| 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 | K | 49 | Very low | 48.2 | Very low | 241 Ų | 241 | 129.5 Ų | 129.5 | 100% | 1.048 | 66% | 0.657 | S | S | * | * | 0 | 2.8 | 0 | -88.7 | -175.6 | 173.9 | -178.2 | 0 | 113.3 | |||||
| 2 | E | 44.6 | Very low | 48.3 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | trans | -101.6 | -25.9 | -175.8 | -148.9 | 162.5 | -177.4 | 0 | 0 | 113.1 | T4 | E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.24Å | ||
| 3 | N | 43.8 | Very low | 48.4 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -1.1 | 178.2 | -69.5 | -24.2 | 0 | 0 | 0 | 115.1 | ||
| 4 | T | 46.4 | Very low | 48.1 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -22.9 | 179.9 | -37.1 | 0 | 0 | 0 | 0 | 111.8 | E2 | E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.24Å |
| 5 | I | 48.7 | Very low | 48.1 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 56% | 0.564 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.4 | -32 | -172.6 | -54 | 174.4 | 0 | 0 | 0 | 111.4 | S7 Q9 | I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.38Å; I5-Q9 PolarHBondContact O-N 3.09Å |
| 6 | Q | 50.4 | Low | 48.1 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71 | -26.8 | 175.8 | -78.3 | -178.5 | -14.1 | 0 | 0 | 113.4 | A10 | Q6-A10 PolarHBondContact O-N 3.28Å |
| 7 | S | 52.6 | Low | 47.8 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.7 | -39.7 | 178.3 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | I5 Q9 A10 H11 | I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.38Å; S7-Q9 VanDerWaalsContact C-N 3.31Å; S7-Q9 PolarHBondContact O-N 3.12Å; S7-A10 PolarHBondContact O-N 3.03Å; S7-H11 PolarHBondContact O-CD2 3.1Å; S7-H11 VanDerWaalsContact O-CD2 3.31Å; S7-H11 PolarHBondContact O-N 3.17Å |
| 8 | E | 46.6 | Very low | 47.9 | Very low | 139 Ų | 139 | 117.8 Ų | 117.8 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.8 | -31.9 | 175.2 | -82.5 | -178.9 | 145.7 | 0 | 0 | 112.7 | T12 | E8-T12 WeakPolarHBondContact O-CG2 3.34Å; E8-T12 PolarHBondContact O-N 3.23Å; E8-T12 VanDerWaalsContact O-N 3.15Å; E8-T12 PolarHBondContact O-OG1 2.99Å |
| 9 | Q | 48.7 | Very low | 47.9 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 59% | 0.593 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.6 | -31.8 | 177.8 | -144.2 | 171.1 | 13.3 | 0 | 0 | 112.6 | I5 S7 T12 L13 | I5-Q9 PolarHBondContact O-N 3.09Å; S7-Q9 VanDerWaalsContact C-N 3.31Å; S7-Q9 PolarHBondContact O-N 3.12Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.11Å; Q9-T12 PolarHBondContact O-OG1 3.27Å; Q9-L13 PolarHBondContact O-N 3.5Å |
| 10 | A | 49.2 | Very low | 47.8 | Very low | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.2 | -35.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q6 S7 C14 | Q6-A10 PolarHBondContact O-N 3.28Å; S7-A10 PolarHBondContact O-N 3.03Å; A10-C14 PolarHBondContact O-N 3Å; A10-C14 VanDerWaalsContact O-N 3.15Å |
| 11 | H | 49.7 | Very low | 47.8 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.8 | -30 | 177.5 | -89.8 | -74.4 | 0 | 0 | 0 | 113.6 | S7 S15 | S7-H11 PolarHBondContact O-CD2 3.1Å; S7-H11 VanDerWaalsContact O-CD2 3.31Å; S7-H11 PolarHBondContact O-N 3.17Å; H11-S15 PolarHBondContact O-N 3.41Å; H11-S15 PolarHBondContact O-OG 3.41Å |
| 12 | T | 49.8 | Very low | 47.9 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73 | -39 | 174.5 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | E8 Q9 S15 Q16 | E8-T12 WeakPolarHBondContact O-CG2 3.34Å; E8-T12 PolarHBondContact O-N 3.23Å; E8-T12 VanDerWaalsContact O-N 3.15Å; E8-T12 PolarHBondContact O-OG1 2.99Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.11Å; Q9-T12 PolarHBondContact O-OG1 3.27Å; T12-S15 PolarHBondContact O-N 3.4Å; T12-Q16 WeakPolarHBondContact O-CB 3.38Å; T12-Q16 PolarHBondContact O-N 3.13Å; T12-Q16 VanDerWaalsContact O-N 3.11Å |
| 13 | L | 49.4 | Very low | 47.9 | Very low | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.1 | -36.7 | 175 | -81 | 162.1 | 0 | 0 | 0 | 113.5 | Q9 N17 | Q9-L13 PolarHBondContact O-N 3.5Å; L13-N17 PolarHBondContact O-N 3.21Å |
| 14 | C | 44 | Very low | 48.1 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.2 | -33.9 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | A10 K18 | A10-C14 PolarHBondContact O-N 3Å; A10-C14 VanDerWaalsContact O-N 3.15Å; C14-K18 PolarHBondContact O-N 2.84Å |
| 15 | S | 49.1 | Very low | 47.9 | Very low | 62 Ų | 62 | 106 Ų | 106 | 43% | 0.434 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.2 | -35.8 | 176.5 | -57 | 0 | 0 | 0 | 0 | 111.9 | H11 T12 N17 K18 H19 | H11-S15 PolarHBondContact O-N 3.41Å; H11-S15 PolarHBondContact O-OG 3.41Å; T12-S15 PolarHBondContact O-N 3.4Å; S15-N17 PolarHBondContact O-N 2.85Å; S15-K18 PolarHBondContact O-N 2.81Å; S15-H19 PolarHBondContact O-CD2 3.32Å; S15-H19 PolarHBondContact O-N 3.18Å |
| 16 | Q | 47.7 | Very low | 48 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.9 | -34.4 | 178 | -157.4 | 168 | 16 | 0 | 0 | 112.6 | T12 H19 Q20 | T12-Q16 WeakPolarHBondContact O-CB 3.38Å; T12-Q16 PolarHBondContact O-N 3.13Å; T12-Q16 VanDerWaalsContact O-N 3.11Å; Q16-H19 PolarHBondContact O-N 2.69Å; Q16-Q20 PolarHBondContact O-N 3.19Å |
| 17 | N | 43.4 | Very low | 47.6 | Very low | 98 Ų | 98 | 103.9 Ų | 103.9 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.4 | -33.2 | 174.9 | -116.4 | -47 | 0 | 0 | 0 | 113.1 | L13 S15 L21 | L13-N17 PolarHBondContact O-N 3.21Å; S15-N17 PolarHBondContact O-N 2.85Å; N17-L21 PolarHBondContact O-N 2.86Å; N17-L21 VanDerWaalsContact O-N 3.1Å |
| 18 | K | 48.9 | Very low | 46.9 | Very low | 142 Ų | 142 | 104.7 Ų | 104.7 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.5 | -33 | 174.3 | -85.3 | -176.3 | 173.5 | 178.8 | 0 | 113.2 | C14 S15 N22 | C14-K18 PolarHBondContact O-N 2.84Å; S15-K18 PolarHBondContact O-N 2.81Å; K18-N22 WeakPolarHBondContact O-CB 3.47Å; K18-N22 PolarHBondContact O-N 2.94Å; K18-N22 PolarHBondContact O-ND2 3.27Å |
| 19 | H | 48.7 | Very low | 46.5 | Very low | 128 Ų | 128 | 105 Ų | 105 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.2 | -40.1 | 175.5 | -72.9 | -62.7 | 0 | 0 | 0 | 112.1 | S15 Q16 N22 D23 | S15-H19 PolarHBondContact O-CD2 3.32Å; S15-H19 PolarHBondContact O-N 3.18Å; Q16-H19 PolarHBondContact O-N 2.69Å; H19-N22 PolarHBondContact O-N 3.49Å; H19-D23 PolarHBondContact O-N 2.89Å; H19-D23 VanDerWaalsContact O-N 3.07Å |
| 20 | Q | 45.4 | Very low | 46 | Very low | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.2 | -36.6 | 175.9 | -73 | -177.2 | 7 | 0 | 0 | 113.1 | Q16 D23 I24 | Q16-Q20 PolarHBondContact O-N 3.19Å; Q20-D23 PolarHBondContact O-N 3.48Å; Q20-I24 VanDerWaalsContact O-CD1 3.31Å; Q20-I24 WeakPolarHBondContact O-CD1 3.23Å; Q20-I24 VanDerWaalsContact O-CG1 3.24Å; Q20-I24 WeakPolarHBondContact O-CG1 3.33Å; Q20-I24 PolarHBondContact O-N 2.99Å |
| 21 | L | 47.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.3 | -33.7 | 175.4 | -82.2 | 164.4 | 0 | 0 | 0 | 113.2 | N17 T25 | N17-L21 PolarHBondContact O-N 2.86Å; N17-L21 VanDerWaalsContact O-N 3.1Å; L21-T25 PolarHBondContact O-N 3.49Å; L21-T25 PolarHBondContact O-OG1 2.93Å |
| 22 | N | 50.6 | Low | 44.8 | Very low | 98 Ų | 98 | 104.9 Ų | 104.9 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72 | -33.3 | 174.8 | -78.7 | -17.8 | 0 | 0 | 0 | 112.2 | K18 H19 T25 S26 | K18-N22 WeakPolarHBondContact O-CB 3.47Å; K18-N22 PolarHBondContact O-N 2.94Å; K18-N22 PolarHBondContact O-ND2 3.27Å; H19-N22 PolarHBondContact O-N 3.49Å; N22-T25 PolarHBondContact O-N 3.33Å; N22-S26 WeakPolarHBondContact O-CB 3.37Å; N22-S26 PolarHBondContact O-N 3Å; N22-S26 PolarHBondContact O-OG 3.25Å |
| 23 | D | 45 | Very low | 44.1 | Very low | 110 Ų | 110 | 108.4 Ų | 108.4 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 175.2 | -75 | -19.7 | 0 | 0 | 0 | 112 | H19 Q20 T25 S26 Q27 | H19-D23 PolarHBondContact O-N 2.89Å; H19-D23 VanDerWaalsContact O-N 3.07Å; Q20-D23 PolarHBondContact O-N 3.48Å; D23-T25 VanDerWaalsContact C-N 3.35Å; D23-S26 PolarHBondContact O-N 3.49Å; D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 2.88Å |
| 24 | I | 47.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 108.9 Ų | 108.9 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.9 | -34.5 | 176.3 | -57.8 | 158.5 | 0 | 0 | 0 | 111.1 | Q20 S28 | Q20-I24 VanDerWaalsContact O-CD1 3.31Å; Q20-I24 WeakPolarHBondContact O-CD1 3.23Å; Q20-I24 VanDerWaalsContact O-CG1 3.24Å; Q20-I24 WeakPolarHBondContact O-CG1 3.33Å; Q20-I24 PolarHBondContact O-N 2.99Å; I24-S28 PolarHBondContact O-N 3.2Å; I24-S28 VanDerWaalsContact O-N 3.13Å |
| 25 | T | 42.6 | Very low | 43 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.5 | -35.2 | 175.9 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | L21 N22 D23 S28 Q29 | L21-T25 PolarHBondContact O-N 3.49Å; L21-T25 PolarHBondContact O-OG1 2.93Å; N22-T25 PolarHBondContact O-N 3.33Å; D23-T25 VanDerWaalsContact C-N 3.35Å; T25-S28 PolarHBondContact O-N 3.48Å; T25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | S | 51.4 | Low | 42.4 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 43% | 0.427 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.6 | -35.9 | 175.3 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | N22 D23 Q29 V30 | N22-S26 WeakPolarHBondContact O-CB 3.37Å; N22-S26 PolarHBondContact O-N 3Å; N22-S26 PolarHBondContact O-OG 3.25Å; D23-S26 PolarHBondContact O-N 3.49Å; S26-Q29 PolarHBondContact O-N 3.36Å; S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.24Å |
| 27 | Q | 41 | Very low | 41.8 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.5 | -30.5 | 177.2 | -159.9 | 170.7 | 26.7 | 0 | 0 | 112.4 | D23 Q29 | D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 2.88Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å |
| 28 | S | 38.2 | Very low | 41.6 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.5 | -31.4 | 169.8 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | I24 T25 | I24-S28 PolarHBondContact O-N 3.2Å; I24-S28 VanDerWaalsContact O-N 3.13Å; T25-S28 PolarHBondContact O-N 3.48Å |
| 29 | Q | 38.6 | Very low | 40.9 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.1 | -23.3 | 179.2 | -158.3 | 169.6 | 27.4 | 0 | 0 | 113.7 | T25 S26 Q27 | T25-Q29 PolarHBondContact O-N 2.94Å; S26-Q29 PolarHBondContact O-N 3.36Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å |
| 30 | V | 38.3 | Very low | 40.4 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79.2 | -21.9 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 112 | S26 L32 | S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.24Å; V30-L32 VanDerWaalsContact C-N 3.31Å; V30-L32 PolarHBondContact O-N 2.85Å |
