-CD 3.49Š| ||
| 84 | E | 50.9 | Low | 63.5 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | trans | -102.1 | 26.9 | -169.8 | -139.7 | 169.9 | -152.1 | 0 | 0 | 114.3 | R86 | E84-R86 PolarHBondContact O-N 3.4Å; E84-R86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | A | 51.7 | Low | 63.2 | Low | 72 Ų | 72 | 124.8 Ų | 124.8 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 5.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 86 | R | 51.8 | Low | 63.4 | Low | 231 Ų | 231 | 122.7 Ų | 122.7 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -20.2 | -179.2 | -70.5 | -170.9 | 177.6 | -156.3 | -1.2 | 114.2 | E84 | E84-R86 PolarHBondContact O-N 3.4Å; E84-R86 VanDerWaalsContact O-N 3.11Å |
| 87 | Q | 52.9 | Low | 63.9 | Low | 143 Ų | 143 | 123.4 Ų | 123.4 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -17.5 | -174.8 | -148.2 | 168.4 | 17.6 | 0 | 0 | 113.5 | L89 | Q87-L89 VanDerWaalsContact C-N 3.34Š|
| 88 | E | 52.5 | Low | 64.6 | Low | 133 Ų | 133 | 124 Ų | 124 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.4 | -22.7 | 176.9 | -74 | -174.7 | 161.1 | 0 | 0 | 113.3 | S91 S92 | E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 PolarHBondContact O-OG 3.33Å; E88-S92 PolarHBondContact O-N 3.24Å |
| 89 | L | 55.2 | Low | 65.4 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -40.4 | -177.5 | -71.7 | 170.7 | 0 | 0 | 0 | 112.5 | Q87 S91 S92 | Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.94Å; L89-S92 WeakPolarHBondContact O-CB 3.48Å; L89-S92 PolarHBondContact O-N 2.92Å |
| 90 | D | 55 | Low | 66.6 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.1 | -34.4 | 179 | -67.4 | -21.6 | 0 | 0 | 0 | 111.6 | S92 | D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.11Å |
| 91 | S | 61.6 | Low | 68.1 | Low | 56 Ų | 56 | 120.8 Ų | 120.8 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.8 | -28.9 | 176.3 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | E88 L89 | E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 PolarHBondContact O-OG 3.33Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.94Å |
| 92 | S | 69 | Low | 69.8 | Low | 71 Ų | 71 | 118.7 Ų | 118.7 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.4 | -38.2 | -179.1 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | E88 L89 D90 W95 E96 | E88-S92 PolarHBondContact O-N 3.24Å; L89-S92 WeakPolarHBondContact O-CB 3.48Å; L89-S92 PolarHBondContact O-N 2.92Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.11Å; S92-W95 PolarHBondContact O-N 3.04Å; S92-E96 PolarHBondContact O-N 3.14Å |
| 93 | G | 76.8 | Confident | 71.7 | Confident | 33 Ų | 33 | 113.3 Ų | 113.3 | 34% | 0.34 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W95 E96 E97 | G93-W95 VanDerWaalsContact C-N 3.26Å; G93-W95 PolarHBondContact O-N 3.49Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.25Å; G93-E97 PolarHBondContact O-N 3.31Å |
| 94 | E | 79.9 | Confident | 73.6 | Confident | 98 Ų | 98 | 114.1 Ų | 114.1 | 46% | 0.458 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.5 | -35.5 | 178.8 | -65.3 | -174 | -173.5 | 0 | 0 | 113.1 | E96 R98 | E94-E96 VanDerWaalsContact C-N 3.35Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.36Å; E94-R98 IonicContact OE2-CZ 2.92Å; E94-R98 IonicContact OE2-NH2 3.27Å; E94-R98 PolarHBondContact OE2-NH2 3.22Å |
| 95 | W | 74.6 | Confident | 75.7 | Confident | 136 Ų | 136 | 115.2 Ų | 115.2 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -34.6 | 177.3 | -85.7 | 106.1 | 0 | 0 | 0 | 112.6 | S92 G93 K99 | S92-W95 PolarHBondContact O-N 3.04Å; G93-W95 VanDerWaalsContact C-N 3.26Å; G93-W95 PolarHBondContact O-N 3.49Å; W95-K99 WeakPolarHBondContact O-CG 3.49Å; W95-K99 PolarHBondContact O-N 2.92Å; W95-K99 VanDerWaalsContact O-N 3.1Å |
| 96 | E | 84.6 | Confident | 77.6 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 65% | 0.645 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.8 | -40.4 | 177.1 | -163.7 | 143.2 | -147 | 0 | 0 | 111.1 | S92 G93 E94 R98 K99 Y100 | S92-E96 PolarHBondContact O-N 3.14Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.25Å; E94-E96 VanDerWaalsContact C-N 3.35Å; E96-R98 PolarHBondContact O-N 3.21Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 2.95Å; E96-Y100 PolarHBondContact O-N 3.45Å |
| 97 | E | 86.9 | Confident | 79.6 | Confident | 134 Ų | 134 | 111.2 Ų | 111.2 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 172.1 | -69.7 | 179 | -176.7 | 0 | 0 | 112.4 | G93 K99 Y100 L101 | G93-E97 PolarHBondContact O-N 3.31Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 2.84Å; E97-Y100 WeakPolarHBondContact O-CB 3.27Å; E97-Y100 PolarHBondContact O-N 3.09Å; E97-L101 WeakPolarHBondContact O-CG 3.47Å; E97-L101 PolarHBondContact O-N 3.07Å |
| 98 | R | 89.7 | Confident | 81.5 | Confident | 125 Ų | 125 | 108.2 Ų | 108.2 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 175.6 | -73.2 | 172.4 | -168.5 | 149.3 | 15 | 112 | E94 E96 L101 L102 | E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.36Å; E94-R98 IonicContact OE2-CZ 2.92Å; E94-R98 IonicContact OE2-NH2 3.27Å; E94-R98 PolarHBondContact OE2-NH2 3.22Å; E96-R98 PolarHBondContact O-N 3.21Å; R98-L101 PolarHBondContact O-N 3Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å |
| 99 | K | 87.1 | Confident | 83.4 | Confident | 147 Ų | 147 | 104.6 Ų | 104.6 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 174.5 | -74.6 | 173.6 | -175.7 | 173.7 | 0 | 111.3 | W95 E96 E97 L102 A103 | W95-K99 WeakPolarHBondContact O-CG 3.49Å; W95-K99 PolarHBondContact O-N 2.92Å; W95-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 2.95Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 2.84Å; K99-L102 PolarHBondContact O-N 2.93Å; K99-A103 WeakPolarHBondContact O-CB 3.45Å; K99-A103 PolarHBondContact O-N 3.06Å |
| 100 | Y | 92.1 | Very high | 85.2 | Confident | 156 Ų | 156 | 102.8 Ų | 102.8 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -46.8 | 177 | 178.2 | -98.1 | 0 | 0 | 0 | 112 | E96 E97 L102 A103 R104 | E96-Y100 PolarHBondContact O-N 3.45Å; E97-Y100 WeakPolarHBondContact O-CB 3.27Å; E97-Y100 PolarHBondContact O-N 3.09Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.98Å; Y100-A103 PolarHBondContact O-N 2.95Å; Y100-R104 WeakPolarHBondContact O-CB 3.36Å; Y100-R104 PolarHBondContact O-N 3.19Å |
| 101 | L | 94.3 | Very high | 87 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 43% | 0.429 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.6 | -70.6 | 175.1 | 0 | 0 | 0 | 112.3 | E97 R98 R104 R105 | E97-L101 WeakPolarHBondContact O-CG 3.47Å; E97-L101 PolarHBondContact O-N 3.07Å; R98-L101 PolarHBondContact O-N 3Å; L101-R104 PolarHBondContact O-N 2.98Å; L101-R105 WeakPolarHBondContact O-CG 3.11Å; L101-R105 PolarHBondContact O-N 2.97Å |
| 102 | L | 94.4 | Very high | 88.6 | Confident | 53 Ų | 53 | 107.3 Ų | 107.3 | 28% | 0.277 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.1 | -174 | 63.9 | 0 | 0 | 0 | 111.7 | R98 K99 Y100 R104 R105 R106 | R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å; K99-L102 PolarHBondContact O-N 2.93Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.98Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R105 PolarHBondContact O-N 3.01Å; L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 2.8Å |
| 103 | A | 92.3 | Very high | 89.8 | Confident | 51 Ų | 51 | 107.7 Ų | 107.7 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K99 Y100 R106 V107 | K99-A103 WeakPolarHBondContact O-CB 3.45Å; K99-A103 PolarHBondContact O-N 3.06Å; Y100-A103 PolarHBondContact O-N 2.95Å; A103-R106 PolarHBondContact O-N 3Å; A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.4Å |
| 104 | R | 91.6 | Very high | 90.5 | Very high | 137 Ų | 137 | 111 Ų | 111 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -49 | 175.6 | -178 | 176.5 | 170.7 | -179.4 | -0.5 | 112 | Y100 L101 L102 R106 V107 E108 | Y100-R104 WeakPolarHBondContact O-CB 3.36Å; Y100-R104 PolarHBondContact O-N 3.19Å; L101-R104 PolarHBondContact O-N 2.98Å; L102-R104 VanDerWaalsContact C-N 3.34Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 2.84Å; R104-V107 PolarHBondContact O-N 3.47Å; R104-E108 IonicContact CZ-OE1 3.26Å; R104-E108 IonicContact NE-OE1 2.65Å; R104-E108 PolarHBondContact NE-OE1 2.8Å; R104-E108 VanDerWaalsContact NE-OE1 3.1Å; R104-E108 IonicContact NH2-OE1 3.84Å; R104-E108 WeakPolarHBondContact O-CG 3.06Å; R104-E108 PolarHBondContact O-N 3.33Å |
| 105 | R | 94.7 | Very high | 91.2 | Very high | 170 Ų | 170 | 110.1 Ų | 110.1 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 176.8 | -72.9 | 176.2 | -173.4 | 169.2 | 2.9 | 112.4 | L101 L102 E108 A109 | L101-R105 WeakPolarHBondContact O-CG 3.11Å; L101-R105 PolarHBondContact O-N 2.97Å; L102-R105 PolarHBondContact O-N 3.01Å; R105-E108 PolarHBondContact O-N 3.3Å; R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.16Å |
| 106 | R | 92.7 | Very high | 92.1 | Very high | 149 Ų | 149 | 108.4 Ų | 108.4 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 176.1 | -74.6 | 173.9 | 179 | -173.1 | 0.5 | 111.9 | L102 A103 R104 A109 L110 | L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 2.8Å; A103-R106 PolarHBondContact O-N 3Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 2.84Å; R106-A109 PolarHBondContact O-N 3.12Å; R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 3.35Å |
| 107 | V | 93.3 | Very high | 92.4 | Very high | 70 Ų | 70 | 103.1 Ų | 103.1 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | A103 R104 L110 R111 | A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.4Å; R104-V107 PolarHBondContact O-N 3.47Å; V107-L110 PolarHBondContact O-N 3Å; V107-R111 WeakPolarHBondContact O-CG 3.23Å; V107-R111 PolarHBondContact O-N 3.14Å |
| 108 | E | 92.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 102.5 Ų | 102.5 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.7 | -72 | 174.2 | -171.5 | 0 | 0 | 111.8 | R104 R105 L110 R111 L112 | R104-E108 IonicContact CZ-OE1 3.26Å; R104-E108 IonicContact NE-OE1 2.65Å; R104-E108 PolarHBondContact NE-OE1 2.8Å; R104-E108 VanDerWaalsContact NE-OE1 3.1Å; R104-E108 IonicContact NH2-OE1 3.84Å; R104-E108 WeakPolarHBondContact O-CG 3.06Å; R104-E108 PolarHBondContact O-N 3.33Å; R105-E108 PolarHBondContact O-N 3.3Å; E108-L110 PolarHBondContact O-N 2.9Å; E108-R111 WeakPolarHBondContact O-CB 3.16Å; E108-R111 PolarHBondContact O-N 2.71Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.02Å |
| 109 | A | 92.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 103.4 Ų | 103.4 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R105 R106 R111 L112 L113 | R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.16Å; R106-A109 PolarHBondContact O-N 3.12Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 2.8Å; A109-L112 PolarHBondContact O-N 3.29Å; A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 PolarHBondContact O-N 3.19Å |
| 110 | L | 93.1 | Very high | 92.5 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 176 | -72.2 | 172.9 | 0 | 0 | 0 | 112.3 | R106 V107 E108 L113 R114 L144 | R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 3Å; E108-L110 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 3.27Å; L110-R114 WeakPolarHBondContact O-CB 3.21Å; L110-R114 PolarHBondContact O-N 3.37Å; L110-L144 HydrophobicContact CD2-CD1 4.44Å; L110-L144 HydrophobicContact CD2-CD2 4.24Å; L110-L144 HydrophobicContact CD2-CG 4.35Å |
| 111 | R | 92.9 | Very high | 92 | Very high | 160 Ų | 160 | 94.5 Ų | 94.5 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 173.5 | -73.4 | 175 | 179 | 163.6 | -0.5 | 111.3 | V107 E108 A109 R114 V115 | V107-R111 WeakPolarHBondContact O-CG 3.23Å; V107-R111 PolarHBondContact O-N 3.14Å; E108-R111 WeakPolarHBondContact O-CB 3.16Å; E108-R111 PolarHBondContact O-N 2.71Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 2.8Å; R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.03Å; R111-V115 WeakPolarHBondContact O-CG2 3.37Å; R111-V115 PolarHBondContact O-N 3.04Å; R111-V115 VanDerWaalsContact O-N 3.09Å |
