| 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 | 46.5 | Very low | 57.8 | Low | 250 Ų | 250 | 143.9 Ų | 143.9 | 100% | 1.232 | 79% | 0.786 | S | S | * | * | 0 | 80.9 | 0 | -64.2 | -177.9 | 179 | 0 | 0 | 108.3 | |||||
| 2 | A | 45.4 | Very low | 59 | Low | 97 Ų | 97 | 146.2 Ų | 146.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -100.1 | 107.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | T4 | A2-T4 PolarHBondContact O-N 3.31Å; A2-T4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | K | 53.5 | Low | 60 | Low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -65.6 | 111.4 | 166.7 | -86.5 | -178.2 | 173.4 | -177.7 | 0 | 106.7 | ||||
| 4 | T | 57 | Low | 61.9 | Low | 129 Ų | 129 | 136.1 Ų | 136.1 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -54.8 | 130.4 | 161.6 | -28 | 0 | 0 | 0 | 0 | 107.8 | A2 | A2-T4 PolarHBondContact O-N 3.31Å; A2-T4 VanDerWaalsContact O-N 3.17Å | ||
| 5 | P | 56.2 | Low | 63.6 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | trans | -70 | 140.8 | 176.1 | 29.3 | -30.9 | 0 | 0 | 0 | 109.4 | N7 | P5-N7 PolarHBondContact O-N 3.14Š| ||
| 6 | E | 58.4 | Low | 65.3 | Low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -40.2 | 123.5 | 176.2 | -109.1 | 156.7 | 114.4 | 0 | 0 | 113 | I8 | E6-I8 HydrophobicContact CB-CG1 4.32Å; E6-I8 PolarHBondContact O-N 2.97Å | ||
| 7 | N | 59.2 | Low | 66.8 | Low | 166 Ų | 166 | 135.3 Ų | 135.3 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -66.8 | 87.4 | 155.3 | -76.5 | -28.3 | 0 | 0 | 0 | 107.2 | P5 A9 | P5-N7 PolarHBondContact O-N 3.14Å; N7-A9 PolarHBondContact O-N 3.49Å | ||
| 8 | I | 63.5 | Low | 68.1 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 56% | 0.559 | 69% | 0.693 | S | S | * | * | trans | -62.1 | 110.3 | 167.3 | -57.2 | 171.6 | 0 | 0 | 0 | 105.8 | E6 I10 L13 | E6-I8 HydrophobicContact CB-CG1 4.32Å; E6-I8 PolarHBondContact O-N 2.97Å; I8-I10 PolarHBondContact O-N 3.49Å; I8-I10 VanDerWaalsContact O-N 3.15Å; I8-L13 HydrophobicContact CG2-CD1 3.71Å; I8-L13 HydrophobicContact CG2-CD2 4.49Å; I8-L13 HydrophobicContact CG2-CG 3.96Å | ||
| 9 | A | 62.5 | Low | 69.4 | Low | 50 Ų | 50 | 131.7 Ų | 131.7 | 41% | 0.413 | 69% | 0.686 | S | S | . | * | trans | -60.4 | 119.7 | 175 | 0 | 0 | 0 | 0 | 0 | 108 | N7 D11 Q12 | N7-A9 PolarHBondContact O-N 3.49Å; A9-D11 PolarHBondContact O-N 3.31Å; A9-Q12 PolarHBondContact O-N 3.49Å | ||
| 10 | I | 66.9 | Low | 70.6 | Confident | 121 Ų | 121 | 129.9 Ų | 129.9 | 62% | 0.621 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -53.3 | -28.4 | -177.5 | -60.8 | 177.6 | 0 | 0 | 0 | 111.3 | I8 Q12 L13 I18 | I8-I10 PolarHBondContact O-N 3.49Å; I8-I10 VanDerWaalsContact O-N 3.15Å; I10-Q12 VanDerWaalsContact C-N 3.27Å; I10-Q12 PolarHBondContact O-N 3.45Å; I10-L13 PolarHBondContact O-N 2.96Å; I10-I18 HydrophobicContact CG2-CD1 4.26Å |
| 11 | D | 67.3 | Low | 71.7 | Confident | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -68 | -17.5 | 178.6 | -63.8 | -44 | 0 | 0 | 0 | 115.2 | A9 | A9-D11 PolarHBondContact O-N 3.31Š|
| 12 | Q | 71.5 | Confident | 74 | Confident | 171 Ų | 171 | 120.5 Ų | 120.5 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -94.8 | -9.2 | 176.6 | -67.4 | -170.2 | -23 | 0 | 0 | 113.5 | A9 I10 | A9-Q12 PolarHBondContact O-N 3.49Å; I10-Q12 VanDerWaalsContact C-N 3.27Å; I10-Q12 PolarHBondContact O-N 3.45Å |
| 13 | L | 72.6 | Confident | 76.3 | Confident | 62 Ų | 62 | 119.8 Ų | 119.8 | 33% | 0.325 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -76.9 | 130.7 | 176.4 | -78.6 | 145.1 | 0 | 0 | 0 | 109.3 | I8 I10 Q17 I18 | I8-L13 HydrophobicContact CG2-CD1 3.71Å; I8-L13 HydrophobicContact CG2-CD2 4.49Å; I8-L13 HydrophobicContact CG2-CG 3.96Å; I10-L13 PolarHBondContact O-N 2.96Å; L13-Q17 HydrophobicContact CD2-CB 4.42Å; L13-I18 HydrophobicContact CB-CD1 4.09Å; L13-I18 HydrophobicContact CB-CG1 3.74Å |
| 14 | D | 85.7 | Confident | 78.3 | Confident | 90 Ų | 90 | 115.6 Ų | 115.6 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | trans | -57.6 | 143.4 | 176.6 | -177.2 | 22.9 | 0 | 0 | 0 | 110.1 | D16 Q17 I18 | D14-D16 PolarHBondContact O-N 3.44Å; D14-D16 VanDerWaalsContact O-N 3.14Å; D14-Q17 HydrophobicContact CB-CB 4.36Å; D14-Q17 HydrophobicContact CB-CG 4.02Å; D14-Q17 WeakPolarHBondContact O-CA 3.39Å; D14-Q17 WeakPolarHBondContact O-CB 3.41Å; D14-Q17 PolarHBondContact O-N 3.44Å; D14-I18 PolarHBondContact O-N 3.34Å | ||
| 15 | K | 88.2 | Confident | 80.1 | Confident | 175 Ų | 175 | 113 Ų | 113 | 76% | 0.761 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.5 | -35.5 | -175.9 | -67.8 | -168.5 | 178 | -158.3 | 0 | 111.5 | I18 K19 | K15-I18 PolarHBondContact O-N 2.96Å; K15-K19 WeakPolarHBondContact O-CB 3.38Å; K15-K19 PolarHBondContact O-N 3.47Å |
| 16 | D | 90.3 | Very high | 82.1 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.9 | -32.8 | 177.3 | -70.9 | -22.8 | 0 | 0 | 0 | 112.5 | D14 T20 | D14-D16 PolarHBondContact O-N 3.44Å; D14-D16 VanDerWaalsContact O-N 3.14Å; D16-T20 WeakPolarHBondContact O-CB 3.4Å; D16-T20 PolarHBondContact O-N 2.92Å; D16-T20 PolarHBondContact O-OG1 3.05Å |
| 17 | Q | 90.2 | Very high | 83.8 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.7 | -44 | 173.8 | -67.9 | 178.1 | -12.7 | 0 | 0 | 111.4 | L13 D14 K19 T20 F21 | L13-Q17 HydrophobicContact CD2-CB 4.42Å; D14-Q17 HydrophobicContact CB-CB 4.36Å; D14-Q17 HydrophobicContact CB-CG 4.02Å; D14-Q17 WeakPolarHBondContact O-CA 3.39Å; D14-Q17 WeakPolarHBondContact O-CB 3.41Å; D14-Q17 PolarHBondContact O-N 3.44Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 2.94Å; Q17-T20 PolarHBondContact O-N 2.96Å; Q17-F21 WeakPolarHBondContact O-CB 3.43Å; Q17-F21 PolarHBondContact O-N 3.4Å |
| 18 | I | 90.8 | Very high | 85.6 | Confident | 72 Ų | 72 | 105.8 Ų | 105.8 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 175.6 | -62.8 | 173.7 | 0 | 0 | 0 | 110 | I10 L13 D14 K15 F21 S22 | I10-I18 HydrophobicContact CG2-CD1 4.26Å; L13-I18 HydrophobicContact CB-CD1 4.09Å; L13-I18 HydrophobicContact CB-CG1 3.74Å; D14-I18 PolarHBondContact O-N 3.34Å; K15-I18 PolarHBondContact O-N 2.96Å; I18-F21 PolarHBondContact O-N 3.35Å; I18-S22 WeakPolarHBondContact O-CB 3.45Å; I18-S22 PolarHBondContact O-N 3.3Å |