| 31 | G | 33.7 | Very low | 40.2 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 32 | L | 39.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -1.1 | -179.8 | -83 | 162.2 | 0 | 0 | 0 | 113.8 | V30 | V30-L32 VanDerWaalsContact C-N 3.31Å; V30-L32 PolarHBondContact O-N 2.85Å |
| 33 | Q | 35.8 | Very low | 39.2 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 15.7 | -176.1 | -108.4 | -178.1 | 16.6 | 0 | 0 | 115.1 | ||
| 34 | T | 37.6 | Very low | 39 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 21.9 | 179.9 | -26.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 35 | F | 33.6 | Very low | 38.6 | Very low | 202 Ų | 202 | 142 Ų | 142 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -118.3 | 13.6 | 170.5 | -97.4 | -82.3 | 0 | 0 | 0 | 114.2 | A37 | F35-A37 PolarHBondContact O-N 3.4Š|
| 36 | E | 34.6 | Very low | 38.3 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -101.4 | 56.1 | -180 | -153 | 175.5 | -154.9 | 0 | 0 | 111.4 | ||||
| 37 | A | 36.9 | Very low | 38.1 | Very low | 91 Ų | 91 | 154.3 Ų | 154.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -155.8 | 33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F35 | F35-A37 PolarHBondContact O-N 3.4Š|
| 38 | T | 39.2 | Very low | 37.9 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -155.3 | 17.8 | 158.9 | -20.5 | 0 | 0 | 0 | 0 | 115.6 | K40 | T38-K40 PolarHBondContact O-N 2.86Š|
| 39 | D | 32.5 | Very low | 37.8 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -96.4 | 81.1 | 176 | -157.4 | 5.9 | 0 | 0 | 0 | 111.2 | ||||
| 40 | K | 38.2 | Very low | 37.9 | Very low | 189 Ų | 189 | 154 Ų | 154 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 54 | 170.6 | -70.5 | -170.5 | -179.9 | 178.8 | 0 | 110.4 | T38 | T38-K40 PolarHBondContact O-N 2.86Š| ||
| 41 | N | 42.6 | Very low | 38.3 | Very low | 146 Ų | 146 | 158.4 Ų | 158.4 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -158.3 | 22 | 170 | -93.9 | -38.7 | 0 | 0 | 0 | 117.8 | ||
| 42 | F | 35.4 | Very low | 38.3 | Very low | 194 Ų | 194 | 163.2 Ų | 163.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -140.7 | 51 | 170 | -67.4 | -74.5 | 0 | 0 | 0 | 113.5 | ||||
| 43 | K | 40.8 | Very low | 38.2 | Very low | 213 Ų | 213 | 165.3 Ų | 165.3 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -113.6 | 65.3 | 167.6 | -110.4 | -170.1 | -177.1 | -179.1 | 0 | 110.4 | ||||
| 44 | E | 41.4 | Very low | 38.2 | Very low | 180 Ų | 180 | 160.8 Ų | 160.8 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -152 | 137 | 157.1 | -146.7 | 150.8 | -168.1 | 0 | 0 | 107.7 | ||
| 45 | E | 39.1 | Very low | 38 | Very low | 168 Ų | 168 | 163.4 Ų | 163.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 82.7 | 71.2 | 170.4 | -51.5 | -174.5 | 165.7 | 0 | 0 | 118.9 | ||||
| 46 | F | 36 | Very low | 37.8 | Very low | 221 Ų | 221 | 164.7 Ų | 164.7 | 97% | 0.969 | 83% | 0.827 | S | S | * | * | trans | -138.5 | 88.3 | 133.6 | -75.4 | -73 | 0 | 0 | 0 | 109.6 | ||||
| 47 | K | 47.2 | Very low | 37.7 | Very low | 192 Ų | 192 | 167 Ų | 167 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -91.8 | 137.8 | 160.8 | -100.2 | 175.7 | 176.7 | 172 | 0 | 107.8 | L49 | K47-L49 PolarHBondContact O-N 2.82Š| ||
| 48 | P | 37.5 | Very low | 37.4 | Very low | 118 Ų | 118 | 171.9 Ų | 171.9 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | trans | -67.1 | 122.3 | 177 | 26.2 | -31.3 | 0 | 0 | 0 | 110.5 | S50 | P48-S50 VanDerWaalsContact C-N 3.29Å; P48-S50 PolarHBondContact O-N 3.38Å | ||
| 49 | L | 36.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 169.4 Ų | 169.4 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | trans | -76.5 | 71.8 | 179.7 | -75.8 | 163.4 | 0 | 0 | 0 | 111.6 | K47 | K47-L49 PolarHBondContact O-N 2.82Š| ||
| 50 | S | 39.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 168.9 Ų | 168.9 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -109.5 | 52.5 | 158.4 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | P48 | P48-S50 VanDerWaalsContact C-N 3.29Å; P48-S50 PolarHBondContact O-N 3.38Å | ||
| 51 | K | 46.9 | Very low | 36.9 | Very low | 201 Ų | 201 | 165 Ų | 165 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -169.5 | 55.5 | 175.9 | -126.4 | 174.6 | -174.1 | -179.3 | 0 | 114.1 | ||||
| 52 | E | 35.2 | Very low | 36.2 | Very low | 161 Ų | 161 | 165.7 Ų | 165.7 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -154.7 | 57.4 | 171.8 | -145.5 | 171.4 | -164.6 | 0 | 0 | 114 | ||||
| 53 | L | 37 | Very low | 35.9 | Very low | 189 Ų | 189 | 161.6 Ų | 161.6 | 99% | 0.99 | 82% | 0.82 | S | S | * | * | trans | -134.6 | 39.3 | 158.9 | -113 | 142.1 | 0 | 0 | 0 | 110.4 | ||||
| 54 | G | 35.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | -111.9 | 114 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 55 | E | 33.5 | Very low | 34.9 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 79.4 | 96.9 | 154.5 | -63.8 | -178.3 | 139.6 | 0 | 0 | 120.2 | ||||
| 56 | Y | 28.4 | Very low | 34.6 | Very low | 230 Ų | 230 | 153.7 Ų | 153.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | -138.5 | 70.5 | 117.8 | -100.7 | -83.9 | 0 | 0 | 0 | 110.1 | |||||
| 57 | R | 32.8 | Very low | 34.6 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -97.7 | 108.2 | 149.1 | 178.2 | -175.3 | -74.8 | -162.7 | -1.3 | 106.2 | ||||
| 58 | K | 31.7 | Very low | 34.2 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -96.6 | 101.1 | 171.4 | -169.6 | 175.7 | -179.5 | 177.6 | 0 | 108.9 | ||||
| 59 | A | 29.2 | Very low | 34.6 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 176.8 | 107.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 60 | V | 30.3 | Very low | 34.7 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 155.3 | 161.4 | 163.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | P | 39.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | cis | -139.5 | 147.8 | 37.1 | 20 | 7 | 0 | 0 | 0 | 120.3 | ||||
| 62 | L | 28.6 | Very low | 34.1 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | 47.4 | 121.1 | 125.5 | -55 | 165.5 | 0 | 0 | 0 | 120.9 | |||||
| 63 | S | 28.2 | Very low | 34.2 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | -171.5 | 126 | 104.7 | 66.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 64 | S | 28.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 12.7 | 145.4 | 144.2 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 65 | H | 31.9 | Very low | 34 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | cis | 176 | 164.6 | 11.1 | 172.1 | -87.7 | 0 | 0 | 0 | 105 | ||||
| 66 | D | 34.6 | Very low | 34.2 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 65% | 0.647 | 80% | 0.802 | S | S | * | * | trans | 89.2 | 121.6 | 171.5 | -65.3 | -42.8 | 0 | 0 | 0 | 122.2 | ||||
| 67 | D | 35.8 | Very low | 34.4 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 69.7 | 109.9 | 146.4 | -62.7 | -24.4 | 0 | 0 | 0 | 120.6 | ||||
| 68 | L | 38.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | 176.9 | 92 | 100.8 | -85.8 | 165.4 | 0 | 0 | 0 | 110.2 | D70 | L68-D70 PolarHBondContact O-N 2.78Š| |||
| 69 | D | 44.1 | Very low | 34.4 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -79.9 | 89.1 | 151.8 | -94.3 | -36.2 | 0 | 0 | 0 | 107.3 | ||||
| 70 | D | 38.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -168.9 | 167.1 | 149.1 | -136.3 | -25.1 | 0 | 0 | 0 | 109.8 | L68 | L68-D70 PolarHBondContact O-N 2.78Š| ||
| 71 | I | 37 | Very low | 34.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | trans | 93.1 | 51.6 | -179.2 | -39.2 | 157.7 | 0 | 0 | 0 | 113.3 | ||||
| 72 | L | 37.4 | Very low | 34.7 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -130.6 | 89.7 | 131.4 | -82.1 | 179 | 0 | 0 | 0 | 108.4 | ||
| 73 | K | 36.7 | Very low | 35.3 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | 149.7 | 111.8 | 148.6 | -84.6 | 163.1 | -175.3 | -175 | 0 | 110 | ||||
| 74 | S | 34.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | -176 | 129.6 | 128.5 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 75 | E | 33.1 | Very low | 36 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -61 | 143.5 | 170.6 | -165.3 | 169.5 | -165.4 | 0 | 0 | 111.9 | ||||
| 76 | E | 39.6 | Very low | 36.2 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 22.7 | 111.3 | 145.3 | -160.2 | 172.9 | -149.1 | 0 | 0 | 118.9 | ||||
| 77 | H | 30.6 | Very low | 36.4 | Very low | 191 Ų | 191 | 152 Ų | 152 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | trans | -161.2 | 133.4 | 132 | -82.9 | -39.1 | 0 | 0 | 0 | 109.3 | ||||
| 78 | G | 31.8 | Very low | 36.5 | Very low | 69 Ų | 69 | 154.6 Ų | 154.6 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 79 | L | 34.4 | Very low | 36.5 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -178.4 | 133.2 | 134.5 | -95.2 | 164 | 0 | 0 | 0 | 109.7 | ||||
| 80 | A | 29.9 | Very low | 36.3 | Very low | 78 Ų | 78 | 154.8 Ų | 154.8 | 65% | 0.645 | 81% | 0.813 | S | S | * | * | trans | 47.4 | 104.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | S82 | A80-S82 PolarHBondContact O-N 3.26Š| ||
| 81 | I | 35.2 | Very low | 36.6 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -65.3 | 112.3 | 155.3 | -57 | 168.7 | 0 | 0 | 0 | 106.6 | ||||
| 82 | S | 40 | Very low | 36.6 | Very low | 113 Ų | 113 | 155.5 Ų | 155.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -69.5 | 131 | 177.3 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | A80 | A80-S82 PolarHBondContact O-N 3.26Š| ||
| 83 | E | 40.2 | Very low | 37 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -71.9 | 115.3 | 166.2 | -178.4 | 176.1 | -158.3 | 0 | 0 | 109.8 | ||||
| 84 | E | 31.1 | Very low | 37.2 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -151.3 | 89.8 | 155.6 | -153.1 | 164.7 | -168.3 | 0 | 0 | 113.5 | ||||
| 85 | I | 40.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | 23 | 118.9 | 135.4 | 37.3 | 170.1 | 0 | 0 | 0 | 122.5 | ||||
| 86 | F | 36.4 | Very low | 38.5 | Very low | 201 Ų | 201 | 155.7 Ų | 155.7 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 55 | 120.7 | 130.7 | -75.7 | -97.2 | 0 | 0 | 0 | 123.3 | ||||
| 87 | S | 39.9 | Very low | 38.8 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | -172.8 | 134.7 | 118.3 | -150.9 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 88 | K | 36.8 | Very low | 39.8 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | cis | -170.5 | 145.5 | 48.3 | -174.5 | 167.5 | 179.7 | 176.2 | 0 | 108.9 | ||||
| 89 | D | 39.6 | Very low | 40.6 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -41.6 | 129.9 | 173 | -74.1 | -49.7 | 0 | 0 | 0 | 114.3 | ||||
| 90 | E | 39.3 | Very low | 41.3 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | -152.7 | 113.3 | 129.9 | -149.3 | 152.1 | -166.5 | 0 | 0 | 110.2 | F92 | E90-F92 PolarHBondContact O-N 3.39Å; E90-F92 VanDerWaalsContact O-N 3.14Å | |||