| 112 | L | 95.4 | Very high | 91.6 | Very high | 118 Ų | 118 | 95.4 Ų | 95.4 | 62% | 0.618 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176 | -72.3 | 171.2 | 0 | 0 | 0 | 111.6 | E108 A109 R114 V115 L116 | E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.02Å; A109-L112 PolarHBondContact O-N 3.29Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.1Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.42Å |
| 113 | L | 93.3 | Very high | 91.1 | Very high | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.414 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 176.6 | -176 | 63.5 | 0 | 0 | 0 | 111.3 | A109 L110 V115 L116 L117 L144 | A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 PolarHBondContact O-N 3.19Å; L110-L113 PolarHBondContact O-N 3.27Å; L113-V115 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 3.48Å; L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.42Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.22Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å |
| 114 | R | 92.1 | Very high | 90.3 | Very high | 102 Ų | 102 | 100.7 Ų | 100.7 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.2 | -173 | -175.4 | -72.1 | -177.1 | -3.9 | 112.2 | L110 R111 L112 K118 L141 L144 | L110-R114 WeakPolarHBondContact O-CB 3.21Å; L110-R114 PolarHBondContact O-N 3.37Å; R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.03Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.1Å; R114-K118 WeakPolarHBondContact O-CB 3.32Å; R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.93Å; R114-L141 HydrophobicContact CG-CD2 4.5Å; R114-L144 HydrophobicContact CB-CD2 4.48Å; R114-L144 PolarHBondContact NH2-O 3.34Å |
| 115 | V | 93.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | R111 L112 L113 K118 K119 | R111-V115 WeakPolarHBondContact O-CG2 3.37Å; R111-V115 PolarHBondContact O-N 3.04Å; R111-V115 VanDerWaalsContact O-N 3.09Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.1Å; L113-V115 PolarHBondContact O-N 2.84Å; V115-K118 PolarHBondContact O-N 2.9Å; V115-K119 PolarHBondContact O-N 3.22Å |
| 116 | L | 93.6 | Very high | 88.5 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.4 | -70.6 | 172.9 | 0 | 0 | 0 | 111.6 | L112 L113 K118 K119 I120 | L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.42Å; L113-L116 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.92Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.12Å; L116-I120 WeakPolarHBondContact O-CG1 3.5Å; L116-I120 PolarHBondContact O-N 3.01Å |
| 117 | L | 90.6 | Very high | 87.5 | Confident | 27 Ų | 27 | 101.4 Ų | 101.4 | 14% | 0.141 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176.6 | -71.8 | 173.7 | 0 | 0 | 0 | 112.1 | L113 I120 A121 | L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.42Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.22Å; L117-I120 PolarHBondContact O-N 3.36Å; L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.42Å |
| 118 | K | 90.2 | Very high | 86 | Confident | 121 Ų | 121 | 107.5 Ų | 107.5 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 173 | -77.6 | 180 | 177.2 | -172.8 | 0 | 112.1 | R114 V115 L116 A121 V122 | R114-K118 WeakPolarHBondContact O-CB 3.32Å; R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.93Å; V115-K118 PolarHBondContact O-N 2.9Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.92Å; K118-A121 PolarHBondContact O-N 3.31Å; K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.01Å |
| 119 | K | 89.7 | Confident | 84.2 | Confident | 145 Ų | 145 | 110.7 Ų | 110.7 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 176.8 | -76.9 | -175.6 | 174.2 | -174.9 | 0 | 111.6 | V115 L116 V122 W123 | V115-K119 PolarHBondContact O-N 3.22Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.12Å; K119-V122 PolarHBondContact O-N 3.24Å; K119-W123 WeakPolarHBondContact O-CB 3.32Å; K119-W123 PolarHBondContact O-N 3.02Å |
| 120 | I | 86.8 | Confident | 82.6 | Confident | 82 Ų | 82 | 113.3 Ų | 113.3 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.3 | -65.9 | 165.8 | 0 | 0 | 0 | 110.3 | L116 L117 V122 W123 M124 | L116-I120 WeakPolarHBondContact O-CG1 3.5Å; L116-I120 PolarHBondContact O-N 3.01Å; L117-I120 PolarHBondContact O-N 3.36Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.45Å; I120-W123 PolarHBondContact O-N 2.96Å; I120-M124 HydrophobicContact CG2-CG 4.09Å; I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 WeakPolarHBondContact O-CG 3.47Å; I120-M124 PolarHBondContact O-N 3.47Å |
| 121 | A | 81.4 | Confident | 80.8 | Confident | 33 Ų | 33 | 118.9 Ų | 118.9 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L117 K118 R125 I137 | L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.42Å; K118-A121 PolarHBondContact O-N 3.31Å; A121-R125 WeakPolarHBondContact O-CB 3.32Å; A121-R125 PolarHBondContact O-N 2.91Å; A121-R125 VanDerWaalsContact O-N 3.1Å; A121-I137 HydrophobicContact CB-CG2 4.42Å |
| 122 | V | 85.5 | Confident | 78.9 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -43 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | K118 K119 I120 R125 K126 | K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.01Å; K119-V122 PolarHBondContact O-N 3.24Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.45Å; V122-R125 PolarHBondContact O-N 2.92Å; V122-K126 PolarHBondContact O-N 3.32Å; V122-K126 VanDerWaalsContact O-N 3.07Å |
| 123 | W | 83.4 | Confident | 77 | Confident | 151 Ų | 151 | 114.1 Ų | 114.1 | 57% | 0.572 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -48.1 | 177.4 | -175.5 | 76.4 | 0 | 0 | 0 | 111.6 | K119 I120 R125 K126 E127 | K119-W123 WeakPolarHBondContact O-CB 3.32Å; K119-W123 PolarHBondContact O-N 3.02Å; I120-W123 PolarHBondContact O-N 2.96Å; W123-R125 VanDerWaalsContact C-N 3.27Å; W123-R125 PolarHBondContact O-N 2.93Å; W123-K126 WeakPolarHBondContact O-CB 3.44Å; W123-K126 PolarHBondContact O-N 3.45Å; W123-E127 WeakPolarHBondContact CH2-OE2 3.2Å; W123-E127 WeakPolarHBondContact CZ2-OE2 3.37Å; W123-E127 PolarHBondContact O-N 2.88Å |
| 124 | M | 75.9 | Confident | 75.3 | Confident | 64 Ų | 64 | 117 Ų | 117 | 32% | 0.315 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -31.4 | 175.1 | -69.9 | -67.1 | -63.7 | 0 | 0 | 113.2 | I120 L130 | I120-M124 HydrophobicContact CG2-CG 4.09Å; I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 WeakPolarHBondContact O-CG 3.47Å; I120-M124 PolarHBondContact O-N 3.47Å; M124-L130 HydrophobicContact CE-CB 3.79Å; M124-L130 HydrophobicContact CE-CD2 3.95Å; M124-L130 HydrophobicContact CE-CG 4.41Å |
| 125 | R | 73.8 | Confident | 73.7 | Confident | 208 Ų | 208 | 117 Ų | 117 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.9 | -32.3 | 174.5 | -172.8 | -175.2 | -67.8 | -154.6 | -1.1 | 112 | A121 V122 W123 | A121-R125 WeakPolarHBondContact O-CB 3.32Å; A121-R125 PolarHBondContact O-N 2.91Å; A121-R125 VanDerWaalsContact O-N 3.1Å; V122-R125 PolarHBondContact O-N 2.92Å; W123-R125 VanDerWaalsContact C-N 3.27Å; W123-R125 PolarHBondContact O-N 2.93Å |
| 126 | K | 75.9 | Confident | 72.1 | Confident | 181 Ų | 181 | 118.9 Ų | 118.9 | 79% | 0.787 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.3 | -34.5 | 178.7 | -168.4 | 177.7 | 179.3 | -177.6 | 0 | 111.3 | V122 W123 K128 | V122-K126 PolarHBondContact O-N 3.32Å; V122-K126 VanDerWaalsContact O-N 3.07Å; W123-K126 WeakPolarHBondContact O-CB 3.44Å; W123-K126 PolarHBondContact O-N 3.45Å; K126-K128 PolarHBondContact O-N 3.32Å |
| 127 | E | 70.8 | Confident | 70.6 | Confident | 83 Ų | 83 | 116.3 Ų | 116.3 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -90.7 | 86.3 | 178.5 | -156.6 | 164.6 | -140.4 | 0 | 0 | 110.2 | W123 N129 | W123-E127 WeakPolarHBondContact CH2-OE2 3.2Å; W123-E127 WeakPolarHBondContact CZ2-OE2 3.37Å; W123-E127 PolarHBondContact O-N 2.88Å; E127-N129 PolarHBondContact O-N 3.12Å |
| 128 | K | 61.4 | Low | 69.4 | Low | 197 Ų | 197 | 118 Ų | 118 | 86% | 0.857 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 16.3 | -172.2 | -67.1 | -178 | 178 | 176.7 | 0 | 116.2 | K126 | K126-K128 PolarHBondContact O-N 3.32Š|
| 129 | N | 56.3 | Low | 68.2 | Low | 148 Ų | 148 | 117.6 Ų | 117.6 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 6.2 | -170.3 | -71.5 | -43.6 | 0 | 0 | 0 | 116 | E127 | E127-N129 PolarHBondContact O-N 3.12Š|
| 130 | L | 58.1 | Low | 67 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | trans | -111.3 | 105 | 171.5 | -83.6 | 85.2 | 0 | 0 | 0 | 111.8 | M124 | M124-L130 HydrophobicContact CE-CB 3.79Å; M124-L130 HydrophobicContact CE-CD2 3.95Å; M124-L130 HydrophobicContact CE-CG 4.41Å | ||
| 131 | K | 55.6 | Low | 66.1 | Low | 206 Ų | 206 | 113.4 Ų | 113.4 | 90% | 0.896 | 57% | 0.565 | S | S | * | * | trans | -67.8 | 152.2 | 162.4 | -85.3 | -179.6 | 177 | 175.9 | 0 | 110 | ||||
| 132 | P | 53.7 | Low | 65.3 | Low | 90 Ų | 90 | 117.6 Ų | 117.6 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | -103 | 141.3 | -119.7 | 34 | -34 | 0 | 0 | 0 | 116.5 | Q134 | P132-Q134 HydrophobicContact CB-CB 3.78Š| |||
| 133 | C | 55.1 | Low | 64.1 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | trans | -104.2 | 30.8 | 145.3 | -60.7 | 0 | 0 | 0 | 0 | 111 | T135 H136 | C133-T135 PolarHBondContact O-N 2.98Å; C133-T135 VanDerWaalsContact O-N 3.15Å; C133-H136 PolarHBondContact O-N 3.34Å | ||
| 134 | Q | 57.2 | Low | 63 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59 | -25.9 | -176.6 | -166.7 | 172.3 | 6.3 | 0 | 0 | 112.7 | P132 S138 | P132-Q134 HydrophobicContact CB-CB 3.78Å; Q134-S138 PolarHBondContact O-N 2.89Å; Q134-S138 PolarHBondContact O-OG 3.07Å |
| 135 | T | 57.9 | Low | 61.8 | Low | 104 Ų | 104 | 111 Ų | 111 | 64% | 0.638 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -40.3 | 173.2 | 36.5 | 0 | 0 | 0 | 0 | 113 | C133 L139 | C133-T135 PolarHBondContact O-N 2.98Å; C133-T135 VanDerWaalsContact O-N 3.15Å; T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.25Å |
| 136 | H | 60.9 | Low | 60.8 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.5 | -38.4 | -177.7 | -68.6 | -79.8 | 0 | 0 | 0 | 112.6 | C133 L140 | C133-H136 PolarHBondContact O-N 3.34Å; H136-L140 WeakPolarHBondContact O-CB 3.46Å; H136-L140 WeakPolarHBondContact O-CG 3.43Å; H136-L140 PolarHBondContact O-N 3.28Å |
| 137 | I | 63.1 | Low | 59.2 | Low | 44 Ų | 44 | 102.8 Ų | 102.8 | 23% | 0.226 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -72.8 | -41.4 | 179.9 | -62.6 | 173.8 | 0 | 0 | 0 | 110.9 | A121 L140 L141 | A121-I137 HydrophobicContact CB-CG2 4.42Å; I137-L140 PolarHBondContact O-N 3.37Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CB 3.21Å; I137-L141 WeakPolarHBondContact O-CD1 3.49Å; I137-L141 PolarHBondContact O-N 3.04Å |
| 138 | S | 64.7 | Low | 57.8 | Low | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -38.9 | 174 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | Q134 L141 N142 | Q134-S138 PolarHBondContact O-N 2.89Å; Q134-S138 PolarHBondContact O-OG 3.07Å; S138-L141 PolarHBondContact O-N 3.46Å; S138-N142 WeakPolarHBondContact O-CB 3.4Å; S138-N142 PolarHBondContact O-N 2.99Å |
| 139 | L | 65.5 | Low | 56.4 | Low | 112 Ų | 112 | 103 Ų | 103 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.8 | -45.7 | 175 | -161.9 | 83.4 | 0 | 0 | 0 | 111 | T135 L141 N142 C143 | T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.25Å; L139-L141 PolarHBondContact O-N 2.96Å; L139-N142 PolarHBondContact O-N 3.41Å; L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-C143 PolarHBondContact O-SG 2.91Å |