| 19 | K | 92.6 | Very high | 87.3 | Confident | 130 Ų | 130 | 105.2 Ų | 105.2 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -49 | 176.2 | -177.8 | 179.2 | 176.3 | -179.5 | 0 | 111.7 | K15 Q17 F21 S22 D23 | K15-K19 WeakPolarHBondContact O-CB 3.38Å; K15-K19 PolarHBondContact O-N 3.47Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 2.94Å; K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 PolarHBondContact O-N 3Å; K19-S22 WeakPolarHBondContact O-CB 3.47Å; K19-S22 PolarHBondContact O-N 3.46Å; K19-D23 VanDerWaalsContact O-CG 3.3Å; K19-D23 PolarHBondContact O-N 3.2Å |
| 20 | T | 93.6 | Very high | 88.9 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.3 | -41.2 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | D16 Q17 F24 | D16-T20 WeakPolarHBondContact O-CB 3.4Å; D16-T20 PolarHBondContact O-N 2.92Å; D16-T20 PolarHBondContact O-OG1 3.05Å; Q17-T20 PolarHBondContact O-N 2.96Å; T20-F24 WeakPolarHBondContact O-CB 3.49Å; T20-F24 PolarHBondContact O-N 2.83Å |
| 21 | F | 93.2 | Very high | 90.4 | Very high | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.9 | -41.7 | 177.5 | -172.2 | -112.8 | 0 | 0 | 0 | 112.3 | Q17 I18 K19 F24 L25 | Q17-F21 WeakPolarHBondContact O-CB 3.43Å; Q17-F21 PolarHBondContact O-N 3.4Å; I18-F21 PolarHBondContact O-N 3.35Å; K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 PolarHBondContact O-N 3Å; F21-F24 HydrophobicContact CD2-CD1 4.44Å; F21-F24 HydrophobicContact CE2-CD1 4.39Å; F21-F24 WeakPolarHBondContact O-CB 3.36Å; F21-F24 PolarHBondContact O-N 3.45Å; F21-L25 HydrophobicContact CD1-CD1 4.01Å; F21-L25 HydrophobicContact CD1-CG 4.45Å; F21-L25 HydrophobicContact CE1-CD1 3.61Å; F21-L25 HydrophobicContact CE1-CG 4.15Å; F21-L25 HydrophobicContact CZ-CD1 4.1Å; F21-L25 HydrophobicContact CZ-CD2 4.18Å; F21-L25 HydrophobicContact CZ-CG 4.23Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.16Å |
| 22 | S | 94.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 98 Ų | 98 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | I18 K19 F24 L25 M26 | I18-S22 WeakPolarHBondContact O-CB 3.45Å; I18-S22 PolarHBondContact O-N 3.3Å; K19-S22 WeakPolarHBondContact O-CB 3.47Å; K19-S22 PolarHBondContact O-N 3.46Å; S22-F24 VanDerWaalsContact C-N 3.3Å; S22-F24 PolarHBondContact O-N 3.11Å; S22-L25 PolarHBondContact O-N 3.46Å; S22-M26 WeakPolarHBondContact O-CG 3.3Å; S22-M26 PolarHBondContact O-N 2.85Å |
| 23 | D | 94.3 | Very high | 93.1 | Very high | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 178.4 | -68.4 | -20.2 | 0 | 0 | 0 | 111.3 | K19 M26 S27 | K19-D23 VanDerWaalsContact O-CG 3.3Å; K19-D23 PolarHBondContact O-N 3.2Å; D23-M26 PolarHBondContact O-N 3.4Å; D23-S27 WeakPolarHBondContact O-CB 3.38Å; D23-S27 PolarHBondContact O-N 3.4Å |
| 24 | F | 95 | Very high | 94.3 | Very high | 121 Ų | 121 | 93.7 Ų | 93.7 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 173.1 | 170.5 | -100.7 | 0 | 0 | 0 | 112.2 | T20 F21 S22 M26 S27 Y28 | T20-F24 WeakPolarHBondContact O-CB 3.49Å; T20-F24 PolarHBondContact O-N 2.83Å; F21-F24 HydrophobicContact CD2-CD1 4.44Å; F21-F24 HydrophobicContact CE2-CD1 4.39Å; F21-F24 WeakPolarHBondContact O-CB 3.36Å; F21-F24 PolarHBondContact O-N 3.45Å; S22-F24 VanDerWaalsContact C-N 3.3Å; S22-F24 PolarHBondContact O-N 3.11Å; F24-M26 VanDerWaalsContact C-N 3.34Å; F24-M26 PolarHBondContact O-N 3.05Å; F24-S27 PolarHBondContact O-N 3.32Å; F24-Y28 WeakPolarHBondContact O-CB 3.4Å; F24-Y28 PolarHBondContact O-N 3.48Å |
| 25 | L | 96.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 89.9 Ų | 89.9 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.6 | -69 | 178.5 | 0 | 0 | 0 | 112 | F21 S22 Y28 N29 | F21-L25 HydrophobicContact CD1-CD1 4.01Å; F21-L25 HydrophobicContact CD1-CG 4.45Å; F21-L25 HydrophobicContact CE1-CD1 3.61Å; F21-L25 HydrophobicContact CE1-CG 4.15Å; F21-L25 HydrophobicContact CZ-CD1 4.1Å; F21-L25 HydrophobicContact CZ-CD2 4.18Å; F21-L25 HydrophobicContact CZ-CG 4.23Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.16Å; S22-L25 PolarHBondContact O-N 3.46Å; L25-Y28 PolarHBondContact O-N 3.2Å; L25-N29 VanDerWaalsContact O-CG 3.3Å; L25-N29 PolarHBondContact O-N 3.23Å; L25-N29 PolarHBondContact O-ND2 3.2Å |
| 26 | M | 96.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 87 Ų | 87 | 61% | 0.606 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 174.1 | -71 | 179.9 | 67.3 | 0 | 0 | 111.5 | S22 D23 F24 N29 K30 | S22-M26 WeakPolarHBondContact O-CG 3.3Å; S22-M26 PolarHBondContact O-N 2.85Å; D23-M26 PolarHBondContact O-N 3.4Å; F24-M26 VanDerWaalsContact C-N 3.34Å; F24-M26 PolarHBondContact O-N 3.05Å; M26-N29 PolarHBondContact O-N 3.03Å; M26-K30 PolarHBondContact O-N 2.96Å |
| 27 | S | 95.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 86.2 Ų | 86.2 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | D23 F24 K30 L31 | D23-S27 WeakPolarHBondContact O-CB 3.38Å; D23-S27 PolarHBondContact O-N 3.4Å; F24-S27 PolarHBondContact O-N 3.32Å; S27-K30 PolarHBondContact O-N 2.66Å; S27-L31 VanDerWaalsContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CB 3.36Å; S27-L31 PolarHBondContact O-N 3.42Å |
| 28 | Y | 97.2 | Very high | 96.1 | Very high | 134 Ų | 134 | 85.1 Ų | 85.1 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 176.7 | 175.6 | -95.4 | 0 | 0 | 0 | 111.3 | F24 L25 K30 L31 S32 | F24-Y28 WeakPolarHBondContact O-CB 3.4Å; F24-Y28 PolarHBondContact O-N 3.48Å; L25-Y28 PolarHBondContact O-N 3.2Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.44Å; Y28-L31 PolarHBondContact O-N 2.98Å; Y28-S32 PolarHBondContact O-N 2.84Å; Y28-S32 PolarHBondContact O-OG 2.95Å |
| 29 | N | 97.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 82 Ų | 82 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.6 | -69.8 | -19.6 | 0 | 0 | 0 | 110.8 | L25 M26 L31 S32 E33 | L25-N29 VanDerWaalsContact O-CG 3.3Å; L25-N29 PolarHBondContact O-N 3.23Å; L25-N29 PolarHBondContact O-ND2 3.2Å; M26-N29 PolarHBondContact O-N 3.03Å; N29-L31 PolarHBondContact O-N 3.34Å; N29-S32 PolarHBondContact O-N 3.49Å; N29-S32 PolarHBondContact O-OG 3.01Å; N29-E33 PolarHBondContact O-N 3.23Å |