| 91 | T | 45.7 | Very low | 42.3 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -70.9 | 103.5 | 179.5 | -6.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 92 | F | 37 | Very low | 43.3 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -121.6 | 98.5 | 159.1 | -141.6 | -102 | 0 | 0 | 0 | 108.6 | E90 V94 | E90-F92 PolarHBondContact O-N 3.39Å; E90-F92 VanDerWaalsContact O-N 3.14Å; F92-V94 HydrophobicContact CD1-CG2 3.53Å; F92-V94 HydrophobicContact CE1-CG2 3.79Å; F92-V94 PolarHBondContact O-N 3.47Å | ||
| 93 | I | 46 | Very low | 44 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -68.5 | 80.2 | 169.2 | -58.2 | 178.2 | 0 | 0 | 0 | 107 | ||||
| 94 | V | 39.2 | Very low | 44.7 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 58% | 0.582 | 72% | 0.724 | S | S | * | * | trans | -87.5 | 106.9 | 153.9 | 164.3 | 0 | 0 | 0 | 0 | 105.4 | F92 K96 | F92-V94 HydrophobicContact CD1-CG2 3.53Å; F92-V94 HydrophobicContact CE1-CG2 3.79Å; F92-V94 PolarHBondContact O-N 3.47Å; V94-K96 PolarHBondContact O-N 3.44Å | ||
| 95 | R | 50.4 | Low | 46 | Very low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | trans | -54.5 | 84.3 | 165.1 | -178.5 | -176.2 | -68 | 171 | -1.9 | 108.3 | S97 | R95-S97 PolarHBondContact O-N 3.36Š| ||
| 96 | K | 45.5 | Very low | 46.9 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | trans | -68.7 | 116.9 | 166.7 | -100.4 | 178.9 | 174.5 | 178.7 | 0 | 107.3 | V94 M98 | V94-K96 PolarHBondContact O-N 3.44Å; K96-M98 PolarHBondContact O-N 3.04Å | ||
| 97 | S | 45.5 | Very low | 48.1 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 52% | 0.524 | 68% | 0.68 | S | S | . | * | trans | -59 | 123.8 | 172.2 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | R95 H99 D100 | R95-S97 PolarHBondContact O-N 3.36Å; S97-H99 PolarHBondContact O-N 2.95Å; S97-D100 PolarHBondContact O-N 3.26Å | ||
| 98 | M | 51.1 | Low | 49.5 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 83% | 0.828 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 14.6 | 171.3 | -64.9 | -161.2 | 157.3 | 0 | 0 | 114.2 | K96 | K96-M98 PolarHBondContact O-N 3.04Š|
| 99 | H | 49.3 | Very low | 51.2 | Low | 146 Ų | 146 | 126 Ų | 126 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -14.5 | 175.8 | -67.6 | -7.4 | 0 | 0 | 0 | 112.2 | S97 L103 | S97-H99 PolarHBondContact O-N 2.95Å; H99-L103 VanDerWaalsContact O-CD1 3.26Å; H99-L103 WeakPolarHBondContact O-CD1 3.5Å; H99-L103 WeakPolarHBondContact O-CG 3.25Å |
| 100 | D | 47.9 | Very low | 53 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -88.1 | -36.2 | -174.3 | -146.9 | 20 | 0 | 0 | 0 | 112.5 | S97 L103 V104 | S97-D100 PolarHBondContact O-N 3.26Å; D100-L103 PolarHBondContact O-N 3.39Å; D100-V104 WeakPolarHBondContact O-CB 3.35Å; D100-V104 VanDerWaalsContact O-CG2 3.23Å; D100-V104 WeakPolarHBondContact O-CG2 3.43Å; D100-V104 PolarHBondContact O-N 3.15Å |
| 101 | E | 52.2 | Low | 54.9 | Low | 161 Ų | 161 | 120.9 Ų | 120.9 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71 | -35.4 | 180 | -125.1 | 164.8 | -161.6 | 0 | 0 | 113.1 | S105 | E101-S105 WeakPolarHBondContact O-CB 3.17Å; E101-S105 PolarHBondContact O-N 2.78Å |
| 102 | V | 55.3 | Low | 56.7 | Low | 105 Ų | 105 | 121.7 Ų | 121.7 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.2 | -35.6 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | S106 | V102-S106 WeakPolarHBondContact O-CB 3.5Å; V102-S106 PolarHBondContact O-N 3.49Å |
| 103 | L | 55.9 | Low | 59 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69 | -44.4 | 175.2 | -81.9 | 166.9 | 0 | 0 | 0 | 111.4 | H99 D100 S106 M107 | H99-L103 VanDerWaalsContact O-CD1 3.26Å; H99-L103 WeakPolarHBondContact O-CD1 3.5Å; H99-L103 WeakPolarHBondContact O-CG 3.25Å; D100-L103 PolarHBondContact O-N 3.39Å; L103-S106 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-OG 3.41Å; L103-M107 WeakPolarHBondContact O-CG 3.49Å; L103-M107 PolarHBondContact O-N 3.43Å |
| 104 | V | 53.9 | Low | 60.9 | Low | 73 Ų | 73 | 115.2 Ų | 115.2 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.9 | -43.9 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | D100 S106 M107 D108 | D100-V104 WeakPolarHBondContact O-CB 3.35Å; D100-V104 VanDerWaalsContact O-CG2 3.23Å; D100-V104 WeakPolarHBondContact O-CG2 3.43Å; D100-V104 PolarHBondContact O-N 3.15Å; V104-S106 PolarHBondContact O-N 3.11Å; V104-M107 PolarHBondContact O-N 2.85Å; V104-D108 PolarHBondContact O-N 3.27Å |
| 105 | S | 59.6 | Low | 63.1 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 48% | 0.483 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -35.8 | 174 | 178 | 0 | 0 | 0 | 0 | 113.7 | E101 T109 | E101-S105 WeakPolarHBondContact O-CB 3.17Å; E101-S105 PolarHBondContact O-N 2.78Å; S105-T109 WeakPolarHBondContact O-CB 3.28Å; S105-T109 WeakPolarHBondContact O-CG2 3.36Å; S105-T109 PolarHBondContact O-N 3.02Å; S105-T109 PolarHBondContact O-OG1 2.93Å |
| 106 | S | 58.5 | Low | 65 | Low | 56 Ų | 56 | 108 Ų | 108 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.5 | -33.3 | 175.3 | 79.1 | 0 | 0 | 0 | 0 | 113 | V102 L103 V104 T109 S110 | V102-S106 WeakPolarHBondContact O-CB 3.5Å; V102-S106 PolarHBondContact O-N 3.49Å; L103-S106 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-OG 3.41Å; V104-S106 PolarHBondContact O-N 3.11Å; S106-T109 VanDerWaalsContact CA-OG1 3.27Å; S106-T109 WeakPolarHBondContact CA-OG1 3.46Å; S106-T109 PolarHBondContact O-OG1 3.43Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.12Å |
| 107 | M | 61.4 | Low | 67.1 | Low | 109 Ų | 109 | 105.6 Ų | 105.6 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.6 | -38 | 175.5 | -71.1 | -177.1 | 67.7 | 0 | 0 | 111.5 | L103 V104 S110 R111 | L103-M107 WeakPolarHBondContact O-CG 3.49Å; L103-M107 PolarHBondContact O-N 3.43Å; V104-M107 PolarHBondContact O-N 2.85Å; M107-S110 PolarHBondContact O-N 2.85Å; M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 VanDerWaalsContact O-CG 3.27Å; M107-R111 WeakPolarHBondContact O-CG 3.5Å; M107-R111 PolarHBondContact O-N 3.09Å |
| 108 | D | 69.3 | Low | 69.4 | Low | 90 Ų | 90 | 107.4 Ų | 107.4 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.1 | -38.6 | 177.1 | -69.1 | -27.8 | 0 | 0 | 0 | 111.9 | V104 R111 Q112 | V104-D108 PolarHBondContact O-N 3.27Å; D108-R111 PolarHBondContact O-N 2.83Å; D108-Q112 VanDerWaalsContact O-CB 3.31Å; D108-Q112 WeakPolarHBondContact O-CB 3.31Å; D108-Q112 PolarHBondContact O-N 2.82Å |
| 109 | T | 72.4 | Confident | 71.5 | Confident | 78 Ų | 78 | 103 Ų | 103 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 172.5 | 47 | 0 | 0 | 0 | 0 | 112.5 | S105 S106 L113 | S105-T109 WeakPolarHBondContact O-CB 3.28Å; S105-T109 WeakPolarHBondContact O-CG2 3.36Å; S105-T109 PolarHBondContact O-N 3.02Å; S105-T109 PolarHBondContact O-OG1 2.93Å; S106-T109 VanDerWaalsContact CA-OG1 3.27Å; S106-T109 WeakPolarHBondContact CA-OG1 3.46Å; S106-T109 PolarHBondContact O-OG1 3.43Å; T109-L113 WeakPolarHBondContact O-CB 3.21Å; T109-L113 PolarHBondContact O-N 3.41Å |
| 110 | S | 77.3 | Confident | 73.6 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 173 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | S106 M107 L113 I114 | S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.12Å; M107-S110 PolarHBondContact O-N 2.85Å; S110-L113 PolarHBondContact O-N 3.21Å; S110-I114 WeakPolarHBondContact O-CG1 3.44Å; S110-I114 PolarHBondContact O-N 3.44Å |
| 111 | R | 80.4 | Confident | 76 | Confident | 171 Ų | 171 | 99.4 Ų | 99.4 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 173.2 | -74.9 | 172.1 | 177.3 | -121.7 | 0.6 | 112.2 | M107 D108 L113 I114 L115 | M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 VanDerWaalsContact O-CG 3.27Å; M107-R111 WeakPolarHBondContact O-CG 3.5Å; M107-R111 PolarHBondContact O-N 3.09Å; D108-R111 PolarHBondContact O-N 2.83Å; R111-L113 VanDerWaalsContact C-N 3.33Å; R111-L113 PolarHBondContact O-N 3.21Å; R111-I114 PolarHBondContact O-N 2.8Å; R111-L115 PolarHBondContact O-N 3.1Å |
| 112 | Q | 83.1 | Confident | 78.1 | Confident | 140 Ų | 140 | 98.3 Ų | 98.3 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 175 | -167.1 | 91.8 | 37.2 | 0 | 0 | 111.6 | D108 N116 | D108-Q112 VanDerWaalsContact O-CB 3.31Å; D108-Q112 WeakPolarHBondContact O-CB 3.31Å; D108-Q112 PolarHBondContact O-N 2.82Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.27Å |
| 113 | L | 84.9 | Confident | 80.1 | Confident | 118 Ų | 118 | 99.2 Ų | 99.2 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 175.9 | -95.2 | 165.3 | 0 | 0 | 0 | 112.2 | T109 S110 R111 L115 N116 E117 | T109-L113 WeakPolarHBondContact O-CB 3.21Å; T109-L113 PolarHBondContact O-N 3.41Å; S110-L113 PolarHBondContact O-N 3.21Å; R111-L113 VanDerWaalsContact C-N 3.33Å; R111-L113 PolarHBondContact O-N 3.21Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3Å; L113-N116 PolarHBondContact O-N 3.5Å; L113-N116 VanDerWaalsContact O-N 3.17Å; L113-E117 PolarHBondContact O-N 2.81Å |
| 114 | I | 85.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 178 | -66.1 | 163 | 0 | 0 | 0 | 110.9 | S110 R111 N116 E117 Q118 | S110-I114 WeakPolarHBondContact O-CG1 3.44Å; S110-I114 PolarHBondContact O-N 3.44Å; R111-I114 PolarHBondContact O-N 2.8Å; I114-N116 VanDerWaalsContact C-N 3.31Å; I114-N116 PolarHBondContact O-N 3.31Å; I114-E117 PolarHBondContact O-N 3.25Å; I114-Q118 WeakPolarHBondContact O-CG 3.44Å; I114-Q118 PolarHBondContact O-N 2.84Å |
| 115 | L | 86.8 | Confident | 84.1 | Confident | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 176.2 | -176.7 | 65.3 | 0 | 0 | 0 | 112 | R111 L113 L119 | R111-L115 PolarHBondContact O-N 3.1Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3Å; L115-L119 PolarHBondContact O-N 3.36Å |
| 116 | N | 89.6 | Confident | 86 | Confident | 88 Ų | 88 | 103 Ų | 103 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 177.6 | -166.1 | 24 | 0 | 0 | 0 | 112 | Q112 L113 I114 L119 E120 | Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.27Å; L113-N116 PolarHBondContact O-N 3.5Å; L113-N116 VanDerWaalsContact O-N 3.17Å; I114-N116 VanDerWaalsContact C-N 3.31Å; I114-N116 PolarHBondContact O-N 3.31Å; N116-L119 PolarHBondContact O-N 3.32Å; N116-E120 PolarHBondContact O-N 3.37Å |
| 117 | E | 90.4 | Very high | 87.9 | Confident | 127 Ų | 127 | 104.1 Ų | 104.1 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 173.1 | -171.7 | 171.9 | -157.9 | 0 | 0 | 111 | L113 I114 L119 E120 D121 | L113-E117 PolarHBondContact O-N 2.81Å; I114-E117 PolarHBondContact O-N 3.25Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.92Å; E117-E120 WeakPolarHBondContact O-CB 3.39Å; E117-E120 PolarHBondContact O-N 3.36Å; E117-D121 PolarHBondContact O-N 2.86Å |