| 140 | L | 64.9 | Low | 55.2 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -39.6 | 177.2 | -74.7 | 169.5 | 0 | 0 | 0 | 112.8 | H136 I137 L144 | H136-L140 WeakPolarHBondContact O-CB 3.46Å; H136-L140 WeakPolarHBondContact O-CG 3.43Å; H136-L140 PolarHBondContact O-N 3.28Å; I137-L140 PolarHBondContact O-N 3.37Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-L144 VanDerWaalsContact O-N 3.08Å |
| 141 | L | 66.1 | Low | 54.2 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 25% | 0.246 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -67.3 | -37.7 | 175.8 | -84.7 | 153.5 | 0 | 0 | 0 | 112.4 | R114 I137 S138 L139 G145 | R114-L141 HydrophobicContact CG-CD2 4.5Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CB 3.21Å; I137-L141 WeakPolarHBondContact O-CD1 3.49Å; I137-L141 PolarHBondContact O-N 3.04Å; S138-L141 PolarHBondContact O-N 3.46Å; L139-L141 PolarHBondContact O-N 2.96Å; L141-G145 PolarHBondContact O-N 3.23Å |
| 142 | N | 66.5 | Low | 52.9 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 65% | 0.647 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.6 | -41 | 175.9 | -76.9 | -13.7 | 0 | 0 | 0 | 112.2 | S138 L139 L144 G145 S146 | S138-N142 WeakPolarHBondContact O-CB 3.4Å; S138-N142 PolarHBondContact O-N 2.99Å; L139-N142 PolarHBondContact O-N 3.41Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.38Å; N142-G145 PolarHBondContact O-N 3.49Å; N142-G145 VanDerWaalsContact O-N 3.1Å; N142-S146 PolarHBondContact O-N 2.89Å |
| 143 | C | 59.4 | Low | 51.9 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 54% | 0.541 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -37.4 | 175.3 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | L139 G145 S146 | L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-C143 PolarHBondContact O-SG 2.91Å; C143-G145 VanDerWaalsContact C-N 3.26Å; C143-G145 PolarHBondContact O-N 3.38Å; C143-S146 PolarHBondContact O-N 3.44Å |
| 144 | L | 59.5 | Low | 50.8 | Low | 40 Ų | 40 | 108.4 Ų | 108.4 | 21% | 0.209 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -14 | 174 | -110 | 74.3 | 0 | 0 | 0 | 113.9 | L110 L113 R114 L140 N142 | L110-L144 HydrophobicContact CD2-CD1 4.44Å; L110-L144 HydrophobicContact CD2-CD2 4.24Å; L110-L144 HydrophobicContact CD2-CG 4.35Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å; R114-L144 HydrophobicContact CB-CD2 4.48Å; R114-L144 PolarHBondContact NH2-O 3.34Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-L144 VanDerWaalsContact O-N 3.08Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.38Å |
| 145 | G | 52.3 | Low | 49.4 | Very low | 56 Ų | 56 | 105 Ų | 105 | 58% | 0.577 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -13.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L141 N142 C143 | L141-G145 PolarHBondContact O-N 3.23Å; N142-G145 PolarHBondContact O-N 3.49Å; N142-G145 VanDerWaalsContact O-N 3.1Å; C143-G145 VanDerWaalsContact C-N 3.26Å; C143-G145 PolarHBondContact O-N 3.38Å |
| 146 | S | 51.9 | Low | 48.1 | Very low | 99 Ų | 99 | 106.9 Ų | 106.9 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -112.1 | 42.2 | -170.1 | -154.1 | 0 | 0 | 0 | 0 | 113.4 | N142 C143 Q148 | N142-S146 PolarHBondContact O-N 2.89Å; C143-S146 PolarHBondContact O-N 3.44Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.4Å | ||
| 147 | T | 42.5 | Very low | 46.7 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | trans | -96.3 | 66.3 | 160.7 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 148 | Q | 42 | Very low | 44.9 | Very low | 166 Ų | 166 | 116 Ų | 116 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -90 | 88.2 | 155.2 | -169.5 | 174.3 | 30.8 | 0 | 0 | 105.9 | S146 N150 | S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.4Å; Q148-N150 PolarHBondContact O-N 3.15Å | ||
| 149 | C | 30.3 | Very low | 43.3 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -68.9 | 97.9 | 167.9 | -70.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 150 | N | 32.2 | Very low | 41.5 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | trans | -88.3 | 125 | 160.4 | -103.3 | -21 | 0 | 0 | 0 | 108.4 | Q148 Q152 | Q148-N150 PolarHBondContact O-N 3.15Å; N150-Q152 PolarHBondContact O-N 3.04Å | ||
| 151 | P | 36.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | trans | -73.9 | 116.5 | 163.8 | 30.3 | -27.7 | 0 | 0 | 0 | 107.5 | E153 | P151-E153 PolarHBondContact O-N 3.39Å; P151-E153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | Q | 29.6 | Very low | 38.1 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -78.9 | 100 | 177.9 | -168.6 | 145.5 | 4 | 0 | 0 | 109.2 | N150 | N150-Q152 PolarHBondContact O-N 3.04Š| ||
| 153 | E | 31.2 | Very low | 36.4 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.1 | 166 | -75.5 | -174.7 | 164.7 | 0 | 0 | 110.3 | P151 | P151-E153 PolarHBondContact O-N 3.39Å; P151-E153 VanDerWaalsContact O-N 3.16Å |
| 154 | V | 32 | Very low | 35.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 125.8 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 155 | G | 28.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 166.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 156 | V | 31.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -141.9 | 113.3 | 158.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 157 | M | 31.7 | Very low | 32.1 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 17.2 | 125.5 | 146.6 | -81.3 | -96.7 | 167.3 | 0 | 0 | 119.9 | ||||
| 158 | K | 25.3 | Very low | 31.3 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | 157 | 133.3 | 88 | -160.3 | 159 | -178.7 | -177.1 | 0 | 114.1 | |||||
| 159 | S | 30.9 | Very low | 30.7 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 60 | 115.2 | 152.1 | -62.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 160 | E | 27.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | 89 | 135 | 65.9 | -167.7 | 174.1 | -149.9 | 0 | 0 | 113.4 | |||||
| 161 | A | 29.7 | Very low | 30.3 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | trans | 104.4 | 97.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 162 | H | 29.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 79.7 | 126.3 | 120.2 | -65.1 | -61.7 | 0 | 0 | 0 | 124.7 | |||||
| 163 | H | 30.8 | Very low | 30.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 87 | 126.3 | 148.7 | -60.9 | -55.7 | 0 | 0 | 0 | 121.8 | ||||
| 164 | T | 32.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -84.8 | -168.6 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 165 | P | 46.6 | Very low | 30.7 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -126.4 | 157.4 | -68.3 | 36.8 | -20.6 | 0 | 0 | 0 | 111.4 | |||||
| 166 | G | 26.3 | Very low | 31.1 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 110.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 167 | T | 26.6 | Very low | 31.1 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 136.7 | -178.7 | -41.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 168 | A | 25.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -178.5 | 113.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 169 | L | 28.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 52.3 | 106.6 | 129.7 | -92.8 | 142.6 | 0 | 0 | 0 | 120.7 | |||||
| 170 | K | 28.5 | Very low | 31.5 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | 144.4 | 115.7 | 116.8 | -79.6 | 179.6 | -178.5 | -176.8 | 0 | 113 | |||||
| 171 | S | 27.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 161.1 | 134.8 | 54.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 172 | P | 38.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | cis | -135.6 | 172.7 | 28.7 | 34.3 | -12.7 | 0 | 0 | 0 | 113.9 | ||||
| 173 | E | 28.2 | Very low | 31.9 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | 164.4 | 124.1 | 125.3 | -89.8 | 168.7 | -178 | 0 | 0 | 110.3 | |||||
| 174 | E | 37.5 | Very low | 31.8 | Very low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -67.3 | 124.3 | 163 | -60.9 | 178.8 | 155.6 | 0 | 0 | 107.1 | ||||
| 175 | E | 32.7 | Very low | 31.5 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -136.8 | 103 | 163.1 | -152.5 | 174 | -170.2 | 0 | 0 | 109.2 | L177 | E175-L177 PolarHBondContact O-N 3.46Š| ||
| 176 | E | 35.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 160.5 Ų | 160.5 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -55.9 | 109.5 | 163.3 | -67.2 | 177.6 | 137.8 | 0 | 0 | 109.2 | ||||
| 177 | L | 31.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 165.9 Ų | 165.9 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -124.2 | 100.8 | 158.1 | -73.9 | 178.1 | 0 | 0 | 0 | 110.9 | E175 | E175-L177 PolarHBondContact O-N 3.46Š| ||
| 178 | N | 28.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 166.4 Ų | 166.4 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -56.6 | 149.9 | 170.3 | -166.9 | 10.5 | 0 | 0 | 0 | 112.9 | ||||
| 179 | T | 34.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 168.2 Ų | 168.2 | 65% | 0.65 | 83% | 0.83 | S | S | * | * | trans | 52.7 | 106.7 | 150 | 45.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 180 | R | 33.5 | Very low | 32.1 | Very low | 239 Ų | 239 | 164.8 Ų | 164.8 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | 165.8 | 99.9 | 131 | -91 | 159.2 | -176.9 | -157.9 | 2.4 | 109.9 | ||||
| 181 | H | 28.1 | Very low | 32.8 | Very low | 199 Ų | 199 | 166 Ų | 166 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -173.2 | 71.6 | 142 | -111.5 | -73.7 | 0 | 0 | 0 | 109.3 | ||||
| 182 | L | 34.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 170.2 Ų | 170.2 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -139.1 | 103.3 | 162.2 | -157.8 | 110.4 | 0 | 0 | 0 | 105.1 | ||||
| 183 | L | 33.1 | Very low | 33.2 | Very low | 171 Ų | 171 | 169.7 Ų | 169.7 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | trans | 153.4 | 87.7 | 163.8 | -86.1 | 160.8 | 0 | 0 | 0 | 107.4 | ||||
| 184 | D | 27.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 166.7 Ų | 166.7 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -156.3 | 83.1 | 146.6 | -155.6 | 9.8 | 0 | 0 | 0 | 108.1 | ||||
| 185 | W | 26.9 | Very low | 33.5 | Very low | 253 Ų | 253 | 164 Ų | 164 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | -139.8 | 77 | 169.9 | -94.8 | 98.8 | 0 | 0 | 0 | 106.5 | ||||
| 186 | E | 32.5 | Very low | 33.8 | Very low | 180 Ų | 180 | 163.5 Ų | 163.5 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | -167.2 | 96.4 | 159.1 | -118.1 | 172.5 | -174.2 | 0 | 0 | 109.9 | ||||
| 187 | E | 31.5 | Very low | 33.9 | Very low | 192 Ų | 192 | 162.1 Ų | 162.1 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | 177.9 | 126.7 | 118.3 | -109.2 | -173 | 143.4 | 0 | 0 | 111.2 | |||||
| 188 | M | 32.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 163.1 Ų | 163.1 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | trans | -88.2 | 130.8 | 174.5 | -177 | -171.9 | 75.6 | 0 | 0 | 109.1 | ||||
| 189 | P | 36.2 | Very low | 35 | Very low | 124 Ų | 124 | 161.6 Ų | 161.6 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | trans | -90.4 | 113.7 | 157.4 | -0.6 | 19.2 | 0 | 0 | 0 | 109.5 | ||||
| 190 | S | 34 | Very low | 35.4 | Very low | 83 Ų | 83 | 165.8 Ų | 165.8 | 58% | 0.58 | 85% | 0.846 | S | S | * | * | trans | -48.7 | 142.6 | 166 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 191 | Y | 43.8 | Very low | 35.6 | Very low | 218 Ų | 218 | 164.2 Ų | 164.2 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | S | Bend | trans | 30.5 | 99.7 | 142.5 | -68 | -87.7 | 0 | 0 | 0 | 118.2 | ||
| 192 | Q | 38.8 | Very low | 36.1 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | trans | 164.3 | 105.7 | 133.6 | -94.1 | 172.4 | 44.7 | 0 | 0 | 108.9 | ||||