| 30 | K | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 77.1 Ų | 77.1 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.7 | -175.1 | 65.5 | -162.1 | 163.6 | 0 | 113 | M26 S27 Y28 E33 T34 | M26-K30 PolarHBondContact O-N 2.96Å; S27-K30 PolarHBondContact O-N 2.66Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.44Å; K30-E33 IonicContact NZ-OE2 3.81Å; K30-E33 PolarHBondContact NZ-OE2 3.36Å; K30-T34 WeakPolarHBondContact O-CB 3.39Å; K30-T34 PolarHBondContact O-N 2.98Å; K30-T34 PolarHBondContact O-OG1 2.87Å |
| 31 | L | 97.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 81.9 Ų | 81.9 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 176.5 | 167.3 | 61.3 | 0 | 0 | 0 | 110.9 | S27 Y28 N29 E33 T34 C35 M60 Y63 | S27-L31 VanDerWaalsContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CB 3.36Å; S27-L31 PolarHBondContact O-N 3.42Å; Y28-L31 PolarHBondContact O-N 2.98Å; N29-L31 PolarHBondContact O-N 3.34Å; L31-E33 PolarHBondContact O-N 2.94Å; L31-T34 PolarHBondContact O-N 3.37Å; L31-C35 VanDerWaalsContact CD1-SG 3.52Å; L31-C35 PolarHBondContact O-N 2.74Å; L31-M60 HydrophobicContact CD1-CB 4.35Å; L31-M60 HydrophobicContact CD2-CG 4.07Å; L31-Y63 HydrophobicContact CB-CD1 4.1Å; L31-Y63 HydrophobicContact CB-CE1 3.93Å; L31-Y63 HydrophobicContact CD1-CD1 3.57Å; L31-Y63 HydrophobicContact CD1-CE1 4.26Å; L31-Y63 HydrophobicContact CD1-CG 3.71Å; L31-Y63 HydrophobicContact CD2-CD1 4.46Å; L31-Y63 HydrophobicContact CG-CD1 4.23Å |
| 32 | S | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 78.1 Ų | 78.1 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 179.1 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | Y28 N29 F36 | Y28-S32 PolarHBondContact O-N 2.84Å; Y28-S32 PolarHBondContact O-OG 2.95Å; N29-S32 PolarHBondContact O-N 3.49Å; N29-S32 PolarHBondContact O-OG 3.01Å; S32-F36 VanDerWaalsContact O-CB 3.22Å; S32-F36 WeakPolarHBondContact O-CB 3.49Å; S32-F36 PolarHBondContact O-N 2.91Å |
| 33 | E | 98.2 | Very high | 96.9 | Very high | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.1 | -179.4 | -167.5 | -141.4 | 0 | 0 | 111.4 | N29 K30 L31 F36 T37 | N29-E33 PolarHBondContact O-N 3.23Å; K30-E33 IonicContact NZ-OE2 3.81Å; K30-E33 PolarHBondContact NZ-OE2 3.36Å; L31-E33 PolarHBondContact O-N 2.94Å; E33-F36 PolarHBondContact O-N 2.91Å; E33-T37 WeakPolarHBondContact O-CB 3.23Å; E33-T37 PolarHBondContact O-N 3.14Å; E33-T37 PolarHBondContact O-OG1 2.98Å |
| 34 | T | 97.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 83.9 Ų | 83.9 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.5 | -49.9 | -178.2 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | K30 L31 F36 T37 D38 | K30-T34 WeakPolarHBondContact O-CB 3.39Å; K30-T34 PolarHBondContact O-N 2.98Å; K30-T34 PolarHBondContact O-OG1 2.87Å; L31-T34 PolarHBondContact O-N 3.37Å; T34-F36 PolarHBondContact O-N 3.13Å; T34-T37 PolarHBondContact O-N 3.42Å; T34-D38 WeakPolarHBondContact O-CB 3.42Å; T34-D38 PolarHBondContact O-N 3.4Å |
| 35 | C | 98.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 81.2 Ų | 81.2 | 7% | 0.068 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.2 | -34.7 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | L31 D38 C39 C59 | L31-C35 VanDerWaalsContact CD1-SG 3.52Å; L31-C35 PolarHBondContact O-N 2.74Å; C35-D38 PolarHBondContact O-N 3.47Å; C35-C39 WeakPolarHBondContact O-CB 3.47Å; C35-C39 PolarHBondContact O-N 3Å; C35-C59 WeakPolarHBondContact CA-SG 3.42Å; C35-C59 HydrophobicContact CB-CB 3.83Å; C35-C59 WeakPolarHBondContact CB-SG 3.43Å; C35-C59 VanDerWaalsContact SG-C 3.6Å; C35-C59 WeakPolarHBondContact SG-CB 3.43Å; C35-C59 CovalentContact SG-SG 2.05Å; C35-C59 PolarHBondContact SG-SG 2.88Å |
| 36 | F | 98.1 | Very high | 97 | Very high | 115 Ų | 115 | 89.5 Ų | 89.5 | 50% | 0.504 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 173 | -179.5 | -93.3 | 0 | 0 | 0 | 111.2 | S32 E33 T34 D38 I40 F43 | S32-F36 VanDerWaalsContact O-CB 3.22Å; S32-F36 WeakPolarHBondContact O-CB 3.49Å; S32-F36 PolarHBondContact O-N 2.91Å; E33-F36 PolarHBondContact O-N 2.91Å; T34-F36 PolarHBondContact O-N 3.13Å; F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 3.27Å; F36-I40 HydrophobicContact CD2-CB 3.91Å; F36-I40 HydrophobicContact CD2-CG1 3.51Å; F36-I40 HydrophobicContact CD2-CG2 4.39Å; F36-I40 HydrophobicContact CE2-CB 3.86Å; F36-I40 HydrophobicContact CE2-CG1 3.85Å; F36-I40 HydrophobicContact CE2-CG2 3.86Å; F36-I40 HydrophobicContact CG-CB 4.45Å; F36-I40 HydrophobicContact CG-CG1 4.22Å; F36-I40 HydrophobicContact CZ-CB 4.36Å; F36-I40 HydrophobicContact CZ-CG2 4.28Å; F36-I40 WeakPolarHBondContact O-CB 3.29Å; F36-I40 PolarHBondContact O-N 2.94Å; F36-F43 HydrophobicContact CZ-CE1 4.15Å; F36-F43 HydrophobicContact CZ-CZ 4.23Å |
| 37 | T | 97.8 | Very high | 97 | Very high | 94 Ų | 94 | 89.7 Ų | 89.7 | 58% | 0.577 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | -179 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | E33 T34 | E33-T37 WeakPolarHBondContact O-CB 3.23Å; E33-T37 PolarHBondContact O-N 3.14Å; E33-T37 PolarHBondContact O-OG1 2.98Å; T34-T37 PolarHBondContact O-N 3.42Å |
| 38 | D | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -81.4 | -35.1 | -176.9 | -75 | -14.8 | 0 | 0 | 0 | 113.1 | T34 C35 F36 R41 | T34-D38 WeakPolarHBondContact O-CB 3.42Å; T34-D38 PolarHBondContact O-N 3.4Å; C35-D38 PolarHBondContact O-N 3.47Å; F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 3.27Å; D38-R41 VanDerWaalsContact O-CZ 3.29Å; D38-R41 PolarHBondContact O-NE 3.3Å; D38-R41 PolarHBondContact O-NH2 2.59Å |