| 118 | Q | 92.9 | Very high | 89.6 | Confident | 114 Ų | 114 | 103.5 Ų | 103.5 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 174.6 | -73 | -178 | -25.3 | 0 | 0 | 113.3 | I114 E120 D121 M122 | I114-Q118 WeakPolarHBondContact O-CG 3.44Å; I114-Q118 PolarHBondContact O-N 2.84Å; Q118-E120 VanDerWaalsContact C-N 3.32Å; Q118-D121 PolarHBondContact O-N 3.11Å; Q118-M122 WeakPolarHBondContact O-CG 3.28Å; Q118-M122 PolarHBondContact O-N 3.07Å |
| 119 | L | 94.9 | Very high | 91 | Very high | 75 Ų | 75 | 103.6 Ų | 103.6 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 174.5 | -91.1 | 166.3 | 0 | 0 | 0 | 112.1 | L115 N116 E117 M122 R123 | L115-L119 PolarHBondContact O-N 3.36Å; N116-L119 PolarHBondContact O-N 3.32Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.92Å; L119-M122 PolarHBondContact O-N 2.87Å; L119-R123 WeakPolarHBondContact O-CG 3.43Å; L119-R123 PolarHBondContact O-N 2.87Å |
| 120 | E | 94.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 107.3 Ų | 107.3 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | 177.3 | -162.7 | 58.9 | -154.4 | 0 | 0 | 111.5 | N116 E117 Q118 M122 R123 Q124 | N116-E120 PolarHBondContact O-N 3.37Å; E117-E120 WeakPolarHBondContact O-CB 3.39Å; E117-E120 PolarHBondContact O-N 3.36Å; Q118-E120 VanDerWaalsContact C-N 3.32Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.01Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 2.83Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E120-R123 WeakPolarHBondContact OE2-CD 3.47Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NH1 3.7Å; E120-R123 PolarHBondContact OE2-NH1 3.17Å; E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 3.26Å |
| 121 | D | 96.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 109.9 Ų | 109.9 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.9 | -70.6 | -17.4 | 0 | 0 | 0 | 111.2 | E117 Q118 R123 Q124 E125 | E117-D121 PolarHBondContact O-N 2.86Å; Q118-D121 PolarHBondContact O-N 3.11Å; D121-R123 VanDerWaalsContact C-N 3.31Å; D121-R123 PolarHBondContact O-N 3.17Å; D121-Q124 PolarHBondContact O-N 2.94Å; D121-E125 VanDerWaalsContact O-CB 3.3Å; D121-E125 WeakPolarHBondContact O-CB 3.43Å; D121-E125 PolarHBondContact O-N 3.45Å |
| 122 | M | 96.9 | Very high | 94 | Very high | 137 Ų | 137 | 105.7 Ų | 105.7 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | 174.9 | -76.4 | -174.5 | 58 | 0 | 0 | 112.9 | Q118 L119 E120 L126 | Q118-M122 WeakPolarHBondContact O-CG 3.28Å; Q118-M122 PolarHBondContact O-N 3.07Å; L119-M122 PolarHBondContact O-N 2.87Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.01Å; M122-L126 PolarHBondContact O-N 3.07Å |
| 123 | R | 97.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 105 Ų | 105 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 175.2 | -73.8 | 174.4 | -173.7 | 127.6 | 5.8 | 111.5 | L119 E120 D121 E125 L126 V127 | L119-R123 WeakPolarHBondContact O-CG 3.43Å; L119-R123 PolarHBondContact O-N 2.87Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 2.83Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E120-R123 WeakPolarHBondContact OE2-CD 3.47Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NH1 3.7Å; E120-R123 PolarHBondContact OE2-NH1 3.17Å; D121-R123 VanDerWaalsContact C-N 3.31Å; D121-R123 PolarHBondContact O-N 3.17Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-L126 PolarHBondContact O-N 2.81Å; R123-V127 WeakPolarHBondContact O-CG2 3.28Å; R123-V127 PolarHBondContact O-N 3.34Å; R123-V127 VanDerWaalsContact O-N 3.08Å |
| 124 | Q | 97.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.8 | -69.6 | 176.7 | 18.3 | 0 | 0 | 111.1 | E120 D121 L126 V127 R128 | E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 3.26Å; D121-Q124 PolarHBondContact O-N 2.94Å; Q124-L126 PolarHBondContact O-N 2.95Å; Q124-V127 PolarHBondContact O-N 3.48Å; Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 2.88Å |
| 125 | E | 96.7 | Very high | 96 | Very high | 78 Ų | 78 | 107.1 Ų | 107.1 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176 | 179.7 | 54.9 | -153.7 | 0 | 0 | 111.9 | D121 R123 V127 R128 Q129 | D121-E125 VanDerWaalsContact O-CB 3.3Å; D121-E125 WeakPolarHBondContact O-CB 3.43Å; D121-E125 PolarHBondContact O-N 3.45Å; R123-E125 VanDerWaalsContact C-N 3.31Å; E125-V127 VanDerWaalsContact C-N 3.35Å; E125-V127 PolarHBondContact O-N 3.34Å; E125-R128 VanDerWaalsContact CD-NH2 3.29Å; E125-R128 PolarHBondContact O-N 3.2Å; E125-R128 IonicContact OE1-CZ 2.58Å; E125-R128 IonicContact OE1-NE 2.72Å; E125-R128 IonicContact OE1-NH2 3.67Å; E125-R128 PolarHBondContact OE1-NH2 3.5Å; E125-R128 IonicContact OE2-CZ 3.19Å; E125-R128 IonicContact OE2-NE 2.72Å; E125-R128 PolarHBondContact OE2-NE 2.99Å; E125-R128 IonicContact OE2-NH2 3.19Å; E125-R128 PolarHBondContact OE2-NH2 2.82Å; E125-Q129 VanDerWaalsContact O-CG 3.28Å; E125-Q129 WeakPolarHBondContact O-CG 3.39Å; E125-Q129 PolarHBondContact O-N 3.28Å; E125-Q129 PolarHBondContact OE1-NE2 3.45Å |
| 126 | L | 98.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 105.5 Ų | 105.5 | 69% | 0.686 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 175 | -165.3 | 91.3 | 0 | 0 | 0 | 112 | M122 R123 Q124 Q129 Y130 | M122-L126 PolarHBondContact O-N 3.07Å; R123-L126 PolarHBondContact O-N 2.81Å; Q124-L126 PolarHBondContact O-N 2.95Å; L126-Q129 PolarHBondContact O-N 2.93Å; L126-Y130 PolarHBondContact O-N 2.96Å |
| 127 | V | 98.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 104.6 Ų | 104.6 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | R123 Q124 E125 Q129 Y130 E131 | R123-V127 WeakPolarHBondContact O-CG2 3.28Å; R123-V127 PolarHBondContact O-N 3.34Å; R123-V127 VanDerWaalsContact O-N 3.08Å; Q124-V127 PolarHBondContact O-N 3.48Å; E125-V127 VanDerWaalsContact C-N 3.35Å; E125-V127 PolarHBondContact O-N 3.34Å; V127-Q129 PolarHBondContact O-N 3.03Å; V127-Y130 WeakPolarHBondContact O-CB 3.45Å; V127-Y130 PolarHBondContact O-N 2.92Å; V127-Y130 VanDerWaalsContact O-N 3.15Å; V127-E131 HydrophobicContact CG1-CG 4.49Å; V127-E131 WeakPolarHBondContact O-CG 3.39Å; V127-E131 PolarHBondContact O-N 2.88Å |
| 128 | R | 98.1 | Very high | 97.3 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 36% | 0.362 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 176.3 | -171.4 | -172 | 70.8 | 80 | -1.3 | 111.7 | Q124 E125 Y130 E131 E132 | Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 2.88Å; E125-R128 VanDerWaalsContact CD-NH2 3.29Å; E125-R128 PolarHBondContact O-N 3.2Å; E125-R128 IonicContact OE1-CZ 2.58Å; E125-R128 IonicContact OE1-NE 2.72Å; E125-R128 IonicContact OE1-NH2 3.67Å; E125-R128 PolarHBondContact OE1-NH2 3.5Å; E125-R128 IonicContact OE2-CZ 3.19Å; E125-R128 IonicContact OE2-NE 2.72Å; E125-R128 PolarHBondContact OE2-NE 2.99Å; E125-R128 IonicContact OE2-NH2 3.19Å; E125-R128 PolarHBondContact OE2-NH2 2.82Å; R128-Y130 VanDerWaalsContact C-N 3.31Å; R128-Y130 PolarHBondContact O-N 3.23Å; R128-E131 PolarHBondContact O-N 2.82Å; R128-E132 IonicContact CZ-OE1 3.82Å; R128-E132 IonicContact CZ-OE2 3.53Å; R128-E132 IonicContact NH1-OE1 3.41Å; R128-E132 PolarHBondContact NH1-OE1 3.35Å; R128-E132 IonicContact NH1-OE2 2.63Å; R128-E132 PolarHBondContact NH1-OE2 3.34Å; R128-E132 WeakPolarHBondContact O-CB 3.34Å; R128-E132 WeakPolarHBondContact O-CG 3.27Å; R128-E132 PolarHBondContact O-N 2.9Å |
| 129 | Q | 98.1 | Very high | 97.6 | Very high | 93 Ų | 93 | 102.3 Ų | 102.3 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.7 | -72.3 | -67 | -33.4 | 0 | 0 | 112.2 | E125 L126 V127 E132 H133 | E125-Q129 VanDerWaalsContact O-CG 3.28Å; E125-Q129 WeakPolarHBondContact O-CG 3.39Å; E125-Q129 PolarHBondContact O-N 3.28Å; E125-Q129 PolarHBondContact OE1-NE2 3.45Å; L126-Q129 PolarHBondContact O-N 2.93Å; V127-Q129 PolarHBondContact O-N 3.03Å; Q129-E132 PolarHBondContact O-N 2.76Å; Q129-H133 VanDerWaalsContact O-CB 3.29Å; Q129-H133 WeakPolarHBondContact O-CB 3.48Å; Q129-H133 PolarHBondContact O-N 3.43Å |
| 130 | Y | 98.6 | Very high | 97.7 | Very high | 155 Ų | 155 | 104.7 Ų | 104.7 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 177.7 | -177.8 | -92.9 | 0 | 0 | 0 | 111.9 | L126 V127 R128 H133 Q134 | L126-Y130 PolarHBondContact O-N 2.96Å; V127-Y130 WeakPolarHBondContact O-CB 3.45Å; V127-Y130 PolarHBondContact O-N 2.92Å; V127-Y130 VanDerWaalsContact O-N 3.15Å; R128-Y130 VanDerWaalsContact C-N 3.31Å; R128-Y130 PolarHBondContact O-N 3.23Å; Y130-H133 PolarHBondContact O-N 3.31Å; Y130-Q134 WeakPolarHBondContact O-CB 3.28Å; Y130-Q134 PolarHBondContact O-N 3.24Å |
| 131 | E | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.3 | -71.3 | 176.7 | 174 | 0 | 0 | 111.7 | V127 R128 Q134 Q135 | V127-E131 HydrophobicContact CG1-CG 4.49Å; V127-E131 WeakPolarHBondContact O-CG 3.39Å; V127-E131 PolarHBondContact O-N 2.88Å; R128-E131 PolarHBondContact O-N 2.82Å; E131-Q134 WeakPolarHBondContact O-CB 3.48Å; E131-Q134 PolarHBondContact O-N 3.4Å; E131-Q135 WeakPolarHBondContact O-CB 3.32Å; E131-Q135 PolarHBondContact O-N 2.86Å |
| 132 | E | 97.6 | Very high | 98 | Very high | 83 Ų | 83 | 107.4 Ų | 107.4 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.2 | -75.4 | 179 | 179.2 | 0 | 0 | 112.2 | R128 Q129 Q134 Q135 A136 | R128-E132 IonicContact CZ-OE1 3.82Å; R128-E132 IonicContact CZ-OE2 3.53Å; R128-E132 IonicContact NH1-OE1 3.41Å; R128-E132 PolarHBondContact NH1-OE1 3.35Å; R128-E132 IonicContact NH1-OE2 2.63Å; R128-E132 PolarHBondContact NH1-OE2 3.34Å; R128-E132 WeakPolarHBondContact O-CB 3.34Å; R128-E132 WeakPolarHBondContact O-CG 3.27Å; R128-E132 PolarHBondContact O-N 2.9Å; Q129-E132 PolarHBondContact O-N 2.76Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.49Å; E132-Q135 PolarHBondContact O-N 3Å; E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 2.89Å |
| 133 | H | 98.2 | Very high | 98.1 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 174.1 | 179.3 | 67.1 | 0 | 0 | 0 | 111.5 | Q129 Y130 A136 T137 | Q129-H133 VanDerWaalsContact O-CB 3.29Å; Q129-H133 WeakPolarHBondContact O-CB 3.48Å; Q129-H133 PolarHBondContact O-N 3.43Å; Y130-H133 PolarHBondContact O-N 3.31Å; H133-A136 PolarHBondContact O-N 2.82Å; H133-T137 WeakPolarHBondContact O-CB 3.31Å; H133-T137 PolarHBondContact O-N 3.45Å; H133-T137 PolarHBondContact O-OG1 3.4Å |
| 134 | Q | 98.6 | Very high | 98.1 | Very high | 115 Ų | 115 | 102.5 Ų | 102.5 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | -174.9 | 174.5 | 9.4 | 0 | 0 | 111.2 | Y130 E131 E132 T137 E138 | Y130-Q134 WeakPolarHBondContact O-CB 3.28Å; Y130-Q134 PolarHBondContact O-N 3.24Å; E131-Q134 WeakPolarHBondContact O-CB 3.48Å; E131-Q134 PolarHBondContact O-N 3.4Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.49Å; Q134-T137 PolarHBondContact O-N 3.26Å; Q134-E138 PolarHBondContact O-N 2.92Å |