| 193 | A | 35.5 | Very low | 36.3 | Very low | 98 Ų | 98 | 160.3 Ų | 160.3 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 159.2 | 79.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 194 | S | 34.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 161.7 Ų | 161.7 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -177.3 | 50.9 | 153.7 | 37.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 195 | T | 38.1 | Very low | 37 | Very low | 140 Ų | 140 | 166.1 Ų | 166.1 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | trans | -125.1 | 52.9 | 162.8 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 196 | L | 37.8 | Very low | 37.3 | Very low | 158 Ų | 158 | 159.6 Ų | 159.6 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -149.5 | 66.5 | 169.7 | -88.9 | 174.5 | 0 | 0 | 0 | 108.6 | ||
| 197 | D | 37.6 | Very low | 37.3 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -160.9 | 15.9 | 159.7 | -118.4 | -9.2 | 0 | 0 | 0 | 116.1 | ||
| 198 | L | 42.3 | Very low | 37.2 | Very low | 174 Ų | 174 | 162.5 Ų | 162.5 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -125.1 | 8.9 | -177.3 | -93.2 | 134.2 | 0 | 0 | 0 | 115.7 | ||
| 199 | S | 42.4 | Very low | 37.3 | Very low | 101 Ų | 101 | 159.2 Ų | 159.2 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -94.4 | -3.5 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 200 | Q | 41.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 158.4 Ų | 158.4 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -98.5 | 7.9 | -176.9 | -81.6 | -169.7 | 8.6 | 0 | 0 | 116.7 | ||
| 201 | K | 39 | Very low | 37.4 | Very low | 207 Ų | 207 | 163.8 Ų | 163.8 | 90% | 0.9 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -122.2 | 19.2 | -177.1 | -137.8 | 172.3 | -174.1 | 171.9 | 0 | 116.1 | ||
| 202 | A | 37.4 | Very low | 37 | Very low | 94 Ų | 94 | 159.1 Ų | 159.1 | 78% | 0.777 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -119.4 | 8.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 203 | E | 40.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -117.2 | 30.7 | -174.4 | -111.7 | -177.4 | -175.5 | 0 | 0 | 115.1 | ||
| 204 | K | 41.9 | Very low | 37.1 | Very low | 200 Ų | 200 | 160.3 Ų | 160.3 | 87% | 0.87 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -135.4 | 76.1 | 166.9 | -87.6 | -177.5 | 177.4 | 172.9 | 0 | 110.2 | ||
| 205 | R | 32.5 | Very low | 37.4 | Very low | 243 Ų | 243 | 164 Ų | 164 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | trans | -179.7 | 50.8 | 153.6 | -102.4 | 169.8 | -162.4 | -167.9 | 6.8 | 113.2 | ||||
| 206 | C | 33.8 | Very low | 37.3 | Very low | 116 Ų | 116 | 165.9 Ų | 165.9 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | trans | -136.1 | 68.3 | 163.8 | -80.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 207 | Y | 33.2 | Very low | 37.4 | Very low | 236 Ų | 236 | 167.9 Ų | 167.9 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | trans | -157.3 | 86.1 | 150.2 | -80.6 | -68 | 0 | 0 | 0 | 108.8 | ||||
| 208 | Q | 29.4 | Very low | 37.7 | Very low | 197 Ų | 197 | 168.5 Ų | 168.5 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | -169.3 | 90.6 | 139.7 | -119.8 | 167.2 | 1 | 0 | 0 | 109.9 | ||||
| 209 | A | 32.8 | Very low | 37.6 | Very low | 93 Ų | 93 | 170.1 Ų | 170.1 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | trans | -75.4 | 130.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 210 | S | 32.9 | Very low | 37.2 | Very low | 106 Ų | 106 | 169 Ų | 169 | 74% | 0.741 | 85% | 0.852 | S | S | * | * | trans | -174.3 | 114.5 | 134.4 | -85.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 211 | K | 39.5 | Very low | 37.4 | Very low | 197 Ų | 197 | 170 Ų | 170 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | trans | 67.4 | 112 | 136 | -54.7 | -177.2 | -176.5 | -176.8 | 0 | 118.7 | ||||
| 212 | S | 36.4 | Very low | 37.6 | Very low | 120 Ų | 120 | 170 Ų | 170 | 84% | 0.839 | 85% | 0.853 | S | S | * | * | -153.3 | 136 | 122.4 | 51.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 213 | D | 42.3 | Very low | 37.7 | Very low | 151 Ų | 151 | 175.5 Ų | 175.5 | 81% | 0.807 | 86% | 0.86 | S | S | * | * | trans | -54.3 | 143 | -178.7 | -71.7 | -62.3 | 0 | 0 | 0 | 113.7 | ||||
| 214 | N | 34.4 | Very low | 37.5 | Very low | 169 Ų | 169 | 173.3 Ų | 173.3 | 90% | 0.904 | 86% | 0.859 | S | S | * | * | trans | -141.5 | 116.7 | 150.5 | -111 | -34.1 | 0 | 0 | 0 | 112.2 | Q216 | N214-Q216 PolarHBondContact O-N 2.9Š| ||
| 215 | K | 40.3 | Very low | 37.3 | Very low | 199 Ų | 199 | 173.5 Ų | 173.5 | 87% | 0.865 | 86% | 0.86 | S | S | * | * | trans | -68.3 | 119.3 | 178 | -69.4 | -178.7 | 175.4 | 179.2 | 0 | 110.1 | K217 | K215-K217 PolarHBondContact O-N 2.98Š| ||
| 216 | Q | 35.4 | Very low | 37.5 | Very low | 178 Ų | 178 | 166.4 Ų | 166.4 | 83% | 0.832 | 85% | 0.854 | S | S | * | * | trans | -69.3 | 117 | 168.7 | -172.9 | 173.7 | -1.7 | 0 | 0 | 109.9 | N214 | N214-Q216 PolarHBondContact O-N 2.9Š| ||
| 217 | K | 40.3 | Very low | 37.4 | Very low | 200 Ų | 200 | 169.3 Ų | 169.3 | 87% | 0.87 | 86% | 0.856 | S | S | * | * | trans | -112.3 | 107.6 | 164.2 | -94.8 | -176.3 | 176.6 | 175.6 | 0 | 109.3 | K215 | K215-K217 PolarHBondContact O-N 2.98Š| ||
| 218 | Q | 43.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 164.4 Ų | 164.4 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | trans | -62.4 | 131.2 | 159.4 | -73.6 | 179.2 | -19.2 | 0 | 0 | 109.3 | ||||
| 219 | K | 39.5 | Very low | 37.8 | Very low | 207 Ų | 207 | 163.4 Ų | 163.4 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -139.4 | 122.1 | 154.3 | -92.9 | -166.3 | 175.3 | -177 | 0 | 110.4 | ||||
| 220 | G | 34.7 | Very low | 37.9 | Very low | 79 Ų | 79 | 168 Ų | 168 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | trans | -69.2 | 154.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 221 | K | 44.8 | Very low | 37.8 | Very low | 215 Ų | 215 | 168.6 Ų | 168.6 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | trans | -74.6 | 120.9 | 166.9 | -66.6 | 176.3 | 176.3 | 176.8 | 0 | 108.5 | ||||
| 222 | K | 43.4 | Very low | 37.6 | Very low | 205 Ų | 205 | 163.8 Ų | 163.8 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -115.3 | 122.4 | 160.7 | -83.6 | -172.8 | 175.8 | -177.8 | 0 | 109.2 | ||||
| 223 | K | 41.1 | Very low | 37.3 | Very low | 210 Ų | 210 | 166.7 Ų | 166.7 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -66.3 | 140.1 | 164.8 | -73.6 | 171.4 | 170.5 | 175.2 | 0 | 108.7 | ||||
| 224 | T | 34.7 | Very low | 37 | Very low | 142 Ų | 142 | 165.4 Ų | 165.4 | 87% | 0.871 | 84% | 0.836 | S | S | * | * | trans | -142.6 | 131.6 | 155.3 | -29.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 225 | K | 39.3 | Very low | 37.4 | Very low | 205 Ų | 205 | 163.9 Ų | 163.9 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | trans | -112 | 129.2 | -176.4 | 178.4 | -170.9 | -176.1 | -174.3 | 0 | 106.7 | ||||
| 226 | A | 34.8 | Very low | 36.8 | Very low | 94 Ų | 94 | 158.1 Ų | 158.1 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -168.6 | 110 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 227 | Q | 33.6 | Very low | 36.8 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | 65.9 | 117.1 | 78 | -118.9 | -166.6 | -14 | 0 | 0 | 115.8 | |||||
| 228 | L | 36.7 | Very low | 36.6 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 70% | 0.696 | 83% | 0.832 | S | S | * | * | trans | 74.2 | 114 | 143.1 | -79.4 | 165.8 | 0 | 0 | 0 | 120.7 | ||||
| 229 | Q | 32.3 | Very low | 36.1 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | 170.1 | 154.5 | 99.4 | -85.8 | -112.4 | 11.4 | 0 | 0 | 113.7 | |||||
| 230 | K | 35.7 | Very low | 35.6 | Very low | 191 Ų | 191 | 156 Ų | 156 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | trans | -92.2 | 157.4 | -173.1 | -61.5 | 167.5 | 173.7 | 177.5 | 0 | 111.6 | ||||
| 231 | S | 30.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 163.9 Ų | 163.9 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | 153.4 | 143.1 | 146.5 | 52.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 232 | S | 36 | Very low | 34.6 | Very low | 96 Ų | 96 | 163.2 Ų | 163.2 | 67% | 0.671 | 84% | 0.841 | S | S | * | * | cis | 135.1 | 119.4 | -3.8 | 65.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 233 | H | 30.9 | Very low | 34.1 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | 82.6 | 124.4 | 157 | -60 | -65.7 | 0 | 0 | 0 | 122.7 | ||||
| 234 | T | 36 | Very low | 33.7 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 77% | 0.767 | 83% | 0.834 | S | S | * | * | trans | -45.9 | 167.1 | 157.8 | 43.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 235 | P | 42 | Very low | 33.5 | Very low | 136 Ų | 136 | 158 Ų | 158 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | -158.7 | -176.9 | 57.9 | 40.1 | -15.9 | 0 | 0 | 0 | 118.2 | |||||
| 236 | G | 27.7 | Very low | 33.5 | Very low | 78 Ų | 78 | 157.5 Ų | 157.5 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | 144.2 | 82.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 237 | V | 34.8 | Very low | 33.3 | Very low | 131 Ų | 131 | 160.5 Ų | 160.5 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 136.2 | 165.7 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 238 | K | 37.6 | Very low | 33.3 | Very low | 211 Ų | 211 | 160.2 Ų | 160.2 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -151.5 | 126.4 | 144.2 | -69.6 | -162.5 | 179.6 | 172.5 | 0 | 112.5 | ||||
| 239 | Q | 32.3 | Very low | 33 | Very low | 192 Ų | 192 | 159.9 Ų | 159.9 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -74.5 | 147.4 | 171.2 | -73.8 | 170.2 | -16.5 | 0 | 0 | 111.6 | ||||
| 240 | M | 29.8 | Very low | 32.8 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -107.1 | 130.7 | 168.7 | -93 | -91.3 | 179.9 | 0 | 0 | 109.9 | ||||
| 241 | R | 31.3 | Very low | 32.8 | Very low | 245 Ų | 245 | 155.5 Ų | 155.5 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139.5 | 176.2 | -65.1 | 173.8 | 175.7 | -175.4 | -3.3 | 110.5 | ||
| 242 | H | 27.1 | Very low | 32.9 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 93% | 0.931 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 123.1 | 166.5 | -73.8 | -70.6 | 0 | 0 | 0 | 110.2 | ||
| 243 | S | 32.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 138.9 | 170.8 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 244 | A | 31.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 156.4 Ų | 156.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 148.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 245 | R | 30.7 | Very low | 32.4 | Very low | 229 Ų | 229 | 158.5 Ų | 158.5 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | -151.6 | 129.4 | 153.8 | -164 | 174.4 | 177 | -165.9 | -4 | 110.8 | ||||
| 246 | K | 39.1 | Very low | 31.7 | Very low | 194 Ų | 194 | 154.9 Ų | 154.9 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -76.5 | 157.7 | 175.8 | -65.4 | 175.1 | 168.5 | -175.5 | 0 | 112.4 | ||||
| 247 | E | 30.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 156.2 Ų | 156.2 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | 169.6 | 108.4 | 132.1 | -100.8 | 175.5 | 130.5 | 0 | 0 | 108.1 | ||||
| 248 | E | 33.3 | Very low | 31.6 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | 61.8 | 105.8 | 88.6 | -79.6 | -163.4 | 125.2 | 0 | 0 | 114.3 | |||||
| 249 | T | 31.7 | Very low | 31.3 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | 97.2 | 114.3 | 85.2 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 250 | G | 27.4 | Very low | 31.4 | Very low | 77 Ų | 77 | 153.6 Ų | 153.6 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -160.7 | 125.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 251 | K | 36.8 | Very low | 31.6 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 147.1 | -161.3 | -67.4 | 175.7 | 175.1 | -176.7 | 0 | 115.6 | ||||