| 39 | C | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 88.6 Ų | 88.6 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -108.1 | -32.7 | -167.4 | -68.1 | 0 | 0 | 0 | 0 | 115.5 | C35 R41 C55 S56 | C35-C39 WeakPolarHBondContact O-CB 3.47Å; C35-C39 PolarHBondContact O-N 3Å; C39-R41 PolarHBondContact O-N 3Å; C39-C55 WeakPolarHBondContact CA-SG 3.36Å; C39-C55 HydrophobicContact CB-CB 3.54Å; C39-C55 WeakPolarHBondContact CB-SG 3.44Å; C39-C55 WeakPolarHBondContact SG-CB 3.34Å; C39-C55 PolarHBondContact SG-O 3.37Å; C39-C55 CovalentContact SG-SG 2.05Å; C39-C55 PolarHBondContact SG-SG 3.28Å; C39-S56 PolarHBondContact SG-N 3.43Å; C39-S56 VanDerWaalsContact SG-N 3.43Å |
| 40 | I | 97.5 | Very high | 96.9 | Very high | 29 Ų | 29 | 90.5 Ų | 90.5 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | trans | -88.2 | 111.2 | -179.1 | -51.8 | -50.9 | 0 | 0 | 0 | 108.5 | F36 F43 V48 E52 | F36-I40 HydrophobicContact CD2-CB 3.91Å; F36-I40 HydrophobicContact CD2-CG1 3.51Å; F36-I40 HydrophobicContact CD2-CG2 4.39Å; F36-I40 HydrophobicContact CE2-CB 3.86Å; F36-I40 HydrophobicContact CE2-CG1 3.85Å; F36-I40 HydrophobicContact CE2-CG2 3.86Å; F36-I40 HydrophobicContact CG-CB 4.45Å; F36-I40 HydrophobicContact CG-CG1 4.22Å; F36-I40 HydrophobicContact CZ-CB 4.36Å; F36-I40 HydrophobicContact CZ-CG2 4.28Å; F36-I40 WeakPolarHBondContact O-CB 3.29Å; F36-I40 PolarHBondContact O-N 2.94Å; I40-F43 HydrophobicContact CG2-CE1 3.96Å; I40-F43 HydrophobicContact CG2-CZ 3.94Å; I40-V48 HydrophobicContact CD1-CG1 4.3Å; I40-E52 WeakPolarHBondContact CA-OE1 3.5Å; I40-E52 HydrophobicContact CD1-CB 3.84Å; I40-E52 HydrophobicContact CD1-CG 4.48Å | ||
| 41 | R | 95.7 | Very high | 96.8 | Very high | 195 Ų | 195 | 89.7 Ų | 89.7 | 74% | 0.736 | 45% | 0.454 | S | S | * | . | trans | -131.3 | -18.5 | -173.1 | -59.7 | -178.6 | -172.3 | 177.9 | 0.7 | 112.6 | D38 C39 E52 | D38-R41 VanDerWaalsContact O-CZ 3.29Å; D38-R41 PolarHBondContact O-NE 3.3Å; D38-R41 PolarHBondContact O-NH2 2.59Å; C39-R41 PolarHBondContact O-N 3Å; R41-E52 PolarHBondContact N-OE1 2.97Å | ||
| 42 | D | 95 | Very high | 96.9 | Very high | 48 Ų | 48 | 89.1 Ų | 89.1 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | trans | -105.1 | 113.2 | -178 | -161.7 | -38.4 | 0 | 0 | 0 | 111.1 | T44 K49 E52 | D42-T44 VanDerWaalsContact OD1-CB 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.29Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.33Å; D42-T44 PolarHBondContact OD1-N 3.02Å; D42-T44 PolarHBondContact OD1-OG1 2.84Å; D42-K49 HydrophobicContact CB-CD 4.24Å; D42-K49 VanDerWaalsContact CG-NZ 3.29Å; D42-K49 IonicContact OD1-NZ 2.8Å; D42-K49 VanDerWaalsContact OD2-CE 3.24Å; D42-K49 WeakPolarHBondContact OD2-CE 3.37Å; D42-K49 IonicContact OD2-NZ 2.59Å; D42-K49 PolarHBondContact OD2-NZ 3.15Å; D42-E52 PolarHBondContact N-OE1 3.03Å | ||
| 43 | F | 96.3 | Very high | 96.8 | Very high | 147 Ų | 147 | 91.5 Ų | 91.5 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | trans | -109.4 | 22.2 | 179.1 | -60.1 | -82.7 | 0 | 0 | 0 | 112.1 | F36 I40 | F36-F43 HydrophobicContact CZ-CE1 4.15Å; F36-F43 HydrophobicContact CZ-CZ 4.23Å; I40-F43 HydrophobicContact CG2-CE1 3.96Å; I40-F43 HydrophobicContact CG2-CZ 3.94Å | ||
| 44 | T | 96.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 69% | 0.693 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -80.3 | -21.9 | 176.5 | 62 | 0 | 0 | 0 | 0 | 112.9 | D42 | D42-T44 VanDerWaalsContact OD1-CB 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.29Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.33Å; D42-T44 PolarHBondContact OD1-N 3.02Å; D42-T44 PolarHBondContact OD1-OG1 2.84Å |
| 45 | T | 95 | Very high | 96.9 | Very high | 65 Ų | 65 | 93.8 Ų | 93.8 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -125.8 | 156.7 | 178 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | D47 | T45-D47 VanDerWaalsContact C-N 3.29Å; T45-D47 PolarHBondContact OG1-O 3.24Å |
| 46 | R | 95.6 | Very high | 96.8 | Very high | 248 Ų | 248 | 95 Ų | 95 | 94% | 0.936 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -80.6 | -16.6 | 171.1 | -65.3 | -178.1 | 70.6 | 172.2 | 2.1 | 112.5 | ||
| 47 | D | 96.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 94 Ų | 94 | 67% | 0.674 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -86.8 | 140.7 | 178.5 | -54 | -48.8 | 0 | 0 | 0 | 110.2 | T45 | T45-D47 VanDerWaalsContact C-N 3.29Å; T45-D47 PolarHBondContact OG1-O 3.24Å |
| 48 | V | 95.7 | Very high | 96.9 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 126.7 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | I40 E52 E53 | I40-V48 HydrophobicContact CD1-CG1 4.3Å; V48-E52 HydrophobicContact CG1-CB 3.75Å; V48-E53 HydrophobicContact CG1-CB 4.31Å |
| 49 | K | 95.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 90.5 Ų | 90.5 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -74 | 150.3 | 179.2 | -62.1 | -173.9 | 177.9 | -170.5 | 0 | 110.7 | D42 S51 E52 E53 | D42-K49 HydrophobicContact CB-CD 4.24Å; D42-K49 VanDerWaalsContact CG-NZ 3.29Å; D42-K49 IonicContact OD1-NZ 2.8Å; D42-K49 VanDerWaalsContact OD2-CE 3.24Å; D42-K49 WeakPolarHBondContact OD2-CE 3.37Å; D42-K49 IonicContact OD2-NZ 2.59Å; D42-K49 PolarHBondContact OD2-NZ 3.15Å; K49-S51 PolarHBondContact O-N 3.44Å; K49-E52 HydrophobicContact CB-CG 4.29Å; K49-E52 PolarHBondContact N-OE2 2.97Å; K49-E52 VanDerWaalsContact N-OE2 3.14Å; K49-E52 WeakPolarHBondContact O-CA 3.37Å; K49-E52 WeakPolarHBondContact O-CB 3.46Å; K49-E52 PolarHBondContact O-N 2.83Å; K49-E53 PolarHBondContact O-N 2.86Å |
| 50 | D | 96.8 | Very high | 96.9 | Very high | 136 Ų | 136 | 94.1 Ų | 94.1 | 73% | 0.727 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -50.6 | -34.7 | 177 | -61.5 | -5.2 | 0 | 0 | 0 | 113.2 | K54 | D50-K54 VanDerWaalsContact O-CB 3.3Å; D50-K54 WeakPolarHBondContact O-CB 3.39Å; D50-K54 PolarHBondContact O-N 3.32Å |
| 51 | S | 96.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 59% | 0.594 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | K49 C55 | K49-S51 PolarHBondContact O-N 3.44Å; S51-C55 WeakPolarHBondContact O-CB 3.36Å; S51-C55 PolarHBondContact O-N 3.32Å |