| 135 | Q | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 101.4 Ų | 101.4 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 177.1 | -174 | 180 | 4.4 | 0 | 0 | 111.8 | E131 E132 T137 E138 M139 | E131-Q135 WeakPolarHBondContact O-CB 3.32Å; E131-Q135 PolarHBondContact O-N 2.86Å; E132-Q135 PolarHBondContact O-N 3Å; Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-T137 PolarHBondContact O-N 3.23Å; Q135-E138 PolarHBondContact O-N 2.97Å; Q135-M139 WeakPolarHBondContact O-CB 3.46Å; Q135-M139 WeakPolarHBondContact O-CG 3.38Å; Q135-M139 PolarHBondContact O-N 3.18Å |
| 136 | A | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 102.7 Ų | 102.7 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 H133 M139 L140 | E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 2.89Å; H133-A136 PolarHBondContact O-N 2.82Å; A136-M139 PolarHBondContact O-N 3Å; A136-L140 WeakPolarHBondContact O-CB 3.41Å; A136-L140 PolarHBondContact O-N 2.85Å |
| 137 | T | 97.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 100.6 Ų | 100.6 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | H133 Q134 Q135 L140 R141 | H133-T137 WeakPolarHBondContact O-CB 3.31Å; H133-T137 PolarHBondContact O-N 3.45Å; H133-T137 PolarHBondContact O-OG1 3.4Å; Q134-T137 PolarHBondContact O-N 3.26Å; Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-T137 PolarHBondContact O-N 3.23Å; T137-L140 PolarHBondContact O-N 2.86Å; T137-R141 WeakPolarHBondContact O-CB 3.43Å; T137-R141 PolarHBondContact O-N 3.3Å |
| 138 | E | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 177.5 | -172.3 | 57.7 | -147.7 | 0 | 0 | 111.8 | Q134 Q135 L140 R141 Q142 | Q134-E138 PolarHBondContact O-N 2.92Å; Q135-E138 PolarHBondContact O-N 2.97Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.99Å; E138-R141 WeakPolarHBondContact O-CB 3.47Å; E138-R141 PolarHBondContact O-N 2.85Å; E138-R141 IonicContact OE1-NE 3.67Å; E138-R141 IonicContact OE2-NE 3.04Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.34Å |
| 139 | M | 97.9 | Very high | 98.2 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.5 | -73.6 | -61.9 | -59.8 | 0 | 0 | 111.8 | Q135 A136 R141 Q142 A143 | Q135-M139 WeakPolarHBondContact O-CB 3.46Å; Q135-M139 WeakPolarHBondContact O-CG 3.38Å; Q135-M139 PolarHBondContact O-N 3.18Å; A136-M139 PolarHBondContact O-N 3Å; M139-R141 VanDerWaalsContact C-N 3.35Å; M139-Q142 PolarHBondContact O-N 3.04Å; M139-A143 WeakPolarHBondContact O-CB 3.38Å; M139-A143 PolarHBondContact O-N 3.41Å |
| 140 | L | 98.7 | Very high | 98.2 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 174.9 | -179.1 | 63.2 | 0 | 0 | 0 | 111.3 | A136 T137 E138 Q142 A143 H144 | A136-L140 WeakPolarHBondContact O-CB 3.41Å; A136-L140 PolarHBondContact O-N 2.85Å; T137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.99Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 2.88Å; L140-A143 PolarHBondContact O-N 2.82Å; L140-H144 WeakPolarHBondContact O-CB 3.24Å; L140-H144 PolarHBondContact O-N 2.77Å |
| 141 | R | 98.6 | Very high | 98.1 | Very high | 152 Ų | 152 | 99.7 Ų | 99.7 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 176.7 | -165.6 | -172.4 | 115.2 | 78.4 | 3.9 | 111.7 | T137 E138 M139 M145 | T137-R141 WeakPolarHBondContact O-CB 3.43Å; T137-R141 PolarHBondContact O-N 3.3Å; E138-R141 WeakPolarHBondContact O-CB 3.47Å; E138-R141 PolarHBondContact O-N 2.85Å; E138-R141 IonicContact OE1-NE 3.67Å; E138-R141 IonicContact OE2-NE 3.04Å; M139-R141 VanDerWaalsContact C-N 3.35Å; R141-M145 WeakPolarHBondContact O-CB 3.49Å; R141-M145 PolarHBondContact O-N 3.44Å |
| 142 | Q | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 100.1 Ų | 100.1 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 176.6 | -71.7 | 176.5 | 12.1 | 0 | 0 | 112 | E138 M139 L140 H144 M145 Q146 | E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.34Å; M139-Q142 PolarHBondContact O-N 3.04Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 2.88Å; Q142-H144 VanDerWaalsContact C-N 3.31Å; Q142-H144 PolarHBondContact O-N 3.43Å; Q142-M145 HydrophobicContact CG-CE 4.39Å; Q142-M145 PolarHBondContact O-N 3.3Å; Q142-Q146 WeakPolarHBondContact O-CG 3.4Å; Q142-Q146 PolarHBondContact O-N 2.89Å |
| 143 | A | 97.8 | Very high | 98.2 | Very high | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M139 L140 Q146 Q147 | M139-A143 WeakPolarHBondContact O-CB 3.38Å; M139-A143 PolarHBondContact O-N 3.41Å; L140-A143 PolarHBondContact O-N 2.82Å; A143-Q146 PolarHBondContact O-N 3.38Å; A143-Q147 PolarHBondContact O-N 3.04Å |
| 144 | H | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.6 | -176.9 | 58.4 | 0 | 0 | 0 | 112 | L140 Q142 Q146 Q147 M148 | L140-H144 WeakPolarHBondContact O-CB 3.24Å; L140-H144 PolarHBondContact O-N 2.77Å; Q142-H144 VanDerWaalsContact C-N 3.31Å; Q142-H144 PolarHBondContact O-N 3.43Å; H144-Q146 PolarHBondContact O-N 3.03Å; H144-Q147 WeakPolarHBondContact O-CB 3.34Å; H144-Q147 PolarHBondContact O-N 3.16Å; H144-M148 WeakPolarHBondContact O-CG 3.4Å; H144-M148 PolarHBondContact O-N 3.5Å |
| 145 | M | 97.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.1 | 175.9 | 169.9 | 42.4 | 0 | 0 | 112.3 | R141 Q142 Q147 M148 E149 | R141-M145 WeakPolarHBondContact O-CB 3.49Å; R141-M145 PolarHBondContact O-N 3.44Å; Q142-M145 HydrophobicContact CG-CE 4.39Å; Q142-M145 PolarHBondContact O-N 3.3Å; M145-Q147 VanDerWaalsContact C-N 3.29Å; M145-Q147 PolarHBondContact O-N 2.63Å; M145-M148 PolarHBondContact O-N 3.36Å; M145-E149 PolarHBondContact O-N 3.04Å |
| 146 | Q | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 97 Ų | 97 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -34 | 175.7 | -72.5 | 175.1 | -1.6 | 0 | 0 | 112.5 | Q142 A143 H144 E149 R150 | Q142-Q146 WeakPolarHBondContact O-CG 3.4Å; Q142-Q146 PolarHBondContact O-N 2.89Å; A143-Q146 PolarHBondContact O-N 3.38Å; H144-Q146 PolarHBondContact O-N 3.03Å; Q146-E149 PolarHBondContact O-N 3.37Å; Q146-R150 PolarHBondContact O-N 3.04Å |
| 147 | Q | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 173.7 | 178.3 | 179.1 | -5.2 | 0 | 0 | 111.3 | A143 H144 M145 E149 R150 Q151 | A143-Q147 PolarHBondContact O-N 3.04Å; H144-Q147 WeakPolarHBondContact O-CB 3.34Å; H144-Q147 PolarHBondContact O-N 3.16Å; M145-Q147 VanDerWaalsContact C-N 3.29Å; M145-Q147 PolarHBondContact O-N 2.63Å; Q147-E149 VanDerWaalsContact C-N 3.27Å; Q147-E149 PolarHBondContact O-N 3.12Å; Q147-R150 PolarHBondContact O-N 3.38Å; Q147-Q151 WeakPolarHBondContact O-CG 3.22Å; Q147-Q151 PolarHBondContact O-N 2.72Å |
| 148 | M | 98.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 102 Ų | 102 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 176.7 | -64.7 | -56.8 | -62.2 | 0 | 0 | 111.9 | H144 M145 R152 | H144-M148 WeakPolarHBondContact O-CG 3.4Å; H144-M148 PolarHBondContact O-N 3.5Å; M145-M148 PolarHBondContact O-N 3.36Å; M148-R152 WeakPolarHBondContact O-CB 3.36Å; M148-R152 PolarHBondContact O-N 3.45Å |
| 149 | E | 97.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 174 | 173.4 | 147 | -109.8 | 0 | 0 | 112.3 | M145 Q146 Q147 Q151 R152 E153 | M145-E149 PolarHBondContact O-N 3.04Å; Q146-E149 PolarHBondContact O-N 3.37Å; Q147-E149 VanDerWaalsContact C-N 3.27Å; Q147-E149 PolarHBondContact O-N 3.12Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.94Å; E149-R152 WeakPolarHBondContact O-CB 3.42Å; E149-R152 PolarHBondContact O-N 3.27Å; E149-R152 VanDerWaalsContact O-N 3.09Å; E149-R152 IonicContact OE1-CZ 3.4Å; E149-R152 IonicContact OE1-NH1 3.87Å; E149-R152 IonicContact OE1-NH2 3.4Å; E149-R152 PolarHBondContact OE1-NH2 3.18Å; E149-E153 WeakPolarHBondContact O-CG 3.47Å; E149-E153 PolarHBondContact O-N 2.76Å |
| 150 | R | 98.1 | Very high | 98.2 | Very high | 133 Ų | 133 | 102.7 Ų | 102.7 | 50% | 0.502 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 174.6 | -77.2 | -175.9 | -83.5 | 109 | -6.1 | 112.3 | Q146 Q147 R152 E153 D154 | Q146-R150 PolarHBondContact O-N 3.04Å; Q147-R150 PolarHBondContact O-N 3.38Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.86Å; R150-E153 PolarHBondContact O-N 3.47Å; R150-D154 VanDerWaalsContact O-CG 3.25Å; R150-D154 PolarHBondContact O-N 2.97Å |
| 151 | Q | 97.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.4 | -75.3 | -176.8 | -19.6 | 0 | 0 | 112.7 | Q147 E149 Q155 | Q147-Q151 WeakPolarHBondContact O-CG 3.22Å; Q147-Q151 PolarHBondContact O-N 2.72Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.94Å; Q151-Q155 WeakPolarHBondContact O-CB 3.44Å; Q151-Q155 PolarHBondContact O-N 2.92Å |
| 152 | R | 98.4 | Very high | 98.1 | Very high | 125 Ų | 125 | 98.7 Ų | 98.7 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 176.1 | -176.7 | -168.4 | 68.3 | -125.4 | 0.8 | 111.2 | M148 E149 R150 Q155 E156 | M148-R152 WeakPolarHBondContact O-CB 3.36Å; M148-R152 PolarHBondContact O-N 3.45Å; E149-R152 WeakPolarHBondContact O-CB 3.42Å; E149-R152 PolarHBondContact O-N 3.27Å; E149-R152 VanDerWaalsContact O-N 3.09Å; E149-R152 IonicContact OE1-CZ 3.4Å; E149-R152 IonicContact OE1-NH1 3.87Å; E149-R152 IonicContact OE1-NH2 3.4Å; E149-R152 PolarHBondContact OE1-NH2 3.18Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.86Å; R152-Q155 PolarHBondContact O-N 2.81Å; R152-E156 WeakPolarHBondContact O-CB 3.36Å; R152-E156 PolarHBondContact O-N 2.97Å |
| 153 | E | 98.3 | Very high | 98 | Very high | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.383 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.5 | -70.6 | 170.9 | -179 | 0 | 0 | 111.6 | E149 R150 Q155 E156 Q157 | E149-E153 WeakPolarHBondContact O-CG 3.47Å; E149-E153 PolarHBondContact O-N 2.76Å; R150-E153 PolarHBondContact O-N 3.47Å; E153-Q155 VanDerWaalsContact C-N 3.29Å; E153-Q155 PolarHBondContact O-N 3.3Å; E153-E156 PolarHBondContact O-N 3.43Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E153-Q157 WeakPolarHBondContact O-CG 3.4Å; E153-Q157 PolarHBondContact O-N 2.94Å |
| 154 | D | 98.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.2 | -68.6 | -21 | 0 | 0 | 0 | 111 | R150 Q157 L158 | R150-D154 VanDerWaalsContact O-CG 3.25Å; R150-D154 PolarHBondContact O-N 2.97Å; D154-Q157 PolarHBondContact O-N 3.25Å; D154-L158 WeakPolarHBondContact O-CG 3.43Å; D154-L158 PolarHBondContact O-N 3.44Å |
| 155 | Q | 98.2 | Very high | 98 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.3 | -173.9 | 178.1 | 14 | 0 | 0 | 112 | Q151 R152 E153 Q159 | Q151-Q155 WeakPolarHBondContact O-CB 3.44Å; Q151-Q155 PolarHBondContact O-N 2.92Å; R152-Q155 PolarHBondContact O-N 2.81Å; E153-Q155 VanDerWaalsContact C-N 3.29Å; E153-Q155 PolarHBondContact O-N 3.3Å; Q155-Q159 VanDerWaalsContact O-CG 3.28Å; Q155-Q159 WeakPolarHBondContact O-CG 3.46Å; Q155-Q159 PolarHBondContact O-N 3.49Å |