| 252 | V | 30.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | 20.2 | 123.7 | 134.8 | -171.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 253 | L | 32.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | -138.4 | 128.6 | 137.2 | -79.8 | 175.3 | 0 | 0 | 0 | 109.3 | ||||
| 254 | S | 33.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -76.3 | 144.2 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 255 | D | 27.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -148.8 | 131.8 | 151 | -165.2 | 13.6 | 0 | 0 | 0 | 109.3 | ||||
| 256 | G | 27.7 | Very low | 32.3 | Very low | 60 Ų | 60 | 144.7 Ų | 144.7 | 62% | 0.619 | 80% | 0.802 | S | S | * | * | trans | -87.5 | 154 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 257 | C | 28.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 72% | 0.716 | 80% | 0.797 | S | S | * | * | trans | -163.8 | 99.2 | 146.3 | -96.5 | 0 | 0 | 0 | 0 | 108.2 | Y259 | C257-Y259 HydrophobicContact CB-CD2 4.44Å; C257-Y259 HydrophobicContact CB-CE2 4.16Å | ||
| 258 | D | 32.3 | Very low | 32 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -67.9 | 122.8 | 161.3 | -82.7 | -41.8 | 0 | 0 | 0 | 109.3 | ||||
| 259 | Y | 31.1 | Very low | 31.8 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -122.6 | 103.1 | 155.3 | -73.7 | -77.4 | 0 | 0 | 0 | 108 | C257 L261 | C257-Y259 HydrophobicContact CB-CD2 4.44Å; C257-Y259 HydrophobicContact CB-CE2 4.16Å; Y259-L261 PolarHBondContact O-N 2.96Å | ||
| 260 | S | 35.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 108.3 | 166.9 | 61 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 261 | L | 34 | Very low | 31.7 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 102.9 | 160.5 | -97.6 | 147.4 | 0 | 0 | 0 | 107.5 | Y259 S263 | Y259-L261 PolarHBondContact O-N 2.96Å; L261-S263 PolarHBondContact O-N 3.39Å; L261-S263 VanDerWaalsContact O-N 3.13Å | ||
| 262 | V | 30 | Very low | 31.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | trans | -50.7 | 114 | 163.2 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | D264 | V262-D264 PolarHBondContact O-N 3.26Š| ||
| 263 | S | 34 | Very low | 31.4 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -80.3 | 108.8 | 175 | -170 | 0 | 0 | 0 | 0 | 107.8 | L261 Q265 | L261-S263 PolarHBondContact O-N 3.39Å; L261-S263 VanDerWaalsContact O-N 3.13Å; S263-Q265 PolarHBondContact O-N 3.4Å | ||
| 264 | D | 30.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -59.1 | 121.4 | 168.6 | -94.3 | -22.6 | 0 | 0 | 0 | 109.6 | V262 N266 | V262-D264 PolarHBondContact O-N 3.26Å; D264-N266 PolarHBondContact O-N 2.88Å | ||
| 265 | Q | 38.1 | Very low | 31.1 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -66.2 | 92.1 | 168.8 | -70.5 | 169.4 | -9.2 | 0 | 0 | 108.4 | S263 | S263-Q265 PolarHBondContact O-N 3.4Š|
| 266 | N | 34.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -174 | 36.3 | 156.7 | -89.2 | -22.8 | 0 | 0 | 0 | 113 | D264 | D264-N266 PolarHBondContact O-N 2.88Š| ||
| 267 | S | 29.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -90.8 | 112.2 | 170.7 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | Q269 | S267-Q269 PolarHBondContact O-N 3.38Š| ||
| 268 | L | 34 | Very low | 31.7 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | trans | -58.9 | 96.8 | 169.4 | -86.1 | 160.1 | 0 | 0 | 0 | 109.4 | S270 | L268-S270 PolarHBondContact O-N 3.31Š| ||
| 269 | Q | 29.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -72.3 | 108.2 | 170.6 | -69.5 | -169.5 | -9.4 | 0 | 0 | 109 | S267 T271 | S267-Q269 PolarHBondContact O-N 3.38Å; Q269-T271 PolarHBondContact O-N 3Å | ||
| 270 | S | 27.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -89.6 | 92.8 | 166.4 | -156.9 | 0 | 0 | 0 | 0 | 108.1 | L268 | L268-S270 PolarHBondContact O-N 3.31Š| ||
| 271 | T | 28.4 | Very low | 31.4 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | trans | -83.5 | 111.6 | 177.1 | 6.5 | 0 | 0 | 0 | 0 | 109.5 | Q269 | Q269-T271 PolarHBondContact O-N 3Š| ||
| 272 | M | 27.2 | Very low | 31.2 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | trans | -84.7 | 108.3 | 170.1 | -122.1 | -168.3 | 174.8 | 0 | 0 | 108.5 | ||||
| 273 | I | 33.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 147 Ų | 147 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 118 | 168.6 | -57.8 | 176.1 | 0 | 0 | 0 | 106.5 | ||
| 274 | A | 30 | Very low | 31.1 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 123.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q276 | A274-Q276 PolarHBondContact O-N 3.48Š|
| 275 | D | 30.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.8 | -176.9 | -68.1 | -37.6 | 0 | 0 | 0 | 111.9 | ||
| 276 | Q | 35.3 | Very low | 30.7 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 131.6 | 168.1 | -67.1 | 176.1 | 19.2 | 0 | 0 | 109 | A274 | A274-Q276 PolarHBondContact O-N 3.48Š|
| 277 | S | 30.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -126.6 | 141.4 | 159.1 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 278 | L | 29.1 | Very low | 30.4 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -107.5 | 149.3 | -158 | 179.8 | 90.6 | 0 | 0 | 0 | 109.7 | ||||
| 279 | A | 29.3 | Very low | 30.2 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | 113.3 | 110.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 280 | K | 33.8 | Very low | 30.2 | Very low | 187 Ų | 187 | 142 Ų | 142 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 79.2 | 116.6 | 142 | -56.4 | -164.3 | -178.4 | -160 | 0 | 119.9 | ||||
| 281 | E | 29.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 59.7 | 125.9 | 82.2 | -81.8 | 172.1 | 164.5 | 0 | 0 | 111.9 | |||||
| 282 | D | 29.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 80% | 0.796 | S | S | * | * | cis | -166.6 | 160.2 | 25.3 | -102.3 | -34.8 | 0 | 0 | 0 | 113.6 | ||||
| 283 | H | 29.4 | Very low | 30.6 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 59.1 | 110 | 151.7 | -55.9 | -40.1 | 0 | 0 | 0 | 125.6 | ||||
| 284 | A | 32.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | 56 | 109.6 | 124.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 285 | S | 27.1 | Very low | 30.3 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 157.8 | 127.4 | 150.1 | 173.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 286 | S | 32.1 | Very low | 30.2 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -161.9 | 143.9 | 32.3 | 41.5 | 0 | 0 | 0 | 0 | 108.3 | E288 | S286-E288 PolarHBondContact O-N 3.25Š| ||
| 287 | N | 28.6 | Very low | 30.2 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 117 | 166.1 | -79.4 | -50.6 | 0 | 0 | 0 | 109.9 | ||||
| 288 | E | 30.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -126.9 | 99 | 159.7 | -159.5 | 169.3 | -166.9 | 0 | 0 | 108 | S286 | S286-E288 PolarHBondContact O-N 3.25Š| ||
| 289 | S | 29.8 | Very low | 30.6 | Very low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -111.8 | 123.7 | 164.2 | -70.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 290 | H | 29.1 | Very low | 31 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | 174.8 | 127.7 | 107.8 | -80.1 | -52.7 | 0 | 0 | 0 | 110.3 | |||||
| 291 | S | 25.7 | Very low | 31.9 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | 143.3 | 147.2 | 113 | -165.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 292 | S | 28.2 | Very low | 33.5 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 78 | 89 | 151.1 | -177.4 | 0 | 0 | 0 | 0 | 118.5 | Q294 | S292-Q294 PolarHBondContact O-N 3.03Š| ||
| 293 | R | 36.9 | Very low | 34.8 | Very low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | 29 | 84.6 | 118.4 | -162.8 | -175.7 | -163.8 | -160 | 5.5 | 114.8 | |||||
| 294 | Q | 28.5 | Very low | 37 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -126.7 | 120.8 | 156 | -149.5 | 155 | 21.9 | 0 | 0 | 108 | S292 V296 | S292-Q294 PolarHBondContact O-N 3.03Å; Q294-V296 PolarHBondContact O-N 3.48Å | ||
| 295 | A | 29.5 | Very low | 38.6 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -48 | 119.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | I297 | A295-I297 HydrophobicContact CB-CG1 4.37Å; A295-I297 PolarHBondContact O-N 3.36Å | ||
| 296 | V | 29.5 | Very low | 40.4 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -66.2 | 78.3 | 166.6 | 179.1 | 0 | 0 | 0 | 0 | 105.6 | Q294 N298 | Q294-V296 PolarHBondContact O-N 3.48Å; V296-N298 PolarHBondContact O-N 3.02Å; V296-N298 VanDerWaalsContact O-N 3.14Å | ||
| 297 | I | 35.1 | Very low | 42.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 55% | 0.554 | 72% | 0.722 | S | S | * | * | trans | -61.6 | 113.4 | 160.5 | -59.6 | 177.8 | 0 | 0 | 0 | 102.8 | A295 R299 | A295-I297 HydrophobicContact CB-CG1 4.37Å; A295-I297 PolarHBondContact O-N 3.36Å; I297-R299 HydrophobicContact CB-CG 4.19Å; I297-R299 HydrophobicContact CG2-CG 3.57Å; I297-R299 PolarHBondContact O-N 2.9Å | ||
| 298 | N | 31.7 | Very low | 44.5 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -55.7 | 78.4 | 168.5 | -70.9 | -53.2 | 0 | 0 | 0 | 109.5 | V296 G300 | V296-N298 PolarHBondContact O-N 3.02Å; V296-N298 VanDerWaalsContact O-N 3.14Å; N298-G300 VanDerWaalsContact C-N 3.33Å | ||
| 299 | R | 34.6 | Very low | 46.4 | Very low | 221 Ų | 221 | 134.8 Ų | 134.8 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | trans | -100.2 | 26.9 | 169.3 | -64 | -165.5 | 178.2 | -122.4 | 3.1 | 110.8 | I297 | I297-R299 HydrophobicContact CB-CG 4.19Å; I297-R299 HydrophobicContact CG2-CG 3.57Å; I297-R299 PolarHBondContact O-N 2.9Å | ||
| 300 | G | 39.4 | Very low | 48.3 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -111.7 | -20.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N298 | N298-G300 VanDerWaalsContact C-N 3.33Š|
| 301 | R | 52.8 | Low | 50.3 | Low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -108.9 | 101.8 | 175.5 | -66.8 | -171.5 | -174.8 | -151 | 0.2 | 108 | Q303 | R301-Q303 PolarHBondContact O-N 3.43Š|
| 302 | K | 62.1 | Low | 52.6 | Low | 200 Ų | 200 | 128.7 Ų | 128.7 | 87% | 0.87 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 126.7 | 165.2 | -68.6 | 179.4 | 178 | -179.1 | 0 | 106.7 | K304 | K302-K304 PolarHBondContact O-N 3.32Å; K302-K304 VanDerWaalsContact O-N 3.15Å |
| 303 | Q | 57.6 | Low | 54.7 | Low | 137 Ų | 137 | 128.5 Ų | 128.5 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 124.3 | 174.1 | -171.7 | 163.5 | -5.6 | 0 | 0 | 106.9 | R301 I305 E307 T308 | R301-Q303 PolarHBondContact O-N 3.43Å; Q303-I305 PolarHBondContact O-N 3.09Å; Q303-E307 PolarHBondContact NE2-O 2.98Å; Q303-T308 HydrophobicContact CG-CG2 4.25Å |
| 304 | K | 75.3 | Confident | 56.3 | Low | 101 Ų | 101 | 120.2 Ų | 120.2 | 44% | 0.439 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 132.2 | 179.9 | -74.8 | 148.1 | 157.9 | -148.7 | 0 | 106.8 | K302 Y306 E307 | K302-K304 PolarHBondContact O-N 3.32Å; K302-K304 VanDerWaalsContact O-N 3.15Å; K304-Y306 HydrophobicContact CB-CD1 3.97Å; K304-Y306 HydrophobicContact CB-CD2 3.98Å; K304-Y306 HydrophobicContact CB-CE1 3.61Å; K304-Y306 HydrophobicContact CB-CE2 3.58Å; K304-Y306 HydrophobicContact CB-CG 4.18Å; K304-Y306 VanDerWaalsContact CB-CZ 3.42Å; K304-Y306 HydrophobicContact CD-CE1 4.29Å; K304-Y306 HydrophobicContact CD-CE2 3.65Å; K304-Y306 VanDerWaalsContact CD-CZ 3.4Å; K304-Y306 WeakPolarHBondContact CD-OH 3.49Å; K304-Y306 WeakPolarHBondContact CE-OH 3.45Å; K304-Y306 HydrophobicContact CG-CE1 3.9Å; K304-Y306 HydrophobicContact CG-CE2 4.02Å; K304-Y306 WeakPolarHBondContact CG-OH 3.46Å; K304-Y306 PolarHBondContact NZ-OH 3.08Å; K304-Y306 PolarHBondContact O-N 3.47Å; K304-E307 HydrophobicContact CB-CG 4.06Å; K304-E307 WeakPolarHBondContact CD-OE1 3.33Å; K304-E307 IonicContact NZ-OE1 2.65Å; K304-E307 WeakPolarHBondContact O-CB 3.34Å; K304-E307 PolarHBondContact O-N 3.1Å |