| 52 | E | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 95.7 Ų | 95.7 | 5% | 0.047 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -75.6 | -38.4 | 179.3 | -63.7 | -177.4 | 131.4 | 0 | 0 | 110.9 | I40 R41 D42 V48 K49 C55 S56 | I40-E52 WeakPolarHBondContact CA-OE1 3.5Å; I40-E52 HydrophobicContact CD1-CB 3.84Å; I40-E52 HydrophobicContact CD1-CG 4.48Å; R41-E52 PolarHBondContact N-OE1 2.97Å; D42-E52 PolarHBondContact N-OE1 3.03Å; V48-E52 HydrophobicContact CG1-CB 3.75Å; K49-E52 HydrophobicContact CB-CG 4.29Å; K49-E52 PolarHBondContact N-OE2 2.97Å; K49-E52 VanDerWaalsContact N-OE2 3.14Å; K49-E52 WeakPolarHBondContact O-CA 3.37Å; K49-E52 WeakPolarHBondContact O-CB 3.46Å; K49-E52 PolarHBondContact O-N 2.83Å; E52-C55 PolarHBondContact O-N 2.88Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.15Å; E52-S56 PolarHBondContact O-OG 3.03Å |
| 53 | E | 97.3 | Very high | 97.1 | Very high | 109 Ų | 109 | 95.2 Ų | 95.2 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 172.2 | -175.2 | -179 | 175.1 | 0 | 0 | 110.6 | V48 K49 C55 S56 L57 | V48-E53 HydrophobicContact CG1-CB 4.31Å; K49-E53 PolarHBondContact O-N 2.86Å; E53-C55 VanDerWaalsContact C-N 3.3Å; E53-C55 PolarHBondContact O-N 2.9Å; E53-S56 PolarHBondContact O-N 3.17Å; E53-S56 VanDerWaalsContact O-N 3.11Å; E53-L57 HydrophobicContact CG-CD1 4.39Å; E53-L57 WeakPolarHBondContact O-CG 3.34Å; E53-L57 PolarHBondContact O-N 3.39Å |
| 54 | K | 98 | Very high | 97.2 | Very high | 145 Ų | 145 | 92.6 Ų | 92.6 | 63% | 0.63 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 176.6 | -175.1 | 175.3 | -178.5 | 176.8 | 0 | 112.1 | D50 N58 | D50-K54 VanDerWaalsContact O-CB 3.3Å; D50-K54 WeakPolarHBondContact O-CB 3.39Å; D50-K54 PolarHBondContact O-N 3.32Å; K54-N58 WeakPolarHBondContact O-CB 3.48Å; K54-N58 VanDerWaalsContact O-CG 3.25Å; K54-N58 PolarHBondContact O-N 3.17Å; K54-N58 VanDerWaalsContact O-N 3.14Å; K54-N58 PolarHBondContact O-ND2 2.85Å |
| 55 | C | 98.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 93 Ų | 93 | 30% | 0.297 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | C39 S51 E52 E53 L57 N58 C59 | C39-C55 WeakPolarHBondContact CA-SG 3.36Å; C39-C55 HydrophobicContact CB-CB 3.54Å; C39-C55 WeakPolarHBondContact CB-SG 3.44Å; C39-C55 WeakPolarHBondContact SG-CB 3.34Å; C39-C55 PolarHBondContact SG-O 3.37Å; C39-C55 CovalentContact SG-SG 2.05Å; C39-C55 PolarHBondContact SG-SG 3.28Å; S51-C55 WeakPolarHBondContact O-CB 3.36Å; S51-C55 PolarHBondContact O-N 3.32Å; E52-C55 PolarHBondContact O-N 2.88Å; E53-C55 VanDerWaalsContact C-N 3.3Å; E53-C55 PolarHBondContact O-N 2.9Å; C55-L57 PolarHBondContact O-N 2.92Å; C55-N58 PolarHBondContact O-N 3.05Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.44Å; C55-C59 PolarHBondContact O-N 3.45Å |
| 56 | S | 98 | Very high | 97.3 | Very high | 34 Ų | 34 | 94.5 Ų | 94.5 | 24% | 0.238 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | -177 | -58.5 | 0 | 0 | 0 | 0 | 112 | C39 E52 E53 C59 M60 | C39-S56 PolarHBondContact SG-N 3.43Å; C39-S56 VanDerWaalsContact SG-N 3.43Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.15Å; E52-S56 PolarHBondContact O-OG 3.03Å; E53-S56 PolarHBondContact O-N 3.17Å; E53-S56 VanDerWaalsContact O-N 3.11Å; S56-C59 WeakPolarHBondContact O-CB 3.44Å; S56-C59 PolarHBondContact O-N 3.39Å; S56-M60 PolarHBondContact O-N 3.31Å |
| 57 | L | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 85.1 Ų | 85.1 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 174.3 | -70.9 | 172.9 | 0 | 0 | 0 | 112.2 | E53 C55 C59 M60 E61 | E53-L57 HydrophobicContact CG-CD1 4.39Å; E53-L57 WeakPolarHBondContact O-CG 3.34Å; E53-L57 PolarHBondContact O-N 3.39Å; C55-L57 PolarHBondContact O-N 2.92Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.47Å; L57-M60 HydrophobicContact CD2-CE 4.42Å; L57-M60 PolarHBondContact O-N 2.91Å; L57-E61 PolarHBondContact O-N 3.4Å |
| 58 | N | 98.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 86.1 Ų | 86.1 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 176.6 | -70.6 | -32.6 | 0 | 0 | 0 | 111.9 | K54 C55 E61 K62 | K54-N58 WeakPolarHBondContact O-CB 3.48Å; K54-N58 VanDerWaalsContact O-CG 3.25Å; K54-N58 PolarHBondContact O-N 3.17Å; K54-N58 VanDerWaalsContact O-N 3.14Å; K54-N58 PolarHBondContact O-ND2 2.85Å; C55-N58 PolarHBondContact O-N 3.05Å; N58-E61 PolarHBondContact O-N 3.41Å; N58-K62 WeakPolarHBondContact O-CB 3.21Å; N58-K62 PolarHBondContact O-N 3.5Å |
| 59 | C | 98.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 88.3 Ų | 88.3 | 13% | 0.128 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | C35 C55 S56 L57 K62 Y63 | C35-C59 WeakPolarHBondContact CA-SG 3.42Å; C35-C59 HydrophobicContact CB-CB 3.83Å; C35-C59 WeakPolarHBondContact CB-SG 3.43Å; C35-C59 VanDerWaalsContact SG-C 3.6Å; C35-C59 WeakPolarHBondContact SG-CB 3.43Å; C35-C59 CovalentContact SG-SG 2.05Å; C35-C59 PolarHBondContact SG-SG 2.88Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.44Å; C55-C59 PolarHBondContact O-N 3.45Å; S56-C59 WeakPolarHBondContact O-CB 3.44Å; S56-C59 PolarHBondContact O-N 3.39Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.47Å; C59-K62 PolarHBondContact O-N 3.02Å; C59-Y63 VanDerWaalsContact O-CB 3.22Å; C59-Y63 WeakPolarHBondContact O-CB 3.22Å; C59-Y63 PolarHBondContact O-N 3.28Å |
| 60 | M | 97.8 | Very high | 97.5 | Very high | 83 Ų | 83 | 88.9 Ų | 88.9 | 41% | 0.409 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 176 | 173.7 | -175.1 | 76.5 | 0 | 0 | 111.9 | L31 S56 L57 K62 Y63 L64 | L31-M60 HydrophobicContact CD1-CB 4.35Å; L31-M60 HydrophobicContact CD2-CG 4.07Å; S56-M60 PolarHBondContact O-N 3.31Å; L57-M60 HydrophobicContact CD2-CE 4.42Å; L57-M60 PolarHBondContact O-N 2.91Å; M60-K62 VanDerWaalsContact C-N 3.34Å; M60-K62 PolarHBondContact O-N 3.48Å; M60-Y63 PolarHBondContact O-N 2.83Å; M60-L64 HydrophobicContact CG-CD1 4Å; M60-L64 WeakPolarHBondContact O-CG 3.39Å; M60-L64 PolarHBondContact O-N 2.84Å |