| 156 | E | 98 | Very high | 98 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 177.3 | -174.6 | 167.6 | -158.2 | 0 | 0 | 111.3 | R152 E153 L158 Q159 E160 | R152-E156 WeakPolarHBondContact O-CB 3.36Å; R152-E156 PolarHBondContact O-N 2.97Å; E153-E156 PolarHBondContact O-N 3.43Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E156-L158 PolarHBondContact O-N 2.82Å; E156-Q159 WeakPolarHBondContact O-CB 3.36Å; E156-Q159 PolarHBondContact O-N 3.12Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; E156-E160 WeakPolarHBondContact O-CG 3.22Å; E156-E160 PolarHBondContact O-N 3.35Å |
| 157 | Q | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.7 | -45.4 | 175.7 | -71.6 | 177 | 17 | 0 | 0 | 112.1 | E153 D154 Q159 E160 E161 | E153-Q157 WeakPolarHBondContact O-CG 3.4Å; E153-Q157 PolarHBondContact O-N 2.94Å; D154-Q157 PolarHBondContact O-N 3.25Å; Q157-Q159 VanDerWaalsContact C-N 3.31Å; Q157-Q159 PolarHBondContact O-N 3.15Å; Q157-E160 PolarHBondContact O-N 3.47Å; Q157-E161 WeakPolarHBondContact O-CB 3.08Å; Q157-E161 PolarHBondContact O-N 2.93Å |
| 158 | L | 98.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 175.8 | -72.2 | 173.1 | 0 | 0 | 0 | 111.9 | D154 E156 E161 I162 | D154-L158 WeakPolarHBondContact O-CG 3.43Å; D154-L158 PolarHBondContact O-N 3.44Å; E156-L158 PolarHBondContact O-N 2.82Å; L158-E161 PolarHBondContact O-N 3.23Å; L158-I162 WeakPolarHBondContact O-CB 3.5Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.36Å; L158-I162 PolarHBondContact O-N 3.45Å |
| 159 | Q | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.4 | -75.2 | 178.1 | 6 | 0 | 0 | 112.3 | Q155 E156 Q157 K163 | Q155-Q159 VanDerWaalsContact O-CG 3.28Å; Q155-Q159 WeakPolarHBondContact O-CG 3.46Å; Q155-Q159 PolarHBondContact O-N 3.49Å; E156-Q159 WeakPolarHBondContact O-CB 3.36Å; E156-Q159 PolarHBondContact O-N 3.12Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; Q157-Q159 VanDerWaalsContact C-N 3.31Å; Q157-Q159 PolarHBondContact O-N 3.15Å; Q159-K163 VanDerWaalsContact O-CG 3.26Å; Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 2.89Å |
| 160 | E | 97.8 | Very high | 97.4 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 174.3 | -71.2 | -174.3 | 163.9 | 0 | 0 | 111.8 | E156 Q157 K163 R164 | E156-E160 WeakPolarHBondContact O-CG 3.22Å; E156-E160 PolarHBondContact O-N 3.35Å; Q157-E160 PolarHBondContact O-N 3.47Å; E160-K163 WeakPolarHBondContact O-CB 3.4Å; E160-K163 PolarHBondContact O-N 3.38Å; E160-R164 WeakPolarHBondContact O-CB 3.17Å; E160-R164 PolarHBondContact O-N 2.86Å |
| 161 | E | 97.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 104 Ų | 104 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.1 | -174.7 | 65.8 | 176.2 | 0 | 0 | 111.9 | Q157 L158 K163 R164 L165 | Q157-E161 WeakPolarHBondContact O-CB 3.08Å; Q157-E161 PolarHBondContact O-N 2.93Å; L158-E161 PolarHBondContact O-N 3.23Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 2.89Å; E161-R164 PolarHBondContact O-N 3.2Å; E161-R164 IonicContact OE1-CZ 3.26Å; E161-R164 IonicContact OE1-NE 3.73Å; E161-R164 IonicContact OE1-NH2 2.85Å; E161-R164 PolarHBondContact OE1-NH2 3.46Å; E161-R164 IonicContact OE2-CZ 3.89Å; E161-R164 IonicContact OE2-NE 3.6Å; E161-R164 PolarHBondContact OE2-NE 3.03Å; E161-R164 IonicContact OE2-NH2 3.18Å; E161-R164 PolarHBondContact OE2-NH2 3.47Å; E161-L165 HydrophobicContact CG-CD1 4.16Å; E161-L165 HydrophobicContact CG-CG 4.48Å; E161-L165 WeakPolarHBondContact O-CB 3.33Å; E161-L165 VanDerWaalsContact O-CG 3.28Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.43Å |
| 162 | I | 97.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 59% | 0.59 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 172.8 | -70.9 | 166 | 0 | 0 | 0 | 110.5 | L158 L165 N166 | L158-I162 WeakPolarHBondContact O-CB 3.5Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.36Å; L158-I162 PolarHBondContact O-N 3.45Å; I162-L165 PolarHBondContact O-N 3.07Å; I162-N166 VanDerWaalsContact O-CB 3.24Å; I162-N166 WeakPolarHBondContact O-CB 3.42Å; I162-N166 PolarHBondContact O-N 2.88Å |
| 163 | K | 97.9 | Very high | 96 | Very high | 123 Ų | 123 | 102.7 Ų | 102.7 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 177.1 | -73.7 | 168 | -173.3 | 168.9 | 0 | 110.9 | Q159 E160 E161 L165 N166 E167 | Q159-K163 VanDerWaalsContact O-CG 3.26Å; Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 2.89Å; E160-K163 WeakPolarHBondContact O-CB 3.4Å; E160-K163 PolarHBondContact O-N 3.38Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 2.89Å; K163-L165 PolarHBondContact O-N 3.45Å; K163-N166 PolarHBondContact O-N 3.4Å; K163-E167 WeakPolarHBondContact O-CG 3.33Å; K163-E167 PolarHBondContact O-N 2.87Å |
| 164 | R | 98.1 | Very high | 95.5 | Very high | 112 Ų | 112 | 101.2 Ų | 101.2 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 178.3 | -172.3 | -170.2 | 71.3 | 119.6 | 10.7 | 112.2 | E160 E161 N166 E167 Q168 | E160-R164 WeakPolarHBondContact O-CB 3.17Å; E160-R164 PolarHBondContact O-N 2.86Å; E161-R164 PolarHBondContact O-N 3.2Å; E161-R164 IonicContact OE1-CZ 3.26Å; E161-R164 IonicContact OE1-NE 3.73Å; E161-R164 IonicContact OE1-NH2 2.85Å; E161-R164 PolarHBondContact OE1-NH2 3.46Å; E161-R164 IonicContact OE2-CZ 3.89Å; E161-R164 IonicContact OE2-NE 3.6Å; E161-R164 PolarHBondContact OE2-NE 3.03Å; E161-R164 IonicContact OE2-NH2 3.18Å; E161-R164 PolarHBondContact OE2-NH2 3.47Å; R164-N166 VanDerWaalsContact C-N 3.32Å; R164-N166 PolarHBondContact O-N 2.97Å; R164-E167 PolarHBondContact O-N 2.94Å; R164-Q168 WeakPolarHBondContact O-CG 3.38Å; R164-Q168 PolarHBondContact O-N 3.47Å |
| 165 | L | 97.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 101.2 Ų | 101.2 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 177.5 | -72.2 | 174.2 | 0 | 0 | 0 | 111.7 | E161 I162 K163 Q168 L169 | E161-L165 HydrophobicContact CG-CD1 4.16Å; E161-L165 HydrophobicContact CG-CG 4.48Å; E161-L165 WeakPolarHBondContact O-CB 3.33Å; E161-L165 VanDerWaalsContact O-CG 3.28Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.43Å; I162-L165 PolarHBondContact O-N 3.07Å; K163-L165 PolarHBondContact O-N 3.45Å; L165-Q168 PolarHBondContact O-N 2.89Å; L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.49Å |
| 166 | N | 96.9 | Very high | 94.3 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 177.2 | -164.2 | 23.6 | 0 | 0 | 0 | 112 | I162 K163 R164 L169 T170 | I162-N166 VanDerWaalsContact O-CB 3.24Å; I162-N166 WeakPolarHBondContact O-CB 3.42Å; I162-N166 PolarHBondContact O-N 2.88Å; K163-N166 PolarHBondContact O-N 3.4Å; R164-N166 VanDerWaalsContact C-N 3.32Å; R164-N166 PolarHBondContact O-N 2.97Å; N166-L169 PolarHBondContact O-N 2.98Å; N166-T170 WeakPolarHBondContact O-CB 3.4Å; N166-T170 PolarHBondContact O-N 3.32Å; N166-T170 PolarHBondContact O-OG1 3.48Å |
| 167 | E | 96.2 | Very high | 93.7 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 171.1 | -73.4 | 173.1 | -173.6 | 0 | 0 | 111.3 | K163 R164 T170 Q171 | K163-E167 WeakPolarHBondContact O-CG 3.33Å; K163-E167 PolarHBondContact O-N 2.87Å; R164-E167 PolarHBondContact O-N 2.94Å; E167-T170 PolarHBondContact O-N 3.02Å; E167-Q171 WeakPolarHBondContact O-CB 3.29Å; E167-Q171 PolarHBondContact O-N 2.98Å |
| 168 | Q | 95.4 | Very high | 93 | Very high | 70 Ų | 70 | 100 Ų | 100 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | -72.6 | -179.8 | 6.5 | 0 | 0 | 112.9 | R164 L165 Q171 K172 | R164-Q168 WeakPolarHBondContact O-CG 3.38Å; R164-Q168 PolarHBondContact O-N 3.47Å; L165-Q168 PolarHBondContact O-N 2.89Å; Q168-Q171 PolarHBondContact O-N 3.28Å; Q168-K172 WeakPolarHBondContact O-CB 3.19Å; Q168-K172 WeakPolarHBondContact O-CG 3.27Å; Q168-K172 PolarHBondContact O-N 2.71Å |
| 169 | L | 94.9 | Very high | 92.5 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 175.9 | -79.6 | 168.8 | 0 | 0 | 0 | 111.2 | L165 N166 Q171 K172 S173 | L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.49Å; N166-L169 PolarHBondContact O-N 2.98Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 2.87Å; L169-K172 PolarHBondContact O-N 3.45Å; L169-S173 VanDerWaalsContact O-CB 3.28Å; L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 2.75Å; L169-S173 PolarHBondContact O-OG 2.89Å |
| 170 | T | 93.4 | Very high | 92 | Very high | 83 Ų | 83 | 99.3 Ų | 99.3 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | N166 E167 S173 S174 | N166-T170 WeakPolarHBondContact O-CB 3.4Å; N166-T170 PolarHBondContact O-N 3.32Å; N166-T170 PolarHBondContact O-OG1 3.48Å; E167-T170 PolarHBondContact O-N 3.02Å; T170-S173 PolarHBondContact O-N 2.89Å; T170-S173 PolarHBondContact O-OG 3.06Å; T170-S174 WeakPolarHBondContact O-CB 3.35Å; T170-S174 PolarHBondContact O-N 3.43Å |
| 171 | Q | 91.9 | Very high | 91.5 | Very high | 125 Ų | 125 | 98.4 Ų | 98.4 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | 177.3 | -172.9 | -179.8 | 27.3 | 0 | 0 | 112.4 | E167 Q168 L169 S173 S174 I175 | E167-Q171 WeakPolarHBondContact O-CB 3.29Å; E167-Q171 PolarHBondContact O-N 2.98Å; Q168-Q171 PolarHBondContact O-N 3.28Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 2.87Å; Q171-S173 PolarHBondContact O-N 3.25Å; Q171-S174 PolarHBondContact O-N 3.07Å; Q171-I175 HydrophobicContact CG-CD1 3.89Å; Q171-I175 VanDerWaalsContact O-CG1 3.32Å; Q171-I175 WeakPolarHBondContact O-CG1 3.27Å; Q171-I175 PolarHBondContact O-N 3.34Å |
| 172 | K | 90.3 | Very high | 91.1 | Very high | 131 Ų | 131 | 97.7 Ų | 97.7 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 177.2 | -75.5 | 179.7 | 178.7 | 177 | 0 | 111.5 | Q168 L169 S174 I175 D176 | Q168-K172 WeakPolarHBondContact O-CB 3.19Å; Q168-K172 WeakPolarHBondContact O-CG 3.27Å; Q168-K172 PolarHBondContact O-N 2.71Å; L169-K172 PolarHBondContact O-N 3.45Å; K172-S174 VanDerWaalsContact C-N 3.32Å; K172-S174 PolarHBondContact O-N 3.15Å; K172-I175 PolarHBondContact O-N 2.94Å; K172-D176 WeakPolarHBondContact O-CB 3.39Å; K172-D176 VanDerWaalsContact O-CG 3.32Å; K172-D176 PolarHBondContact O-N 3.39Å |
| 173 | S | 83.3 | Confident | 90.7 | Very high | 65 Ų | 65 | 95 Ų | 95 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.4 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | L169 T170 Q171 T177 | L169-S173 VanDerWaalsContact O-CB 3.28Å; L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 2.75Å; L169-S173 PolarHBondContact O-OG 2.89Å; T170-S173 PolarHBondContact O-N 2.89Å; T170-S173 PolarHBondContact O-OG 3.06Å; Q171-S173 PolarHBondContact O-N 3.25Å; S173-T177 WeakPolarHBondContact O-CB 3.32Å; S173-T177 WeakPolarHBondContact O-CG2 3.48Å; S173-T177 PolarHBondContact O-N 3.25Å; S173-T177 PolarHBondContact O-OG1 3.1Å; S173-T177 VanDerWaalsContact O-OG1 3.06Å |