| 305 | I | 67.2 | Low | 58.5 | Low | 97 Ų | 97 | 116 Ų | 116 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -56 | -30.1 | -175 | -60.3 | 170.9 | 0 | 0 | 0 | 110.5 | Q303 E307 T308 F311 Y324 | Q303-I305 PolarHBondContact O-N 3.09Å; I305-E307 VanDerWaalsContact C-N 3.27Å; I305-E307 PolarHBondContact O-N 3.34Å; I305-T308 PolarHBondContact O-N 3.3Å; I305-T308 PolarHBondContact O-OG1 2.97Å; I305-F311 HydrophobicContact CG2-CD2 3.98Å; I305-F311 WeakPolarHBondContact O-CB 3.36Å; I305-F311 WeakPolarHBondContact O-CG 3.29Å; I305-Y324 HydrophobicContact CG2-CD2 4.15Å; I305-Y324 HydrophobicContact CG2-CE1 4.23Å; I305-Y324 HydrophobicContact CG2-CE2 3.79Å |
| 306 | Y | 64.8 | Low | 60.5 | Low | 125 Ų | 125 | 118 Ų | 118 | 49% | 0.49 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -75.8 | -5.7 | 176.8 | 52.6 | -99.5 | 0 | 0 | 0 | 116.3 | K304 F311 | K304-Y306 HydrophobicContact CB-CD1 3.97Å; K304-Y306 HydrophobicContact CB-CD2 3.98Å; K304-Y306 HydrophobicContact CB-CE1 3.61Å; K304-Y306 HydrophobicContact CB-CE2 3.58Å; K304-Y306 HydrophobicContact CB-CG 4.18Å; K304-Y306 VanDerWaalsContact CB-CZ 3.42Å; K304-Y306 HydrophobicContact CD-CE1 4.29Å; K304-Y306 HydrophobicContact CD-CE2 3.65Å; K304-Y306 VanDerWaalsContact CD-CZ 3.4Å; K304-Y306 WeakPolarHBondContact CD-OH 3.49Å; K304-Y306 WeakPolarHBondContact CE-OH 3.45Å; K304-Y306 HydrophobicContact CG-CE1 3.9Å; K304-Y306 HydrophobicContact CG-CE2 4.02Å; K304-Y306 WeakPolarHBondContact CG-OH 3.46Å; K304-Y306 PolarHBondContact NZ-OH 3.08Å; K304-Y306 PolarHBondContact O-N 3.47Å; Y306-F311 VanDerWaalsContact CA-CD1 3.4Å |
| 307 | E | 73.1 | Confident | 62.2 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -104.2 | 9.1 | 176.5 | -62 | 173.4 | -175.3 | 0 | 0 | 111.5 | Q303 K304 I305 | Q303-E307 PolarHBondContact NE2-O 2.98Å; K304-E307 HydrophobicContact CB-CG 4.06Å; K304-E307 WeakPolarHBondContact CD-OE1 3.33Å; K304-E307 IonicContact NZ-OE1 2.65Å; K304-E307 WeakPolarHBondContact O-CB 3.34Å; K304-E307 PolarHBondContact O-N 3.1Å; I305-E307 VanDerWaalsContact C-N 3.27Å; I305-E307 PolarHBondContact O-N 3.34Å |
| 308 | T | 73.4 | Confident | 63.5 | Low | 33 Ų | 33 | 119.6 Ų | 119.6 | 20% | 0.202 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -90.8 | 138.1 | 171.5 | 62.5 | 0 | 0 | 0 | 0 | 110 | Q303 I305 E310 F311 I312 | Q303-T308 HydrophobicContact CG-CG2 4.25Å; I305-T308 PolarHBondContact O-N 3.3Å; I305-T308 PolarHBondContact O-OG1 2.97Å; T308-E310 PolarHBondContact O-N 3.46Å; T308-F311 PolarHBondContact O-N 3.2Å; T308-F311 WeakPolarHBondContact OG1-CB 3.48Å; T308-F311 PolarHBondContact OG1-N 3.46Å; T308-I312 PolarHBondContact O-N 3.01Å; T308-I312 VanDerWaalsContact O-N 3.16Å |
| 309 | D | 70.4 | Confident | 64.8 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 68% | 0.684 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.3 | -33.5 | 175.7 | -63.2 | -30.7 | 0 | 0 | 0 | 110.7 | F311 I312 D313 | D309-F311 PolarHBondContact O-N 3.47Å; D309-I312 PolarHBondContact O-N 3.4Å; D309-D313 VanDerWaalsContact O-CB 3.28Å; D309-D313 WeakPolarHBondContact O-CB 3.47Å; D309-D313 PolarHBondContact O-N 3.42Å |
| 310 | E | 68.9 | Low | 66 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | 174.4 | -65.5 | 175.8 | -169.6 | 0 | 0 | 114 | T308 Y314 | T308-E310 PolarHBondContact O-N 3.46Å; E310-Y314 WeakPolarHBondContact O-CB 3.34Å; E310-Y314 PolarHBondContact O-N 3.41Å |
| 311 | F | 72.1 | Confident | 66.8 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 25% | 0.246 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 175.7 | 173.9 | -85.1 | 0 | 0 | 0 | 111.2 | I305 Y306 T308 D309 D313 Y314 L315 Y324 | I305-F311 HydrophobicContact CG2-CD2 3.98Å; I305-F311 WeakPolarHBondContact O-CB 3.36Å; I305-F311 WeakPolarHBondContact O-CG 3.29Å; Y306-F311 VanDerWaalsContact CA-CD1 3.4Å; T308-F311 PolarHBondContact O-N 3.2Å; T308-F311 WeakPolarHBondContact OG1-CB 3.48Å; T308-F311 PolarHBondContact OG1-N 3.46Å; D309-F311 PolarHBondContact O-N 3.47Å; F311-D313 VanDerWaalsContact C-N 3.33Å; F311-Y314 PolarHBondContact O-N 2.81Å; F311-L315 HydrophobicContact CE1-CD1 4.12Å; F311-L315 HydrophobicContact CZ-CD1 4.06Å; F311-L315 WeakPolarHBondContact O-CB 3.5Å; F311-L315 PolarHBondContact O-N 2.88Å; F311-Y324 VanDerWaalsContact CD2-OH 3.25Å; F311-Y324 WeakPolarHBondContact CD2-OH 3.29Å |
| 312 | I | 74.8 | Confident | 67.2 | Low | 75 Ų | 75 | 105 Ų | 105 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.6 | -62.1 | 171.3 | 0 | 0 | 0 | 109.5 | T308 D309 Y314 L315 L316 | T308-I312 PolarHBondContact O-N 3.01Å; T308-I312 VanDerWaalsContact O-N 3.16Å; D309-I312 PolarHBondContact O-N 3.4Å; I312-Y314 VanDerWaalsContact C-N 3.35Å; I312-Y314 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.32Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å |
| 313 | D | 71.6 | Confident | 67 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 176.1 | -76.2 | -18.4 | 0 | 0 | 0 | 111.8 | D309 F311 N317 | D309-D313 VanDerWaalsContact O-CB 3.28Å; D309-D313 WeakPolarHBondContact O-CB 3.47Å; D309-D313 PolarHBondContact O-N 3.42Å; F311-D313 VanDerWaalsContact C-N 3.33Å; D313-N317 WeakPolarHBondContact O-CA 2.99Å; D313-N317 VanDerWaalsContact O-CB 3.23Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.23Å |
| 314 | Y | 69.6 | Low | 67.2 | Low | 74 Ų | 74 | 99.6 Ų | 99.6 | 29% | 0.29 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 172.5 | 171.9 | -109.7 | 0 | 0 | 0 | 112.6 | E310 F311 I312 L316 N317 Q320 T321 P322 | E310-Y314 WeakPolarHBondContact O-CB 3.34Å; E310-Y314 PolarHBondContact O-N 3.41Å; F311-Y314 PolarHBondContact O-N 2.81Å; I312-Y314 VanDerWaalsContact C-N 3.35Å; I312-Y314 PolarHBondContact O-N 2.94Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 3.13Å; Y314-N317 CarbonylContact O-C 3.41Å; Y314-Q320 VanDerWaalsContact CD2-O 3.27Å; Y314-Q320 WeakPolarHBondContact CD2-O 3.5Å; Y314-T321 HydrophobicContact CE2-CG2 4.19Å; Y314-P322 HydrophobicContact CD2-CG 4.31Å; Y314-P322 HydrophobicContact CG-CG 4.11Å |
| 315 | L | 74.9 | Confident | 66.4 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 47% | 0.466 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | -179.5 | -153.2 | 97.2 | 0 | 0 | 0 | 111.9 | F311 I312 Y318 | F311-L315 HydrophobicContact CE1-CD1 4.12Å; F311-L315 HydrophobicContact CZ-CD1 4.06Å; F311-L315 WeakPolarHBondContact O-CB 3.5Å; F311-L315 PolarHBondContact O-N 2.88Å; I312-L315 PolarHBondContact O-N 3.32Å; L315-Y318 WeakPolarHBondContact O-CE2 3.44Å |
| 316 | L | 72.6 | Confident | 66 | Low | 122 Ų | 122 | 98.6 Ų | 98.6 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -89.1 | -30.2 | -178.7 | -65.7 | 173.9 | 0 | 0 | 0 | 112.5 | I312 Y314 | I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 3.13Å |
| 317 | N | 65.6 | Low | 65.4 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | trans | -120.6 | 81.6 | -179.9 | -60.7 | -51.5 | 0 | 0 | 0 | 110.5 | D313 Y314 Y319 | D313-N317 WeakPolarHBondContact O-CA 2.99Å; D313-N317 VanDerWaalsContact O-CB 3.23Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.23Å; Y314-N317 CarbonylContact O-C 3.41Å; N317-Y319 PolarHBondContact O-N 2.78Å | ||
| 318 | Y | 61.4 | Low | 64.1 | Low | 166 Ų | 166 | 100.8 Ų | 100.8 | 65% | 0.651 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 43.8 | 179.2 | -78 | -89.4 | 0 | 0 | 0 | 116.3 | L315 | L315-Y318 WeakPolarHBondContact O-CE2 3.44Š|
| 319 | Y | 58.6 | Low | 62.8 | Low | 162 Ų | 162 | 105.8 Ų | 105.8 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | -0.3 | -174.5 | -65.8 | -74.9 | 0 | 0 | 0 | 115.8 | N317 | N317-Y319 PolarHBondContact O-N 2.78Š|
| 320 | Q | 59.6 | Low | 61.4 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | trans | -150.8 | 117.4 | 168.1 | -125.7 | 159.3 | -3.4 | 0 | 0 | 111.4 | Y314 P322 | Y314-Q320 VanDerWaalsContact CD2-O 3.27Å; Y314-Q320 WeakPolarHBondContact CD2-O 3.5Å; Q320-P322 WeakPolarHBondContact O-CD 3.49Å | ||
| 321 | T | 56.8 | Low | 60.5 | Low | 69 Ų | 69 | 106.3 Ų | 106.3 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | trans | -58.8 | 120.6 | 170.5 | 10.3 | 0 | 0 | 0 | 0 | 108 | Y314 A325 R326 | Y314-T321 HydrophobicContact CE2-CG2 4.19Å; T321-A325 HydrophobicContact CG2-CB 3.98Å; T321-R326 PolarHBondContact O-NE 3.06Å; T321-R326 PolarHBondContact O-NH2 3.36Å | ||
| 322 | P | 60.4 | Low | 59.2 | Low | 17 Ų | 17 | 106.8 Ų | 106.8 | 11% | 0.11 | 54% | 0.54 | C | S | . | . | trans | -63.4 | 155.9 | 179 | 24.3 | -32.8 | 0 | 0 | 0 | 109.6 | Y314 Q320 Y324 A325 R326 | Y314-P322 HydrophobicContact CD2-CG 4.31Å; Y314-P322 HydrophobicContact CG-CG 4.11Å; Q320-P322 WeakPolarHBondContact O-CD 3.49Å; P322-Y324 HydrophobicContact CB-CD1 3.57Å; P322-Y324 HydrophobicContact CB-CE1 3.33Å; P322-Y324 HydrophobicContact CB-CG 4.44Å; P322-Y324 HydrophobicContact CG-CD1 3.66Å; P322-Y324 HydrophobicContact CG-CD2 4.44Å; P322-Y324 HydrophobicContact CG-CE1 3.03Å; P322-Y324 HydrophobicContact CG-CE2 3.91Å; P322-Y324 HydrophobicContact CG-CG 4.31Å; P322-Y324 VanDerWaalsContact CG-OH 3.26Å; P322-Y324 WeakPolarHBondContact CG-OH 3.38Å; P322-Y324 PolarHBondContact O-N 3.03Å; P322-Y324 VanDerWaalsContact O-N 3.09Å; P322-A325 HydrophobicContact CG-CB 4.11Å; P322-A325 WeakPolarHBondContact O-CA 3.12Å; P322-A325 WeakPolarHBondContact O-CB 3.41Å; P322-A325 PolarHBondContact O-N 3.23Å; P322-R326 PolarHBondContact O-N 3.45Å | ||
| 323 | E | 59.2 | Low | 57.8 | Low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.4 | -35.3 | -174.5 | -68.6 | -177.2 | 171.6 | 0 | 0 | 112.2 | A325 R326 F327 | E323-A325 PolarHBondContact O-N 3.48Å; E323-R326 PolarHBondContact O-N 2.93Å; E323-R326 VanDerWaalsContact O-N 3.14Å; E323-F327 WeakPolarHBondContact O-CD2 3.48Å; E323-F327 VanDerWaalsContact O-CE2 3.24Å; E323-F327 WeakPolarHBondContact O-CE2 3.35Å |
| 324 | Y | 60.5 | Low | 56.5 | Low | 77 Ų | 77 | 114 Ų | 114 | 30% | 0.302 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -28.7 | 175.8 | 74 | -103.7 | 0 | 0 | 0 | 113.8 | I305 F311 P322 | I305-Y324 HydrophobicContact CG2-CD2 4.15Å; I305-Y324 HydrophobicContact CG2-CE1 4.23Å; I305-Y324 HydrophobicContact CG2-CE2 3.79Å; F311-Y324 VanDerWaalsContact CD2-OH 3.25Å; F311-Y324 WeakPolarHBondContact CD2-OH 3.29Å; P322-Y324 HydrophobicContact CB-CD1 3.57Å; P322-Y324 HydrophobicContact CB-CE1 3.33Å; P322-Y324 HydrophobicContact CB-CG 4.44Å; P322-Y324 HydrophobicContact CG-CD1 3.66Å; P322-Y324 HydrophobicContact CG-CD2 4.44Å; P322-Y324 HydrophobicContact CG-CE1 3.03Å; P322-Y324 HydrophobicContact CG-CE2 3.91Å; P322-Y324 HydrophobicContact CG-CG 4.31Å; P322-Y324 VanDerWaalsContact CG-OH 3.26Å; P322-Y324 WeakPolarHBondContact CG-OH 3.38Å; P322-Y324 PolarHBondContact O-N 3.03Å; P322-Y324 VanDerWaalsContact O-N 3.09Å |
| 325 | A | 59.6 | Low | 55.3 | Low | 34 Ų | 34 | 116.7 Ų | 116.7 | 28% | 0.281 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -89.6 | -12.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T321 P322 E323 F327 | T321-A325 HydrophobicContact CG2-CB 3.98Å; P322-A325 HydrophobicContact CG-CB 4.11Å; P322-A325 WeakPolarHBondContact O-CA 3.12Å; P322-A325 WeakPolarHBondContact O-CB 3.41Å; P322-A325 PolarHBondContact O-N 3.23Å; E323-A325 PolarHBondContact O-N 3.48Å; A325-F327 VanDerWaalsContact C-N 3.31Å |