| 61 | E | 97.9 | Very high | 97.5 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | -178.6 | -170.6 | -175.1 | 168.6 | 0 | 0 | 111.6 | L57 N58 L64 K65 | L57-E61 PolarHBondContact O-N 3.4Å; N58-E61 PolarHBondContact O-N 3.41Å; E61-L64 PolarHBondContact O-N 2.83Å; E61-K65 HydrophobicContact CG-CD 4.19Å; E61-K65 WeakPolarHBondContact O-CB 3.34Å; E61-K65 WeakPolarHBondContact O-CG 3.14Å; E61-K65 PolarHBondContact O-N 3.24Å; E61-K65 WeakPolarHBondContact OE1-CE 3.47Å; E61-K65 IonicContact OE1-NZ 2.66Å; E61-K65 PolarHBondContact OE1-NZ 2.95Å |
| 62 | K | 98.3 | Very high | 97.5 | Very high | 160 Ų | 160 | 85.3 Ų | 85.3 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 177.3 | -176.1 | -179.1 | 178 | -173.2 | 0 | 111.6 | N58 C59 M60 K65 M66 | N58-K62 WeakPolarHBondContact O-CB 3.21Å; N58-K62 PolarHBondContact O-N 3.5Å; C59-K62 PolarHBondContact O-N 3.02Å; M60-K62 VanDerWaalsContact C-N 3.34Å; M60-K62 PolarHBondContact O-N 3.48Å; K62-K65 PolarHBondContact O-N 2.96Å; K62-M66 WeakPolarHBondContact O-CB 3.17Å; K62-M66 PolarHBondContact O-N 3.43Å |
| 63 | Y | 97.5 | Very high | 97.5 | Very high | 39 Ų | 39 | 90.1 Ų | 90.1 | 15% | 0.153 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 179.3 | -178.1 | -92.9 | 0 | 0 | 0 | 111.3 | L31 C59 M60 M66 N67 | L31-Y63 HydrophobicContact CB-CD1 4.1Å; L31-Y63 HydrophobicContact CB-CE1 3.93Å; L31-Y63 HydrophobicContact CD1-CD1 3.57Å; L31-Y63 HydrophobicContact CD1-CE1 4.26Å; L31-Y63 HydrophobicContact CD1-CG 3.71Å; L31-Y63 HydrophobicContact CD2-CD1 4.46Å; L31-Y63 HydrophobicContact CG-CD1 4.23Å; C59-Y63 VanDerWaalsContact O-CB 3.22Å; C59-Y63 WeakPolarHBondContact O-CB 3.22Å; C59-Y63 PolarHBondContact O-N 3.28Å; M60-Y63 PolarHBondContact O-N 2.83Å; Y63-M66 HydrophobicContact CD2-CE 4.05Å; Y63-M66 HydrophobicContact CE2-CE 4.21Å; Y63-M66 PolarHBondContact O-N 2.96Å; Y63-N67 WeakPolarHBondContact CD1-ND2 3.41Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.49Å; Y63-N67 WeakPolarHBondContact O-CB 3.4Å; Y63-N67 PolarHBondContact O-N 3.4Å; Y63-N67 PolarHBondContact O-ND2 3.14Å |
| 64 | L | 96.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 91.2 Ų | 91.2 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 178.5 | -68.1 | 175 | 0 | 0 | 0 | 111.8 | M60 E61 M66 N67 Q68 | M60-L64 HydrophobicContact CG-CD1 4Å; M60-L64 WeakPolarHBondContact O-CG 3.39Å; M60-L64 PolarHBondContact O-N 2.84Å; E61-L64 PolarHBondContact O-N 2.83Å; L64-M66 VanDerWaalsContact C-N 3.34Å; L64-M66 PolarHBondContact O-N 3.2Å; L64-N67 PolarHBondContact O-N 3.28Å; L64-Q68 PolarHBondContact O-N 3.34Å |
| 65 | K | 97.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 90 Ų | 90 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.3 | -74.7 | 175.6 | 173.4 | 174.7 | 0 | 112.2 | E61 K62 R69 | E61-K65 HydrophobicContact CG-CD 4.19Å; E61-K65 WeakPolarHBondContact O-CB 3.34Å; E61-K65 WeakPolarHBondContact O-CG 3.14Å; E61-K65 PolarHBondContact O-N 3.24Å; E61-K65 WeakPolarHBondContact OE1-CE 3.47Å; E61-K65 IonicContact OE1-NZ 2.66Å; E61-K65 PolarHBondContact OE1-NZ 2.95Å; K62-K65 PolarHBondContact O-N 2.96Å; K65-R69 WeakPolarHBondContact O-CB 2.93Å; K65-R69 PolarHBondContact O-N 3.46Å |
| 66 | M | 97.1 | Very high | 97.4 | Very high | 95 Ų | 95 | 91.6 Ų | 91.6 | 47% | 0.468 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 175.3 | -179.9 | -162.9 | 74.8 | 0 | 0 | 110.8 | K62 Y63 L64 Q68 R69 V70 | K62-M66 WeakPolarHBondContact O-CB 3.17Å; K62-M66 PolarHBondContact O-N 3.43Å; Y63-M66 HydrophobicContact CD2-CE 4.05Å; Y63-M66 HydrophobicContact CE2-CE 4.21Å; Y63-M66 PolarHBondContact O-N 2.96Å; L64-M66 VanDerWaalsContact C-N 3.34Å; L64-M66 PolarHBondContact O-N 3.2Å; M66-Q68 PolarHBondContact O-N 2.96Å; M66-R69 PolarHBondContact O-N 2.96Å; M66-R69 VanDerWaalsContact O-N 3.15Å; M66-V70 HydrophobicContact CG-CG2 4.3Å; M66-V70 WeakPolarHBondContact O-CG2 3.43Å; M66-V70 PolarHBondContact O-N 3.36Å |
| 67 | N | 95.8 | Very high | 97.3 | Very high | 52 Ų | 52 | 96.6 Ų | 96.6 | 28% | 0.278 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 178.2 | -83.5 | -69.4 | 0 | 0 | 0 | 111.5 | Y63 L64 R69 V70 S71 | Y63-N67 WeakPolarHBondContact CD1-ND2 3.41Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.49Å; Y63-N67 WeakPolarHBondContact O-CB 3.4Å; Y63-N67 PolarHBondContact O-N 3.4Å; Y63-N67 PolarHBondContact O-ND2 3.14Å; L64-N67 PolarHBondContact O-N 3.28Å; N67-R69 VanDerWaalsContact C-N 3.29Å; N67-R69 PolarHBondContact O-N 3.47Å; N67-V70 PolarHBondContact O-N 2.79Å; N67-S71 WeakPolarHBondContact O-CB 3.48Å; N67-S71 PolarHBondContact O-N 3.25Å; N67-S71 PolarHBondContact O-OG 3.03Å |
| 68 | Q | 96.3 | Very high | 97.2 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.2 | -43.1 | 175.8 | -172.2 | -178 | 20.9 | 0 | 0 | 112 | L64 M66 Q72 | L64-Q68 PolarHBondContact O-N 3.34Å; M66-Q68 PolarHBondContact O-N 2.96Å; Q68-Q72 WeakPolarHBondContact O-CB 3.27Å; Q68-Q72 PolarHBondContact O-N 3.36Å |
| 69 | R | 98 | Very high | 97.1 | Very high | 132 Ų | 132 | 97.4 Ų | 97.4 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 178.5 | -177 | 56.9 | 166.7 | -160.7 | -12.5 | 112.3 | K65 M66 N67 Q72 R73 | K65-R69 WeakPolarHBondContact O-CB 2.93Å; K65-R69 PolarHBondContact O-N 3.46Å; M66-R69 PolarHBondContact O-N 2.96Å; M66-R69 VanDerWaalsContact O-N 3.15Å; N67-R69 VanDerWaalsContact C-N 3.29Å; N67-R69 PolarHBondContact O-N 3.47Å; R69-Q72 PolarHBondContact O-N 3.44Å; R69-R73 WeakPolarHBondContact O-CG 3.32Å; R69-R73 PolarHBondContact O-N 2.05Å; R69-R73 VanDerWaalsContact O-N 3.13Å |
| 70 | V | 97.2 | Very high | 96.9 | Very high | 86 Ų | 86 | 100.8 Ų | 100.8 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110 | M66 N67 Q72 R73 F74 | M66-V70 HydrophobicContact CG-CG2 4.3Å; M66-V70 WeakPolarHBondContact O-CG2 3.43Å; M66-V70 PolarHBondContact O-N 3.36Å; N67-V70 PolarHBondContact O-N 2.79Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; V70-Q72 PolarHBondContact O-N 2.97Å; V70-R73 PolarHBondContact O-N 3.32Å; V70-F74 WeakPolarHBondContact O-CB 3.48Å; V70-F74 PolarHBondContact O-N 3.43Å |