| 174 | S | 88.3 | Confident | 90.5 | Very high | 51 Ų | 51 | 98 Ų | 98 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 174.6 | 156.6 | 0 | 0 | 0 | 0 | 111.4 | T170 Q171 K172 D176 T177 E178 | T170-S174 WeakPolarHBondContact O-CB 3.35Å; T170-S174 PolarHBondContact O-N 3.43Å; Q171-S174 PolarHBondContact O-N 3.07Å; K172-S174 VanDerWaalsContact C-N 3.32Å; K172-S174 PolarHBondContact O-N 3.15Å; S174-D176 PolarHBondContact O-N 3.42Å; S174-T177 PolarHBondContact O-N 2.84Å; S174-T177 PolarHBondContact O-OG1 3.25Å; S174-E178 WeakPolarHBondContact O-CG 3.37Å; S174-E178 PolarHBondContact O-N 2.85Å |
| 175 | I | 85.2 | Confident | 90.2 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | -179.6 | -66.2 | 164.6 | 0 | 0 | 0 | 111.1 | Q171 K172 T177 E178 H179 | Q171-I175 HydrophobicContact CG-CD1 3.89Å; Q171-I175 VanDerWaalsContact O-CG1 3.32Å; Q171-I175 WeakPolarHBondContact O-CG1 3.27Å; Q171-I175 PolarHBondContact O-N 3.34Å; K172-I175 PolarHBondContact O-N 2.94Å; I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.21Å; I175-E178 PolarHBondContact O-N 3.41Å; I175-H179 VanDerWaalsContact O-CB 3.27Å; I175-H179 WeakPolarHBondContact O-CB 3.44Å; I175-H179 PolarHBondContact O-N 2.96Å |
| 176 | D | 84.6 | Confident | 90 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.2 | -73.6 | -19.2 | 0 | 0 | 0 | 111 | K172 S174 H179 V180 | K172-D176 WeakPolarHBondContact O-CB 3.39Å; K172-D176 VanDerWaalsContact O-CG 3.32Å; K172-D176 PolarHBondContact O-N 3.39Å; S174-D176 PolarHBondContact O-N 3.42Å; D176-H179 PolarHBondContact O-N 3.3Å; D176-V180 WeakPolarHBondContact O-CB 3.42Å; D176-V180 WeakPolarHBondContact O-CG2 3.33Å; D176-V180 PolarHBondContact O-N 3.49Å |
| 177 | T | 84.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.5 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | S173 S174 I175 V180 V181 | S173-T177 WeakPolarHBondContact O-CB 3.32Å; S173-T177 WeakPolarHBondContact O-CG2 3.48Å; S173-T177 PolarHBondContact O-N 3.25Å; S173-T177 PolarHBondContact O-OG1 3.1Å; S173-T177 VanDerWaalsContact O-OG1 3.06Å; S174-T177 PolarHBondContact O-N 2.84Å; S174-T177 PolarHBondContact O-OG1 3.25Å; I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.21Å; T177-V180 PolarHBondContact O-N 3.29Å; T177-V181 WeakPolarHBondContact O-CB 3.24Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 3.48Å |
| 178 | E | 84.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 97.2 Ų | 97.2 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 176.8 | -73.2 | -179.5 | -176.7 | 0 | 0 | 111.9 | S174 I175 V181 S182 | S174-E178 WeakPolarHBondContact O-CG 3.37Å; S174-E178 PolarHBondContact O-N 2.85Å; I175-E178 PolarHBondContact O-N 3.41Å; E178-V181 PolarHBondContact O-N 2.77Å; E178-S182 VanDerWaalsContact O-CB 3.32Å; E178-S182 WeakPolarHBondContact O-CB 3.26Å; E178-S182 PolarHBondContact O-N 2.99Å; E178-S182 PolarHBondContact O-OG 3.41Å |
| 179 | H | 87.9 | Confident | 89.6 | Confident | 102 Ų | 102 | 98.9 Ų | 98.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 176.6 | 178.2 | -98.8 | 0 | 0 | 0 | 111.7 | I175 D176 V181 S182 E183 | I175-H179 VanDerWaalsContact O-CB 3.27Å; I175-H179 WeakPolarHBondContact O-CB 3.44Å; I175-H179 PolarHBondContact O-N 2.96Å; D176-H179 PolarHBondContact O-N 3.3Å; H179-V181 VanDerWaalsContact C-N 3.32Å; H179-V181 PolarHBondContact O-N 2.79Å; H179-S182 PolarHBondContact O-N 3.06Å; H179-E183 IonicContact NE2-OE2 3.85Å; H179-E183 WeakPolarHBondContact O-CB 3.28Å; H179-E183 WeakPolarHBondContact O-CG 3.37Å; H179-E183 PolarHBondContact O-N 3.41Å |
| 180 | V | 87.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | D176 T177 R184 | D176-V180 WeakPolarHBondContact O-CB 3.42Å; D176-V180 WeakPolarHBondContact O-CG2 3.33Å; D176-V180 PolarHBondContact O-N 3.49Å; T177-V180 PolarHBondContact O-N 3.29Å; V180-R184 VanDerWaalsContact O-CB 3.31Å; V180-R184 WeakPolarHBondContact O-CB 3.47Å; V180-R184 PolarHBondContact O-N 2.87Å |
| 181 | V | 86.1 | Confident | 89.4 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 111 | T177 E178 H179 E183 R184 E185 | T177-V181 WeakPolarHBondContact O-CB 3.24Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 3.48Å; E178-V181 PolarHBondContact O-N 2.77Å; H179-V181 VanDerWaalsContact C-N 3.32Å; H179-V181 PolarHBondContact O-N 2.79Å; V181-E183 PolarHBondContact O-N 3.4Å; V181-R184 PolarHBondContact O-N 2.87Å; V181-E185 PolarHBondContact O-N 2.98Å |
| 182 | S | 90.2 | Very high | 89.3 | Confident | 65 Ų | 65 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | E178 H179 E185 R186 | E178-S182 VanDerWaalsContact O-CB 3.32Å; E178-S182 WeakPolarHBondContact O-CB 3.26Å; E178-S182 PolarHBondContact O-N 2.99Å; E178-S182 PolarHBondContact O-OG 3.41Å; H179-S182 PolarHBondContact O-N 3.06Å; S182-E185 PolarHBondContact O-N 2.89Å; S182-R186 WeakPolarHBondContact O-CB 3.28Å; S182-R186 PolarHBondContact O-N 3.35Å |
| 183 | E | 89.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 99.5 Ų | 99.5 | 27% | 0.266 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.5 | -82.2 | -69.2 | 21.6 | 0 | 0 | 111.8 | H179 V181 E185 R186 V187 | H179-E183 IonicContact NE2-OE2 3.85Å; H179-E183 WeakPolarHBondContact O-CB 3.28Å; H179-E183 WeakPolarHBondContact O-CG 3.37Å; H179-E183 PolarHBondContact O-N 3.41Å; V181-E183 PolarHBondContact O-N 3.4Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.5Å; E183-R186 WeakPolarHBondContact O-CB 3.42Å; E183-R186 PolarHBondContact O-N 3.03Å; E183-R186 IonicContact OE1-CZ 3.22Å; E183-R186 IonicContact OE1-NE 3.65Å; E183-R186 PolarHBondContact OE1-NE 3.03Å; E183-R186 IonicContact OE1-NH1 2.84Å; E183-R186 PolarHBondContact OE1-NH1 2.82Å; E183-R186 IonicContact OE1-NH2 2.78Å; E183-R186 PolarHBondContact OE1-NH2 3.31Å; E183-R186 IonicContact OE2-CZ 2.59Å; E183-R186 IonicContact OE2-NH1 3.75Å; E183-R186 PolarHBondContact OE2-NH1 3.44Å; E183-R186 IonicContact OE2-NH2 2.77Å; E183-R186 PolarHBondContact OE2-NH2 3.42Å; E183-V187 WeakPolarHBondContact O-CG2 3.18Å; E183-V187 PolarHBondContact O-N 3.48Å |
| 184 | R | 92 | Very high | 89.4 | Confident | 187 Ų | 187 | 99.2 Ų | 99.2 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 176 | -175.9 | 179.9 | 178.4 | -168.6 | -0.6 | 111.9 | V180 V181 L188 | V180-R184 VanDerWaalsContact O-CB 3.31Å; V180-R184 WeakPolarHBondContact O-CB 3.47Å; V180-R184 PolarHBondContact O-N 2.87Å; V181-R184 PolarHBondContact O-N 2.87Å; R184-L188 WeakPolarHBondContact O-CB 3.44Å; R184-L188 PolarHBondContact O-N 2.84Å |
| 185 | E | 92.4 | Very high | 89.1 | Confident | 121 Ų | 121 | 101.5 Ų | 101.5 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 176.1 | -173.1 | 174.6 | -179.9 | 0 | 0 | 111.5 | V181 S182 E183 L188 L189 | V181-E185 PolarHBondContact O-N 2.98Å; S182-E185 PolarHBondContact O-N 2.89Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.5Å; E185-L188 WeakPolarHBondContact O-CB 3.41Å; E185-L188 PolarHBondContact O-N 3.21Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 3.37Å |
| 186 | R | 94.4 | Very high | 89 | Confident | 133 Ų | 133 | 105.1 Ų | 105.1 | 50% | 0.502 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 175.7 | -169.5 | -160 | -50.1 | 161.5 | 9.1 | 112 | S182 E183 L188 L189 E190 | S182-R186 WeakPolarHBondContact O-CB 3.28Å; S182-R186 PolarHBondContact O-N 3.35Å; E183-R186 WeakPolarHBondContact O-CB 3.42Å; E183-R186 PolarHBondContact O-N 3.03Å; E183-R186 IonicContact OE1-CZ 3.22Å; E183-R186 IonicContact OE1-NE 3.65Å; E183-R186 PolarHBondContact OE1-NE 3.03Å; E183-R186 IonicContact OE1-NH1 2.84Å; E183-R186 PolarHBondContact OE1-NH1 2.82Å; E183-R186 IonicContact OE1-NH2 2.78Å; E183-R186 PolarHBondContact OE1-NH2 3.31Å; E183-R186 IonicContact OE2-CZ 2.59Å; E183-R186 IonicContact OE2-NH1 3.75Å; E183-R186 PolarHBondContact OE2-NH1 3.44Å; E183-R186 IonicContact OE2-NH2 2.77Å; E183-R186 PolarHBondContact OE2-NH2 3.42Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.45Å; R186-L189 PolarHBondContact O-N 3.17Å; R186-E190 PolarHBondContact O-N 3.09Å |
| 187 | V | 92.3 | Very high | 88.8 | Confident | 67 Ų | 67 | 106.7 Ų | 106.7 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | E183 L189 E190 E191 | E183-V187 WeakPolarHBondContact O-CG2 3.18Å; E183-V187 PolarHBondContact O-N 3.48Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 2.94Å; V187-E190 PolarHBondContact O-N 2.84Å; V187-E191 HydrophobicContact CG1-CG 4.4Å; V187-E191 WeakPolarHBondContact O-CG 3.34Å; V187-E191 PolarHBondContact O-N 3.38Å |
| 188 | L | 93.9 | Very high | 88.2 | Confident | 83 Ų | 83 | 108.2 Ų | 108.2 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 174.6 | -106.2 | 161.3 | 0 | 0 | 0 | 112.2 | R184 E185 R186 L192 | R184-L188 WeakPolarHBondContact O-CB 3.44Å; R184-L188 PolarHBondContact O-N 2.84Å; E185-L188 WeakPolarHBondContact O-CB 3.41Å; E185-L188 PolarHBondContact O-N 3.21Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.45Å; L188-L192 WeakPolarHBondContact O-CB 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.21Å; L188-L192 PolarHBondContact O-N 3.06Å |
| 189 | L | 93.1 | Very high | 87.1 | Confident | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.8 | -70.7 | 171.3 | 0 | 0 | 0 | 111.8 | E185 R186 V187 L192 E193 | E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 3.37Å; R186-L189 PolarHBondContact O-N 3.17Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 2.94Å; L189-L192 PolarHBondContact O-N 3.31Å; L189-E193 PolarHBondContact O-N 2.85Å |
| 190 | E | 91.6 | Very high | 85.6 | Confident | 131 Ų | 131 | 108.9 Ų | 108.9 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -43.2 | 175.7 | -174.1 | 174.5 | -172 | 0 | 0 | 111.9 | R186 V187 E193 A194 | R186-E190 PolarHBondContact O-N 3.09Å; V187-E190 PolarHBondContact O-N 2.84Å; E190-E193 PolarHBondContact O-N 2.78Å; E190-A194 WeakPolarHBondContact O-CB 3.35Å; E190-A194 PolarHBondContact O-N 3.35Å |
| 191 | E | 92.1 | Very high | 84 | Confident | 115 Ų | 115 | 107.9 Ų | 107.9 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -41.4 | 174.6 | -74.8 | -174.9 | 172.2 | 0 | 0 | 112.1 | V187 E193 A194 L195 | V187-E191 HydrophobicContact CG1-CG 4.4Å; V187-E191 WeakPolarHBondContact O-CG 3.34Å; V187-E191 PolarHBondContact O-N 3.38Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.47Å; E191-A194 PolarHBondContact O-N 3.36Å; E191-L195 WeakPolarHBondContact O-CB 3.32Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 2.9Å |
| 192 | L | 91.4 | Very high | 82.6 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.8 | -74.8 | 172.3 | 0 | 0 | 0 | 111.9 | L188 L189 K196 | L188-L192 WeakPolarHBondContact O-CB 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.21Å; L188-L192 PolarHBondContact O-N 3.06Å; L189-L192 PolarHBondContact O-N 3.31Å; L192-K196 WeakPolarHBondContact O-CB 3.19Å; L192-K196 PolarHBondContact O-N 3.02Å |