| 326 | R | 59.2 | Low | 54 | Low | 143 Ų | 143 | 117 Ų | 117 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -80.4 | -15 | 174 | -59.7 | -175.8 | -156.1 | 177.2 | 10 | 112.5 | T321 P322 E323 C328 | T321-R326 PolarHBondContact O-NE 3.06Å; T321-R326 PolarHBondContact O-NH2 3.36Å; P322-R326 PolarHBondContact O-N 3.45Å; E323-R326 PolarHBondContact O-N 2.93Å; E323-R326 VanDerWaalsContact O-N 3.14Å; R326-C328 PolarHBondContact O-N 3.1Å |
| 327 | F | 51.4 | Low | 53 | Low | 157 Ų | 157 | 116.3 Ų | 116.3 | 69% | 0.689 | 61% | 0.607 | S | S | * | * | trans | -76.4 | 55.4 | 165.9 | -57.3 | -79.1 | 0 | 0 | 0 | 111 | E323 A325 L329 | E323-F327 WeakPolarHBondContact O-CD2 3.48Å; E323-F327 VanDerWaalsContact O-CE2 3.24Å; E323-F327 WeakPolarHBondContact O-CE2 3.35Å; A325-F327 VanDerWaalsContact C-N 3.31Å; F327-L329 PolarHBondContact O-N 3.24Å | ||
| 328 | C | 45.8 | Very low | 52.4 | Low | 115 Ų | 115 | 113.5 Ų | 113.5 | 78% | 0.777 | 60% | 0.595 | S | S | * | * | trans | -67 | 99.3 | 148 | -72.7 | 0 | 0 | 0 | 0 | 104.4 | R326 E330 | R326-C328 PolarHBondContact O-N 3.1Å; C328-E330 PolarHBondContact O-N 3.44Å | ||
| 329 | L | 46.8 | Very low | 52.9 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 72% | 0.723 | 59% | 0.59 | S | S | * | * | trans | -51.7 | 112.1 | 169.6 | -72.3 | 165.8 | 0 | 0 | 0 | 106.4 | F327 A331 | F327-L329 PolarHBondContact O-N 3.24Å; L329-A331 PolarHBondContact O-N 3.1Å | ||
| 330 | E | 40.3 | Very low | 53.8 | Low | 166 Ų | 166 | 110.5 Ų | 110.5 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | trans | -42.1 | 126.5 | 156 | -169.2 | 165.9 | -164.1 | 0 | 0 | 106 | C328 S332 | C328-E330 PolarHBondContact O-N 3.44Å; E330-S332 PolarHBondContact O-N 2.97Å; E330-S332 PolarHBondContact O-OG 3.45Å | ||
| 331 | A | 49.8 | Very low | 54.6 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -71.7 | 47.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L329 H333 | L329-A331 PolarHBondContact O-N 3.1Å; A331-H333 PolarHBondContact O-N 2.89Å | ||
| 332 | S | 44.5 | Very low | 55.8 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | trans | -91.3 | 95.7 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | E330 L334 | E330-S332 PolarHBondContact O-N 2.97Å; E330-S332 PolarHBondContact O-OG 3.45Å; S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 3.24Å | ||
| 333 | H | 46.8 | Very low | 56.8 | Low | 183 Ų | 183 | 114.1 Ų | 114.1 | 85% | 0.847 | 59% | 0.59 | S | S | * | * | trans | 48.5 | 32.5 | 147.5 | -47.7 | -70.5 | 0 | 0 | 0 | 119.1 | A331 T335 | A331-H333 PolarHBondContact O-N 2.89Å; H333-T335 PolarHBondContact O-N 3.39Å | ||
| 334 | L | 43 | Very low | 58 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | trans | -80 | 107.2 | 155.1 | -76.2 | 162.5 | 0 | 0 | 0 | 106.8 | S332 S336 | S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 3.24Å; L334-S336 PolarHBondContact O-N 3.35Å | ||
| 335 | T | 44.5 | Very low | 59 | Low | 131 Ų | 131 | 113 Ų | 113 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | -56.8 | 62.2 | 166.1 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | H333 T337 | H333-T335 PolarHBondContact O-N 3.39Å; T335-T337 VanDerWaalsContact C-N 3.29Å; T335-T337 PolarHBondContact O-N 3.48Å | ||
| 336 | S | 48.1 | Very low | 59.9 | Low | 95 Ų | 95 | 115.1 Ų | 115.1 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | trans | -75.5 | 90.2 | 166.9 | 168.3 | 0 | 0 | 0 | 0 | 106.1 | L334 C338 | L334-S336 PolarHBondContact O-N 3.35Å; S336-C338 PolarHBondContact O-N 3.04Å | ||
| 337 | T | 51.6 | Low | 60.9 | Low | 108 Ų | 108 | 115.5 Ų | 115.5 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | trans | -59.2 | 11.3 | 178.2 | 28 | 0 | 0 | 0 | 0 | 115.1 | T335 | T335-T337 VanDerWaalsContact C-N 3.29Å; T335-T337 PolarHBondContact O-N 3.48Å | ||
| 338 | C | 53.4 | Low | 62.4 | Low | 46 Ų | 46 | 111.7 Ų | 111.7 | 31% | 0.311 | 62% | 0.616 | S | S | . | * | trans | -121.6 | 85.8 | -175.9 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | S336 K357 | S336-C338 PolarHBondContact O-N 3.04Å; C338-K357 WeakPolarHBondContact SG-CE 3.48Å; C338-K357 PolarHBondContact SG-NZ 2.95Å | ||
| 339 | Q | 70.5 | Confident | 63.7 | Low | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.7 | 169.9 | -162.1 | 165.6 | 2.3 | 0 | 0 | 108.1 | Q358 | Q339-Q358 WeakPolarHBondContact O-CB 3.46Å; Q339-Q358 PolarHBondContact O-N 3.02Å |
| 340 | W | 77.4 | Confident | 65.2 | Low | 146 Ų | 146 | 109.8 Ų | 109.8 | 55% | 0.553 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.8 | 174.2 | -72.4 | 91.3 | 0 | 0 | 0 | 108.7 | L355 R356 K357 | W340-L355 HydrophobicContact CD2-CD2 4.41Å; W340-L355 HydrophobicContact CE3-CB 4.27Å; W340-L355 HydrophobicContact CE3-CD2 3.91Å; W340-L355 HydrophobicContact CZ3-CB 4.49Å; W340-L355 HydrophobicContact CZ3-CD2 4.49Å; W340-R356 CarbonylContact C-O 3.6Å; W340-R356 WeakPolarHBondContact CA-O 3.39Å; W340-K357 HydrophobicContact CD2-CB 4.21Å; W340-K357 HydrophobicContact CD2-CG 4.24Å; W340-K357 HydrophobicContact CE3-CB 3.84Å; W340-K357 HydrophobicContact CE3-CG 4.38Å; W340-K357 HydrophobicContact CH2-CB 3.83Å; W340-K357 HydrophobicContact CH2-CD 4.07Å; W340-K357 HydrophobicContact CH2-CG 4.16Å; W340-K357 HydrophobicContact CZ2-CB 4.16Å; W340-K357 HydrophobicContact CZ2-CD 3.81Å; W340-K357 HydrophobicContact CZ2-CG 3.98Å; W340-K357 HydrophobicContact CZ3-CB 3.66Å; W340-K357 HydrophobicContact CZ3-CG 4.35Å |
| 341 | Q | 76.8 | Confident | 67.3 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 40% | 0.402 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.7 | 173.8 | -173.7 | 172.3 | -17.3 | 0 | 0 | 109.5 | D343 L355 R356 | Q341-D343 PolarHBondContact NE2-OD1 2.92Å; Q341-L355 WeakPolarHBondContact O-CA 3.4Å; Q341-R356 PolarHBondContact N-O 3.35Å; Q341-R356 PolarHBondContact O-N 3.22Å |
| 342 | R | 83.4 | Confident | 68.9 | Low | 182 Ų | 182 | 108.2 Ų | 108.2 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111 | 118.8 | 174.6 | -70.7 | -177.8 | -177.2 | 162.8 | 1.6 | 108.6 | Y354 L355 | R342-Y354 WeakPolarHBondContact CA-O 3.48Å; R342-L355 HydrophobicContact CG-CD1 3.75Å; R342-L355 HydrophobicContact CG-CG 3.84Å |
| 343 | D | 79.8 | Confident | 70.9 | Confident | 21 Ų | 21 | 110.1 Ų | 110.1 | 11% | 0.112 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 173.1 | -54.9 | -45.2 | 0 | 0 | 0 | 108.2 | Q341 Y345 I353 Y354 R356 | Q341-D343 PolarHBondContact NE2-OD1 2.92Å; D343-Y345 HydrophobicContact CB-CD2 4.48Å; D343-Y345 HydrophobicContact CB-CE2 3.56Å; D343-I353 WeakPolarHBondContact O-CA 3.46Å; D343-Y354 PolarHBondContact N-O 3.25Å; D343-Y354 PolarHBondContact O-N 3.21Å; D343-R356 IonicContact OD2-CZ 2.69Å; D343-R356 IonicContact OD2-NE 3.18Å; D343-R356 PolarHBondContact OD2-NE 3.43Å; D343-R356 IonicContact OD2-NH2 3.93Å; D343-R356 PolarHBondContact OD2-NH2 3.43Å |
| 344 | V | 85.7 | Confident | 72.7 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.5 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | F351 Q352 I353 | V344-F351 HydrophobicContact CG1-CB 4.05Å; V344-F351 HydrophobicContact CG1-CD1 4.15Å; V344-F351 HydrophobicContact CG1-CG 4.42Å; V344-Q352 WeakPolarHBondContact CA-O 3.45Å; V344-I353 HydrophobicContact CG1-CG1 4.18Å; V344-I353 HydrophobicContact CG2-CG1 4.09Å; V344-I353 HydrophobicContact CG2-CG2 4.29Å |
| 345 | Y | 81.6 | Confident | 74.5 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 129.1 | 176.8 | -56.1 | -86.8 | 0 | 0 | 0 | 109 | D343 F351 Q352 Y354 | D343-Y345 HydrophobicContact CB-CD2 4.48Å; D343-Y345 HydrophobicContact CB-CE2 3.56Å; Y345-F351 CarbonylContact O-C 3.55Å; Y345-F351 WeakPolarHBondContact O-CA 3.49Å; Y345-Q352 PolarHBondContact N-O 3.48Å; Y345-Q352 PolarHBondContact O-N 3.1Å; Y345-Y354 AromaticContact CD2-CD2 3.56Å; Y345-Y354 HydrophobicContact CD2-CD2 3.56Å; Y345-Y354 AromaticContact CD2-CE2 3.74Å; Y345-Y354 HydrophobicContact CD2-CE2 3.74Å; Y345-Y354 AromaticContact CE2-CD2 3.55Å; Y345-Y354 HydrophobicContact CE2-CD2 3.55Å; Y345-Y354 AromaticContact CE2-CE2 3.98Å; Y345-Y354 HydrophobicContact CE2-CE2 3.98Å |
| 346 | A | 78.1 | Confident | 76.1 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | F351 | A346-F351 HydrophobicContact CB-CD1 4Å; A346-F351 HydrophobicContact CB-CE1 3.96Å |
| 347 | K | 79.9 | Confident | 77.5 | Confident | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 101.3 | 176.5 | -167.8 | -179.3 | -177.8 | -178.7 | 0 | 108.7 | D349 G350 | K347-D349 PolarHBondContact O-N 3.02Å; K347-G350 CarbonylContact C-O 3.6Å; K347-G350 PolarHBondContact N-O 2.98Å; K347-G350 PolarHBondContact O-N 2.83Å |
| 348 | G | 82.1 | Confident | 77.8 | Confident | 76 Ų | 76 | 104.8 Ų | 104.8 | 78% | 0.784 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -128.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G350 | G348-G350 PolarHBondContact O-N 3.28Š|
| 349 | D | 73.2 | Confident | 77.7 | Confident | 184 Ų | 184 | 104.8 Ų | 104.8 | 98% | 0.984 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 10.6 | -179.7 | -63.7 | -18.7 | 0 | 0 | 0 | 114 | K347 | K347-D349 PolarHBondContact O-N 3.02Š|
| 350 | G | 78.3 | Confident | 76.6 | Confident | 30 Ų | 30 | 106.5 Ų | 106.5 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 179 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K347 G348 | K347-G350 CarbonylContact C-O 3.6Å; K347-G350 PolarHBondContact N-O 2.98Å; K347-G350 PolarHBondContact O-N 2.83Å; G348-G350 PolarHBondContact O-N 3.28Å |
| 351 | F | 85 | Confident | 74.7 | Confident | 161 Ų | 161 | 108 Ų | 108 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.4 | 177.6 | -55.9 | -84 | 0 | 0 | 0 | 110.8 | V344 Y345 A346 | V344-F351 HydrophobicContact CG1-CB 4.05Å; V344-F351 HydrophobicContact CG1-CD1 4.15Å; V344-F351 HydrophobicContact CG1-CG 4.42Å; Y345-F351 CarbonylContact O-C 3.55Å; Y345-F351 WeakPolarHBondContact O-CA 3.49Å; A346-F351 HydrophobicContact CB-CD1 4Å; A346-F351 HydrophobicContact CB-CE1 3.96Å |
| 352 | Q | 82.2 | Confident | 72.9 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 36% | 0.355 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.8 | 171.9 | -167.6 | 164.5 | 12.7 | 0 | 0 | 108.8 | V344 Y345 Y354 | V344-Q352 WeakPolarHBondContact CA-O 3.45Å; Y345-Q352 PolarHBondContact N-O 3.48Å; Y345-Q352 PolarHBondContact O-N 3.1Å; Q352-Y354 HydrophobicContact CB-CE2 4.38Å; Q352-Y354 VanDerWaalsContact CD-OH 3.23Å; Q352-Y354 HydrophobicContact CG-CD2 4.31Å; Q352-Y354 HydrophobicContact CG-CE2 3.65Å; Q352-Y354 PolarHBondContact NE2-OH 3.11Å; Q352-Y354 PolarHBondContact OE1-OH 3.39Å |
| 353 | I | 87.4 | Confident | 70.4 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.2 | -178.7 | -54 | 177.9 | 0 | 0 | 0 | 108.6 | D343 V344 L355 | D343-I353 WeakPolarHBondContact O-CA 3.46Å; V344-I353 HydrophobicContact CG1-CG1 4.18Å; V344-I353 HydrophobicContact CG2-CG1 4.09Å; V344-I353 HydrophobicContact CG2-CG2 4.29Å; I353-L355 HydrophobicContact CG2-CD1 4.18Å |
| 354 | Y | 84.4 | Confident | 67.9 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.1 | 170.6 | -65.9 | -87.2 | 0 | 0 | 0 | 109.5 | R342 D343 Y345 Q352 | R342-Y354 WeakPolarHBondContact CA-O 3.48Å; D343-Y354 PolarHBondContact N-O 3.25Å; D343-Y354 PolarHBondContact O-N 3.21Å; Y345-Y354 AromaticContact CD2-CD2 3.56Å; Y345-Y354 HydrophobicContact CD2-CD2 3.56Å; Y345-Y354 AromaticContact CD2-CE2 3.74Å; Y345-Y354 HydrophobicContact CD2-CE2 3.74Å; Y345-Y354 AromaticContact CE2-CD2 3.55Å; Y345-Y354 HydrophobicContact CE2-CD2 3.55Å; Y345-Y354 AromaticContact CE2-CE2 3.98Å; Y345-Y354 HydrophobicContact CE2-CE2 3.98Å; Q352-Y354 HydrophobicContact CB-CE2 4.38Å; Q352-Y354 VanDerWaalsContact CD-OH 3.23Å; Q352-Y354 HydrophobicContact CG-CD2 4.31Å; Q352-Y354 HydrophobicContact CG-CE2 3.65Å; Q352-Y354 PolarHBondContact NE2-OH 3.11Å; Q352-Y354 PolarHBondContact OE1-OH 3.39Å |