| 71 | S | 96.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 98.8 Ų | 98.8 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | N67 R73 F74 Q75 | N67-S71 WeakPolarHBondContact O-CB 3.48Å; N67-S71 PolarHBondContact O-N 3.25Å; N67-S71 PolarHBondContact O-OG 3.03Å; S71-R73 PolarHBondContact O-N 3.47Å; S71-F74 PolarHBondContact O-N 3.29Å; S71-Q75 WeakPolarHBondContact O-CB 3.29Å; S71-Q75 VanDerWaalsContact O-CG 3.29Å; S71-Q75 WeakPolarHBondContact O-CG 3.06Å; S71-Q75 PolarHBondContact O-N 3.01Å |
| 72 | Q | 97.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 175.6 | 177.8 | 178.4 | 52 | 0 | 0 | 111.8 | Q68 R69 V70 Q75 E76 | Q68-Q72 WeakPolarHBondContact O-CB 3.27Å; Q68-Q72 PolarHBondContact O-N 3.36Å; R69-Q72 PolarHBondContact O-N 3.44Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; V70-Q72 PolarHBondContact O-N 2.97Å; Q72-Q75 PolarHBondContact O-N 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.3Å; Q72-E76 PolarHBondContact O-N 3Å |
| 73 | R | 98 | Very high | 96.3 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | -179.7 | -61.8 | -57.5 | 169.7 | -173.8 | -9.7 | 112.7 | R69 V70 S71 E76 F77 | R69-R73 WeakPolarHBondContact O-CG 3.32Å; R69-R73 PolarHBondContact O-N 2.05Å; R69-R73 VanDerWaalsContact O-N 3.13Å; V70-R73 PolarHBondContact O-N 3.32Å; S71-R73 PolarHBondContact O-N 3.47Å; R73-E76 VanDerWaalsContact CD-OE2 3.23Å; R73-E76 WeakPolarHBondContact CD-OE2 3.33Å; R73-E76 IonicContact CZ-OE1 2.58Å; R73-E76 IonicContact CZ-OE2 3.56Å; R73-E76 IonicContact NE-OE2 3.53Å; R73-E76 VanDerWaalsContact NH1-CD 3.26Å; R73-E76 IonicContact NH1-OE1 3.74Å; R73-E76 PolarHBondContact NH1-OE1 2.98Å; R73-E76 IonicContact NH1-OE2 3.05Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 3.28Å; R73-F77 WeakPolarHBondContact O-CB 3.05Å; R73-F77 PolarHBondContact O-N 2.94Å |
| 74 | F | 97.1 | Very high | 96.1 | Very high | 132 Ų | 132 | 100 Ų | 100 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 174.1 | -175.3 | -99.9 | 0 | 0 | 0 | 111.4 | V70 S71 F77 Q78 | V70-F74 WeakPolarHBondContact O-CB 3.48Å; V70-F74 PolarHBondContact O-N 3.43Å; S71-F74 PolarHBondContact O-N 3.29Å; F74-F77 PolarHBondContact O-N 3.46Å; F74-Q78 WeakPolarHBondContact O-CB 3.45Å; F74-Q78 PolarHBondContact O-N 3.35Å |
| 75 | Q | 96.7 | Very high | 95.9 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 175.1 | -73.7 | 172.2 | -16.1 | 0 | 0 | 112 | S71 Q72 F77 Q78 V79 | S71-Q75 WeakPolarHBondContact O-CB 3.29Å; S71-Q75 VanDerWaalsContact O-CG 3.29Å; S71-Q75 WeakPolarHBondContact O-CG 3.06Å; S71-Q75 PolarHBondContact O-N 3.01Å; Q72-Q75 PolarHBondContact O-N 3.38Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.41Å; Q75-Q78 PolarHBondContact O-N 3.42Å; Q75-V79 WeakPolarHBondContact O-CG2 3.07Å; Q75-V79 PolarHBondContact O-N 3.36Å |
| 76 | E | 96.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 96.6 Ų | 96.6 | 36% | 0.355 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 174.8 | -71 | 169.5 | -169.2 | 0 | 0 | 111.7 | Q72 R73 V79 I80 | Q72-E76 WeakPolarHBondContact O-CG 3.3Å; Q72-E76 PolarHBondContact O-N 3Å; R73-E76 VanDerWaalsContact CD-OE2 3.23Å; R73-E76 WeakPolarHBondContact CD-OE2 3.33Å; R73-E76 IonicContact CZ-OE1 2.58Å; R73-E76 IonicContact CZ-OE2 3.56Å; R73-E76 IonicContact NE-OE2 3.53Å; R73-E76 VanDerWaalsContact NH1-CD 3.26Å; R73-E76 IonicContact NH1-OE1 3.74Å; R73-E76 PolarHBondContact NH1-OE1 2.98Å; R73-E76 IonicContact NH1-OE2 3.05Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 3.28Å; E76-V79 PolarHBondContact O-N 3.46Å; E76-I80 WeakPolarHBondContact O-CG1 3.18Å; E76-I80 PolarHBondContact O-N 3.43Å; E76-I80 VanDerWaalsContact O-N 3.16Å |
| 77 | F | 96.9 | Very high | 95.2 | Very high | 140 Ų | 140 | 94 Ų | 94 | 61% | 0.614 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.8 | 179.5 | -97.9 | 0 | 0 | 0 | 112.2 | R73 F74 Q75 V79 I80 A81 | R73-F77 WeakPolarHBondContact O-CB 3.05Å; R73-F77 PolarHBondContact O-N 2.94Å; F74-F77 PolarHBondContact O-N 3.46Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.41Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 2.99Å; F77-I80 PolarHBondContact O-N 3.11Å; F77-A81 HydrophobicContact CE1-CB 4.4Å; F77-A81 VanDerWaalsContact O-CB 3.3Å; F77-A81 WeakPolarHBondContact O-CB 3Å; F77-A81 PolarHBondContact O-N 2.99Å |
| 78 | Q | 95.7 | Very high | 94.9 | Very high | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.5 | -172.3 | 175.5 | 22 | 0 | 0 | 111.9 | F74 Q75 H82 | F74-Q78 WeakPolarHBondContact O-CB 3.45Å; F74-Q78 PolarHBondContact O-N 3.35Å; Q75-Q78 PolarHBondContact O-N 3.42Å; Q78-H82 VanDerWaalsContact O-CB 3.29Å; Q78-H82 WeakPolarHBondContact O-CB 3.39Å; Q78-H82 PolarHBondContact O-N 2.75Å |
| 79 | V | 95.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 92 Ų | 92 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -50.9 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Q75 E76 F77 A81 H82 E83 | Q75-V79 WeakPolarHBondContact O-CG2 3.07Å; Q75-V79 PolarHBondContact O-N 3.36Å; E76-V79 PolarHBondContact O-N 3.46Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 2.99Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.28Å; V79-H82 PolarHBondContact O-N 2.87Å; V79-E83 WeakPolarHBondContact O-CG 3.4Å; V79-E83 PolarHBondContact O-N 2.93Å |
| 80 | I | 95.2 | Very high | 93.8 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.3 | -65.8 | 166 | 0 | 0 | 0 | 111.2 | E76 F77 H82 E83 N84 | E76-I80 WeakPolarHBondContact O-CG1 3.18Å; E76-I80 PolarHBondContact O-N 3.43Å; E76-I80 VanDerWaalsContact O-N 3.16Å; F77-I80 PolarHBondContact O-N 3.11Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 2.05Å; I80-E83 PolarHBondContact O-N 3.49Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.44Å; I80-N84 WeakPolarHBondContact O-CB 3.36Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3Å; I80-N84 PolarHBondContact O-ND2 2.73Å; I80-N84 VanDerWaalsContact O-ND2 3.11Å |
| 81 | A | 95 | Very high | 93 | Very high | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F77 V79 A85 | F77-A81 HydrophobicContact CE1-CB 4.4Å; F77-A81 VanDerWaalsContact O-CB 3.3Å; F77-A81 WeakPolarHBondContact O-CB 3Å; F77-A81 PolarHBondContact O-N 2.99Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.28Å; A81-A85 WeakPolarHBondContact O-CB 3.46Å; A81-A85 PolarHBondContact O-N 2.8Å |