| 355 | L | 81.1 | Confident | 65.2 | Low | 92 Ų | 92 | 116 Ų | 116 | 48% | 0.482 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 117 | 166.2 | -101.8 | 89.1 | 0 | 0 | 0 | 109 | W340 Q341 R342 I353 | W340-L355 HydrophobicContact CD2-CD2 4.41Å; W340-L355 HydrophobicContact CE3-CB 4.27Å; W340-L355 HydrophobicContact CE3-CD2 3.91Å; W340-L355 HydrophobicContact CZ3-CB 4.49Å; W340-L355 HydrophobicContact CZ3-CD2 4.49Å; Q341-L355 WeakPolarHBondContact O-CA 3.4Å; R342-L355 HydrophobicContact CG-CD1 3.75Å; R342-L355 HydrophobicContact CG-CG 3.84Å; I353-L355 HydrophobicContact CG2-CD1 4.18Å |
| 356 | R | 78.9 | Confident | 62.8 | Low | 137 Ų | 137 | 115.5 Ų | 115.5 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.6 | 171 | -68.7 | -168.9 | -91.9 | -153.1 | 2.5 | 109.5 | W340 Q341 D343 | W340-R356 CarbonylContact C-O 3.6Å; W340-R356 WeakPolarHBondContact CA-O 3.39Å; Q341-R356 PolarHBondContact N-O 3.35Å; Q341-R356 PolarHBondContact O-N 3.22Å; D343-R356 IonicContact OD2-CZ 2.69Å; D343-R356 IonicContact OD2-NE 3.18Å; D343-R356 PolarHBondContact OD2-NE 3.43Å; D343-R356 IonicContact OD2-NH2 3.93Å; D343-R356 PolarHBondContact OD2-NH2 3.43Å |
| 357 | K | 76.1 | Confident | 60.5 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 53% | 0.526 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 111.7 | 171.2 | -167.6 | -178.1 | 179.3 | -171.6 | 0 | 107.3 | C338 W340 G359 | C338-K357 WeakPolarHBondContact SG-CE 3.48Å; C338-K357 PolarHBondContact SG-NZ 2.95Å; W340-K357 HydrophobicContact CD2-CB 4.21Å; W340-K357 HydrophobicContact CD2-CG 4.24Å; W340-K357 HydrophobicContact CE3-CB 3.84Å; W340-K357 HydrophobicContact CE3-CG 4.38Å; W340-K357 HydrophobicContact CH2-CB 3.83Å; W340-K357 HydrophobicContact CH2-CD 4.07Å; W340-K357 HydrophobicContact CH2-CG 4.16Å; W340-K357 HydrophobicContact CZ2-CB 4.16Å; W340-K357 HydrophobicContact CZ2-CD 3.81Å; W340-K357 HydrophobicContact CZ2-CG 3.98Å; W340-K357 HydrophobicContact CZ3-CB 3.66Å; W340-K357 HydrophobicContact CZ3-CG 4.35Å; K357-G359 PolarHBondContact O-N 3.04Å |
| 358 | Q | 57.7 | Low | 58 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 38% | 0.379 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 106.9 | 175.7 | -150.9 | 176.4 | 13.3 | 0 | 0 | 107.8 | Q339 | Q339-Q358 WeakPolarHBondContact O-CB 3.46Å; Q339-Q358 PolarHBondContact O-N 3.02Å |
| 359 | G | 52.2 | Low | 55.5 | Low | 47 Ų | 47 | 127.5 Ų | 127.5 | 49% | 0.485 | 65% | 0.653 | S | S | . | * | trans | -94.9 | 117.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | K357 H361 | K357-G359 PolarHBondContact O-N 3.04Å; G359-H361 PolarHBondContact O-N 3.39Å; G359-H361 VanDerWaalsContact O-N 3.12Å | ||
| 360 | Y | 47.1 | Very low | 53.4 | Low | 154 Ų | 154 | 124.5 Ų | 124.5 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | trans | -70 | 105.1 | 167 | -71.4 | -86.4 | 0 | 0 | 0 | 108 | S362 | Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 3.16Å | ||
| 361 | H | 37.1 | Very low | 51.2 | Low | 179 Ų | 179 | 131.2 Ų | 131.2 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | trans | -80.7 | 86.5 | 159.7 | -64.4 | -63.4 | 0 | 0 | 0 | 106.8 | G359 N363 | G359-H361 PolarHBondContact O-N 3.39Å; G359-H361 VanDerWaalsContact O-N 3.12Å; H361-N363 PolarHBondContact O-N 3.21Å | ||
| 362 | S | 39 | Very low | 48.3 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | trans | -70.8 | 84.5 | 171.7 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | Y360 | Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 3.16Å | ||
| 363 | N | 30.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | trans | -86.3 | 95.5 | 152.4 | -91.6 | 17.6 | 0 | 0 | 0 | 107.2 | H361 | H361-N363 PolarHBondContact O-N 3.21Š| ||
| 364 | S | 27.1 | Very low | 42.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -162.3 | 116.7 | 145.1 | 41.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 365 | L | 30.3 | Very low | 40 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -68.6 | 143.1 | 163.8 | -126.7 | 87.7 | 0 | 0 | 0 | 108.5 | ||||
| 366 | S | 30.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 48.9 | 115.9 | 151.5 | 66.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 367 | E | 29 | Very low | 35.1 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | -152.3 | 114.2 | 115.7 | -141.7 | 161.9 | -170.8 | 0 | 0 | 109.1 | |||||
| 368 | E | 28.3 | Very low | 33 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -71 | 157.2 | 168.8 | -112 | 164.9 | 161.4 | 0 | 0 | 109.8 | ||||
| 369 | E | 29 | Very low | 31.8 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 63.5 | 97.7 | 157.5 | -67.1 | -175.3 | 141.6 | 0 | 0 | 119 | ||||
| 370 | S | 29.2 | Very low | 30.8 | Very low | 121 Ų | 121 | 156 Ų | 156 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | -152.6 | 108.7 | 114 | 56 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 371 | L | 31.9 | Very low | 29.9 | Very low | 170 Ų | 170 | 156 Ų | 156 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -71.7 | 140.2 | 148.5 | -78.5 | 162.5 | 0 | 0 | 0 | 106.9 | ||||
| 372 | Q | 25.3 | Very low | 29.6 | Very low | 196 Ų | 196 | 159.1 Ų | 159.1 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | 145.9 | 108 | 132.8 | -165.1 | 158.3 | 28.4 | 0 | 0 | 112.9 | ||||
| 373 | G | 23.3 | Very low | 29.6 | Very low | 65 Ų | 65 | 159.8 Ų | 159.8 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | 70.6 | 117.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 374 | I | 28.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | 175.8 | 133 | 110.3 | -84.1 | 155.7 | 0 | 0 | 0 | 108.7 | |||||
| 375 | E | 26.8 | Very low | 29.9 | Very low | 161 Ų | 161 | 162 Ų | 162 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -77.6 | 170.1 | 171.7 | -63.1 | -178.2 | 139.3 | 0 | 0 | 112.6 | ||||
| 376 | Q | 29.7 | Very low | 29.7 | Very low | 178 Ų | 178 | 164.1 Ų | 164.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | 77.6 | 146.3 | 163.6 | -62.2 | 172.9 | 19.9 | 0 | 0 | 114.7 | ||||
| 377 | D | 27.5 | Very low | 29.7 | Very low | 150 Ų | 150 | 166.3 Ų | 166.3 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | cis | -171.8 | -177.4 | -14.2 | -161.5 | -6.3 | 0 | 0 | 0 | 104.2 | ||||
| 378 | E | 32.3 | Very low | 29.8 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 86.4 | 105.3 | 166.3 | -75.2 | -177.4 | 147.3 | 0 | 0 | 121.1 | ||||
| 379 | E | 32.4 | Very low | 29.9 | Very low | 173 Ų | 173 | 165.4 Ų | 165.4 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | 9.5 | 119.7 | 123.6 | -84 | -177.1 | 161 | 0 | 0 | 118.6 | |||||
| 380 | Q | 30.7 | Very low | 30.5 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | 171.4 | 149.5 | 116.3 | -96.1 | 161.6 | 17.1 | 0 | 0 | 113.9 | |||||
| 381 | D | 28.3 | Very low | 30.7 | Very low | 155 Ų | 155 | 165.4 Ų | 165.4 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | 76.8 | 107.2 | 148.4 | -97.5 | -1.3 | 0 | 0 | 0 | 122 | ||||
| 382 | W | 31.8 | Very low | 30.7 | Very low | 244 Ų | 244 | 162.7 Ų | 162.7 | 92% | 0.924 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 135.8 | 155.5 | -74.1 | 89.6 | 0 | 0 | 0 | 110.2 | ||
| 383 | P | 38.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 163 Ų | 163 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 117.3 | 166.3 | 28.4 | -19.6 | 0 | 0 | 0 | 111.8 | ||
| 384 | Q | 32.1 | Very low | 31.6 | Very low | 185 Ų | 185 | 165.1 Ų | 165.1 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 122.5 | 167.1 | -167.7 | 169.9 | 12.8 | 0 | 0 | 110.5 | ||
| 385 | V | 32.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 165.3 Ų | 165.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -108.6 | 120.1 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 386 | Y | 26.8 | Very low | 32.3 | Very low | 211 Ų | 211 | 167 Ų | 167 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -61.4 | 139.4 | 178.6 | -107.2 | -105.7 | 0 | 0 | 0 | 113.6 | ||||
| 387 | I | 30.6 | Very low | 32.3 | Very low | 150 Ų | 150 | 165.2 Ų | 165.2 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -93.4 | 128.3 | 165.7 | -64.8 | 171.5 | 0 | 0 | 0 | 108.5 | ||||
| 388 | K | 31.3 | Very low | 32.4 | Very low | 200 Ų | 200 | 162 Ų | 162 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | trans | -117 | 116.9 | 164.2 | -101.2 | -177.4 | 176.1 | 178.1 | 0 | 108.5 | ||||
| 389 | D | 28.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 162.9 Ų | 162.9 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 148.7 | 166.8 | -88 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 390 | P | 42 | Very low | 32.7 | Very low | 120 Ų | 120 | 161 Ų | 161 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 134.8 | 163.5 | 33.9 | -24.3 | 0 | 0 | 0 | 112.6 | ||
| 391 | E | 33.7 | Very low | 32.8 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.7 | 170.2 | -69.3 | -179 | 137.2 | 0 | 0 | 113.1 | ||
| 392 | S | 32.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 163.3 Ų | 163.3 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | -166.1 | 107.6 | 126.7 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 393 | K | 34.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | 41 | 129.6 | 133.7 | -59.7 | 179.3 | -178.7 | 175.2 | 0 | 121.8 | ||||
| 394 | S | 33.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | -169.5 | 128.8 | 104.2 | 51 | 0 | 0 | 0 | 0 | 115 | |||||
| 395 | Q | 33.2 | Very low | 34 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | 40.7 | 122.7 | 141.5 | -68.2 | 175.6 | -32.9 | 0 | 0 | 122 | ||||
| 396 | K | 35.7 | Very low | 34.3 | Very low | 195 Ų | 195 | 165 Ų | 165 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | -175.6 | 118.3 | 101.1 | -98.5 | 171.7 | -174.8 | 176.5 | 0 | 112.7 | |||||
| 397 | T | 31 | Very low | 34.7 | Very low | 141 Ų | 141 | 162.7 Ų | 162.7 | 87% | 0.865 | 84% | 0.835 | S | S | * | * | trans | 31.1 | 118.2 | 136.3 | 36.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 398 | G | 29.7 | Very low | 34.9 | Very low | 84 Ų | 84 | 163.3 Ų | 163.3 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | -169 | 107.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 399 | K | 35.3 | Very low | 35.1 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | trans | -87 | 160.2 | -168.9 | -115.6 | 174.1 | 178.4 | 179.9 | 0 | 111.5 | ||||
| 400 | I | 35.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 161.8 Ų | 161.8 | 69% | 0.692 | 84% | 0.838 | S | S | * | * | trans | 78.2 | 128.9 | 144.8 | -69.6 | 164.7 | 0 | 0 | 0 | 114.2 | ||||
| 401 | N | 32.9 | Very low | 35 | Very low | 145 Ų | 145 | 164.4 Ų | 164.4 | 78% | 0.775 | 84% | 0.842 | S | S | * | * | cis | -162.8 | 163.5 | 14.5 | -99.4 | -11.2 | 0 | 0 | 0 | 111.5 | ||||
| 402 | Y | 37.5 | Very low | 35.1 | Very low | 236 Ų | 236 | 162.9 Ų | 162.9 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -75.2 | 147.9 | 172.6 | -79.3 | -99 | 0 | 0 | 0 | 114.7 | ||||
| 403 | A | 37.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 166.4 Ų | 166.4 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | 178.3 | 115 | 140 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 404 | K | 42.2 | Very low | 35.4 | Very low | 191 Ų | 191 | 163.6 Ų | 163.6 | 83% | 0.83 | 84% | 0.84 | S | S | * | * | 44.5 | 97.7 | 61.5 | -139.6 | -172.8 | -171.3 | -173.6 | 0 | 113.4 | |||||
| 405 | E | 37.3 | Very low | 35.6 | Very low | 156 Ų | 156 | 168.2 Ų | 168.2 | 73% | 0.729 | 85% | 0.847 | S | S | * | * | 159.8 | 129.8 | 121 | -88.6 | -177 | 176.7 | 0 | 0 | 111.2 | |||||
| 406 | F | 38.9 | Very low | 35.8 | Very low | 274 Ų | 274 | 167.2 Ų | 167.2 | 100% | 1.202 | 85% | 0.848 | S | S | * | * | trans | 66.2 | 0 | 170.2 | -63.9 | -76.5 | 0 | 0 | 0 | 120.4 |
Retrieved 406 of 406 residues in 483 ms
(Link to these results)