| 82 | H | 93.4 | Very high | 92.1 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.5 | -178.4 | -99.2 | 0 | 0 | 0 | 112 | Q78 V79 I80 N84 A85 L86 | Q78-H82 VanDerWaalsContact O-CB 3.29Å; Q78-H82 WeakPolarHBondContact O-CB 3.39Å; Q78-H82 PolarHBondContact O-N 2.75Å; V79-H82 PolarHBondContact O-N 2.87Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 2.05Å; H82-N84 PolarHBondContact O-N 3.34Å; H82-A85 PolarHBondContact O-N 2.98Å; H82-L86 VanDerWaalsContact CE1-CD1 3.4Å; H82-L86 WeakPolarHBondContact CE1-CD1 3.22Å; H82-L86 WeakPolarHBondContact O-CG 3.48Å; H82-L86 PolarHBondContact O-N 2.92Å |
| 83 | E | 93 | Very high | 90.4 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.5 | -72.4 | 177.4 | 168.1 | 0 | 0 | 111.8 | V79 I80 A85 L86 A87 | V79-E83 WeakPolarHBondContact O-CG 3.4Å; V79-E83 PolarHBondContact O-N 2.93Å; I80-E83 PolarHBondContact O-N 3.49Å; E83-A85 VanDerWaalsContact C-N 3.35Å; E83-A85 PolarHBondContact O-N 2.96Å; E83-L86 PolarHBondContact O-N 3.45Å; E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 3.03Å |
| 84 | N | 92.5 | Very high | 88.4 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.4 | -73.1 | -32.4 | 0 | 0 | 0 | 112.2 | I80 H82 A87 M88 | I80-N84 WeakPolarHBondContact CG2-ND2 3.44Å; I80-N84 WeakPolarHBondContact O-CB 3.36Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3Å; I80-N84 PolarHBondContact O-ND2 2.73Å; I80-N84 VanDerWaalsContact O-ND2 3.11Å; H82-N84 PolarHBondContact O-N 3.34Å; N84-A87 PolarHBondContact O-N 2.73Å; N84-M88 WeakPolarHBondContact O-CG 3.24Å; N84-M88 PolarHBondContact O-N 3.48Å |
| 85 | A | 92.3 | Very high | 86.2 | Confident | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A81 H82 E83 M88 A89 | A81-A85 WeakPolarHBondContact O-CB 3.46Å; A81-A85 PolarHBondContact O-N 2.8Å; H82-A85 PolarHBondContact O-N 2.98Å; E83-A85 VanDerWaalsContact C-N 3.35Å; E83-A85 PolarHBondContact O-N 2.96Å; A85-M88 PolarHBondContact O-N 2.97Å; A85-A89 PolarHBondContact O-N 2.97Å |
| 86 | L | 90.8 | Very high | 85.7 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.1 | -43.1 | 175 | -71.1 | 176.4 | 0 | 0 | 0 | 112 | H82 E83 M88 A89 Q90 | H82-L86 VanDerWaalsContact CE1-CD1 3.4Å; H82-L86 WeakPolarHBondContact CE1-CD1 3.22Å; H82-L86 WeakPolarHBondContact O-CG 3.48Å; H82-L86 PolarHBondContact O-N 2.92Å; E83-L86 PolarHBondContact O-N 3.45Å; L86-M88 VanDerWaalsContact C-N 3.3Å; L86-M88 PolarHBondContact O-N 2.8Å; L86-A89 PolarHBondContact O-N 3.46Å; L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.39Å |
| 87 | A | 90.2 | Very high | 85.1 | Confident | 40 Ų | 40 | 106.6 Ų | 106.6 | 33% | 0.331 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E83 N84 K91 | E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 3.03Å; N84-A87 PolarHBondContact O-N 2.73Å; A87-K91 WeakPolarHBondContact O-CG 3.26Å; A87-K91 PolarHBondContact O-N 3.14Å; A87-K91 VanDerWaalsContact O-N 3.14Å |
| 88 | M | 88 | Confident | 84.5 | Confident | 121 Ų | 121 | 104.7 Ų | 104.7 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -38.2 | 173.4 | -73 | -169.7 | -71.1 | 0 | 0 | 112.6 | N84 A85 L86 Q90 K91 T92 | N84-M88 WeakPolarHBondContact O-CG 3.24Å; N84-M88 PolarHBondContact O-N 3.48Å; A85-M88 PolarHBondContact O-N 2.97Å; L86-M88 VanDerWaalsContact C-N 3.3Å; L86-M88 PolarHBondContact O-N 2.8Å; M88-Q90 VanDerWaalsContact C-N 3.33Å; M88-Q90 PolarHBondContact O-N 2.97Å; M88-K91 PolarHBondContact O-N 2.58Å; M88-T92 WeakPolarHBondContact O-CG2 3.39Å; M88-T92 PolarHBondContact O-N 3.01Å; M88-T92 PolarHBondContact O-OG1 2.82Å |
| 89 | A | 88.8 | Confident | 83.8 | Confident | 36 Ų | 36 | 104.1 Ų | 104.1 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A85 L86 T92 G93 | A85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.46Å; A89-T92 PolarHBondContact O-N 2.92Å; A89-T92 PolarHBondContact O-OG1 2.86Å; A89-G93 PolarHBondContact O-N 3.02Å |
| 90 | Q | 84.2 | Confident | 83 | Confident | 145 Ų | 145 | 105.4 Ų | 105.4 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.8 | -41 | 174.5 | -70.9 | 175.1 | -0.9 | 0 | 0 | 112.1 | L86 M88 T92 G93 | L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.39Å; M88-Q90 VanDerWaalsContact C-N 3.33Å; M88-Q90 PolarHBondContact O-N 2.97Å; Q90-T92 VanDerWaalsContact C-N 3.33Å; Q90-T92 PolarHBondContact O-N 2.78Å; Q90-G93 PolarHBondContact O-N 2.56Å |
| 91 | K | 79.6 | Confident | 82.2 | Confident | 190 Ų | 190 | 106.5 Ų | 106.5 | 83% | 0.826 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -27.3 | 178 | -74.6 | 179.5 | -179.4 | -179.7 | 0 | 114.1 | A87 M88 | A87-K91 WeakPolarHBondContact O-CG 3.26Å; A87-K91 PolarHBondContact O-N 3.14Å; A87-K91 VanDerWaalsContact O-N 3.14Å; M88-K91 PolarHBondContact O-N 2.58Å |
| 92 | T | 77.6 | Confident | 81.3 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 4.9 | -178.3 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | M88 A89 Q90 K94 | M88-T92 WeakPolarHBondContact O-CG2 3.39Å; M88-T92 PolarHBondContact O-N 3.01Å; M88-T92 PolarHBondContact O-OG1 2.82Å; A89-T92 PolarHBondContact O-N 2.92Å; A89-T92 PolarHBondContact O-OG1 2.86Å; Q90-T92 VanDerWaalsContact C-N 3.33Å; Q90-T92 PolarHBondContact O-N 2.78Å; T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 2.89Å |
| 93 | G | 62 | Low | 80.4 | Confident | 63 Ų | 63 | 110.9 Ų | 110.9 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.6 | 30 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A89 Q90 | A89-G93 PolarHBondContact O-N 3.02Å; Q90-G93 PolarHBondContact O-N 2.56Å |
| 94 | K | 55.1 | Low | 79.3 | Confident | 185 Ų | 185 | 110.5 Ų | 110.5 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | -96.8 | 24.3 | 180 | -104.7 | -171.8 | 178.8 | -173.7 | 0 | 114.4 | T92 | T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 2.89Å | ||
| 95 | L | 51 | Low | 78.1 | Confident | 213 Ų | 213 | 112.3 Ų | 112.3 | 100% | 1.115 | 62% | 0.62 | S | S | * | * | trans | -124.4 | 0 | 164.4 | -72.2 | 170 | 0 | 0 | 0 | 109.3 |
Retrieved 95 of 95 residues in 87.4 ms
(Link to these results)