| 193 | E | 88 | Confident | 81 | Confident | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.5 | -43.9 | 173.4 | -173.5 | 163.9 | -160.3 | 0 | 0 | 111.4 | L189 E190 E191 L195 K196 Q197 | L189-E193 PolarHBondContact O-N 2.85Å; E190-E193 PolarHBondContact O-N 2.78Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.47Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 3.37Å; E193-K196 CarbonylContact O-C 3.56Å; E193-K196 WeakPolarHBondContact O-CA 3.36Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 3.39Å; E193-Q197 HydrophobicContact CG-CG 4.3Å; E193-Q197 VanDerWaalsContact O-CG 3.27Å; E193-Q197 WeakPolarHBondContact O-CG 3.4Å; E193-Q197 PolarHBondContact O-N 2.88Å |
| 194 | A | 87.1 | Confident | 79.4 | Confident | 59 Ų | 59 | 115.7 Ų | 115.7 | 49% | 0.488 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.9 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E190 E191 K196 Q197 L198 | E190-A194 WeakPolarHBondContact O-CB 3.35Å; E190-A194 PolarHBondContact O-N 3.35Å; E191-A194 PolarHBondContact O-N 3.36Å; A194-K196 VanDerWaalsContact C-N 3.3Å; A194-K196 PolarHBondContact O-N 3.39Å; A194-Q197 PolarHBondContact O-N 3.44Å; A194-L198 PolarHBondContact O-N 2.86Å |
| 195 | L | 81 | Confident | 77.7 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 52% | 0.518 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -30.9 | 174 | -75.6 | 172 | 0 | 0 | 0 | 113 | E191 E193 | E191-L195 WeakPolarHBondContact O-CB 3.32Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 2.9Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 3.37Å |
| 196 | K | 82.8 | Confident | 75.9 | Confident | 165 Ų | 165 | 112.9 Ų | 112.9 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.2 | -35.7 | 173.6 | -178.2 | -174.4 | 173.8 | -170.8 | 0 | 111.9 | L192 E193 A194 | L192-K196 WeakPolarHBondContact O-CB 3.19Å; L192-K196 PolarHBondContact O-N 3.02Å; E193-K196 CarbonylContact O-C 3.56Å; E193-K196 WeakPolarHBondContact O-CA 3.36Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 3.39Å; A194-K196 VanDerWaalsContact C-N 3.3Å; A194-K196 PolarHBondContact O-N 3.39Å |
| 197 | Q | 80.6 | Confident | 74 | Confident | 133 Ų | 133 | 110.8 Ų | 110.8 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.3 | -16.5 | 178.5 | -61.3 | -68.2 | 7.7 | 0 | 0 | 112.9 | E193 A194 | E193-Q197 HydrophobicContact CG-CG 4.3Å; E193-Q197 VanDerWaalsContact O-CG 3.27Å; E193-Q197 WeakPolarHBondContact O-CG 3.4Å; E193-Q197 PolarHBondContact O-N 2.88Å; A194-Q197 PolarHBondContact O-N 3.44Å |
| 198 | L | 72.2 | Confident | 72.3 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -59 | 126.9 | 174.3 | -161.5 | 73.4 | 0 | 0 | 0 | 109.8 | A194 L200 | A194-L198 PolarHBondContact O-N 2.86Å; L198-L200 PolarHBondContact O-N 3.21Å |
| 199 | P | 61.8 | Low | 70.4 | Confident | 95 Ų | 95 | 112.3 Ų | 112.3 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | trans | -58 | 131.7 | -173.6 | -21.8 | 30.4 | 0 | 0 | 0 | 111.6 | A201 | P199-A201 PolarHBondContact O-N 3.49Š| ||
| 200 | L | 57.8 | Low | 68.5 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -3.7 | 176.2 | -88.2 | 96.9 | 0 | 0 | 0 | 115.1 | L198 | L198-L200 PolarHBondContact O-N 3.21Š|
| 201 | A | 53.9 | Low | 66.6 | Low | 74 Ų | 74 | 117.3 Ų | 117.3 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.3 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P199 | P199-A201 PolarHBondContact O-N 3.49Å |
| 202 | G | 55.4 | Low | 64.7 | Low | 35 Ų | 35 | 118.9 Ų | 118.9 | 36% | 0.361 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79.1 | -22.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K204 L206 | G202-K204 VanDerWaalsContact C-N 3.33Å; G202-L206 PolarHBondContact O-N 3.32Å |
| 203 | R | 56.7 | Low | 62.8 | Low | 177 Ų | 177 | 118 Ų | 118 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.6 | -26.9 | 176.9 | -91 | -173.4 | 179 | -175.8 | 1.9 | 112.9 | C207 | R203-C207 WeakPolarHBondContact O-CB 3.39Å; R203-C207 PolarHBondContact O-N 3.28Å; R203-C207 PolarHBondContact O-SG 3.24Å |
| 204 | K | 56.7 | Low | 61 | Low | 165 Ų | 165 | 116.7 Ų | 116.7 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.4 | -36.8 | 177.4 | -145.3 | 173.2 | -175.6 | -178.7 | 0 | 110.9 | G202 C208 | G202-K204 VanDerWaalsContact C-N 3.33Å; K204-C208 PolarHBondContact O-N 3.19Å; K204-C208 VanDerWaalsContact O-N 3.09Å; K204-C208 PolarHBondContact O-SG 3.03Å |
| 205 | E | 56.5 | Low | 59 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 64% | 0.64 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.1 | -45.3 | 174.4 | -79.6 | 169.9 | 157.9 | 0 | 0 | 112.3 | C207 C208 E209 | E205-C207 PolarHBondContact O-N 2.58Å; E205-C208 WeakPolarHBondContact O-CB 3.39Å; E205-C208 PolarHBondContact O-N 2.99Å; E205-C208 VanDerWaalsContact O-N 3.12Å; E205-E209 WeakPolarHBondContact O-CB 3.41Å; E205-E209 PolarHBondContact O-N 2.96Å |
| 206 | L | 54.9 | Low | 57.4 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.5 | -34.8 | 176.7 | -73.6 | 167 | 0 | 0 | 0 | 113.6 | G202 C208 E209 L210 | G202-L206 PolarHBondContact O-N 3.32Å; L206-C208 VanDerWaalsContact C-N 3.32Å; L206-E209 PolarHBondContact O-N 3.22Å; L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 PolarHBondContact O-N 2.91Å |
| 207 | C | 55.2 | Low | 55.6 | Low | 89 Ų | 89 | 122.5 Ų | 122.5 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -30.4 | 173.2 | -80 | 0 | 0 | 0 | 0 | 112.7 | R203 E205 R211 | R203-C207 WeakPolarHBondContact O-CB 3.39Å; R203-C207 PolarHBondContact O-N 3.28Å; R203-C207 PolarHBondContact O-SG 3.24Å; E205-C207 PolarHBondContact O-N 2.58Å; C207-R211 VanDerWaalsContact O-CB 3.28Å; C207-R211 WeakPolarHBondContact O-CB 3.47Å; C207-R211 PolarHBondContact O-N 2.96Å |
| 208 | C | 55.5 | Low | 53.7 | Low | 58 Ų | 58 | 124.6 Ų | 124.6 | 39% | 0.392 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.9 | -47.7 | 171 | -71.4 | 0 | 0 | 0 | 0 | 110.2 | K204 E205 L206 L210 R211 H212 | K204-C208 PolarHBondContact O-N 3.19Å; K204-C208 VanDerWaalsContact O-N 3.09Å; K204-C208 PolarHBondContact O-SG 3.03Å; E205-C208 WeakPolarHBondContact O-CB 3.39Å; E205-C208 PolarHBondContact O-N 2.99Å; E205-C208 VanDerWaalsContact O-N 3.12Å; L206-C208 VanDerWaalsContact C-N 3.32Å; C208-L210 PolarHBondContact O-N 2.89Å; C208-R211 CarbonylContact O-C 3.57Å; C208-R211 WeakPolarHBondContact O-CA 3.28Å; C208-R211 WeakPolarHBondContact O-CB 3.38Å; C208-R211 PolarHBondContact O-N 3.23Å; C208-H212 VanDerWaalsContact C-CD2 3.4Å; C208-H212 PolarHBondContact O-CD2 3.48Å; C208-H212 PolarHBondContact O-CE1 2.93Å; C208-H212 PolarHBondContact O-N 2.9Å; C208-H212 PolarHBondContact O-ND1 3.49Å; C208-H212 PolarHBondContact O-NE2 3.48Å |
| 209 | E | 54.5 | Low | 51.9 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | -176.7 | -143.5 | 161.3 | -155.9 | 0 | 0 | 113.2 | E205 L206 R211 H212 S213 | E205-E209 WeakPolarHBondContact O-CB 3.41Å; E205-E209 PolarHBondContact O-N 2.96Å; L206-E209 PolarHBondContact O-N 3.22Å; E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 2.88Å; E209-H212 PolarHBondContact O-N 3.16Å; E209-S213 PolarHBondContact O-N 3.23Å; E209-S213 PolarHBondContact O-OG 2.85Å |
| 210 | L | 52.8 | Low | 50.8 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68 | -32.2 | 173 | -164.3 | 72.2 | 0 | 0 | 0 | 112.2 | L206 C208 S213 | L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 PolarHBondContact O-N 2.91Å; C208-L210 PolarHBondContact O-N 2.89Å; L210-S213 PolarHBondContact O-N 3.01Å |
| 211 | R | 52.4 | Low | 49.6 | Very low | 204 Ų | 204 | 124.4 Ų | 124.4 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.7 | -25.1 | 178.1 | -164.6 | -176.5 | -86.9 | -142.8 | -2.2 | 112.3 | C207 C208 E209 | C207-R211 VanDerWaalsContact O-CB 3.28Å; C207-R211 WeakPolarHBondContact O-CB 3.47Å; C207-R211 PolarHBondContact O-N 2.96Å; C208-R211 CarbonylContact O-C 3.57Å; C208-R211 WeakPolarHBondContact O-CA 3.28Å; C208-R211 WeakPolarHBondContact O-CB 3.38Å; C208-R211 PolarHBondContact O-N 3.23Å; E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 2.88Å |
| 212 | H | 51.8 | Low | 48.6 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.3 | -15.4 | 173.2 | -52.7 | -33.4 | 0 | 0 | 0 | 113.2 | C208 E209 | C208-H212 VanDerWaalsContact C-CD2 3.4Å; C208-H212 PolarHBondContact O-CD2 3.48Å; C208-H212 PolarHBondContact O-CE1 2.93Å; C208-H212 PolarHBondContact O-N 2.9Å; C208-H212 PolarHBondContact O-ND1 3.49Å; C208-H212 PolarHBondContact O-NE2 3.48Å; E209-H212 PolarHBondContact O-N 3.16Å |
| 213 | S | 50.8 | Low | 47.7 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -89.4 | -7.5 | 177.7 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | E209 L210 T215 | E209-S213 PolarHBondContact O-N 3.23Å; E209-S213 PolarHBondContact O-OG 2.85Å; L210-S213 PolarHBondContact O-N 3.01Å; S213-T215 PolarHBondContact O-N 3.44Å |
| 214 | S | 51.1 | Low | 46.7 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | -85.6 | 90.8 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | Q216 | S214-Q216 VanDerWaalsContact C-N 3.33Å; S214-Q216 PolarHBondContact O-N 3.33Å | ||
| 215 | T | 44.6 | Very low | 45.7 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | trans | -59.4 | 94.9 | 168 | 29.6 | 0 | 0 | 0 | 0 | 110.4 | S213 | S213-T215 PolarHBondContact O-N 3.44Š| ||
| 216 | Q | 47.9 | Very low | 44.9 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | -79.9 | 116.5 | 162.9 | -179.9 | 170.2 | -4.3 | 0 | 0 | 107.9 | S214 | S214-Q216 VanDerWaalsContact C-N 3.33Å; S214-Q216 PolarHBondContact O-N 3.33Å | ||
| 217 | T | 44.4 | Very low | 44.1 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -67.7 | 127.4 | 170.7 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 218 | Q | 40.9 | Very low | 43.1 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | 58.2 | 123.7 | 136.4 | -161.3 | 165.1 | 8.5 | 0 | 0 | 115.9 | ||||
| 219 | D | 35.2 | Very low | 42.2 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | cis | -178.6 | 139.6 | 45.1 | -152.3 | -2.6 | 0 | 0 | 0 | 101.7 | ||||
| 220 | G | 37.3 | Very low | 40.9 | Very low | 59 Ų | 59 | 144.5 Ų | 144.5 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | 148.7 | 150.5 | 48.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 221 | H | 32.8 | Very low | 39.8 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | trans | 86.3 | 108.9 | 177.7 | -147.1 | -71.7 | 0 | 0 | 0 | 115.9 | D223 | H221-D223 IonicContact CE1-OD2 3.35Å; H221-D223 PolarHBondContact CE1-OD2 3.38Å; H221-D223 IonicContact NE2-OD2 2.76Å | ||
| 222 | D | 32.7 | Very low | 39 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | -155.1 | 134.6 | 127.1 | -90.9 | -27.7 | 0 | 0 | 0 | 110.4 | |||||
| 223 | D | 36.2 | Very low | 38.2 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -65.7 | 150.9 | 178.7 | -79.8 | -51.6 | 0 | 0 | 0 | 111.8 | H221 | H221-D223 IonicContact CE1-OD2 3.35Å; H221-D223 PolarHBondContact CE1-OD2 3.38Å; H221-D223 IonicContact NE2-OD2 2.76Å | ||
| 224 | Q | 37.1 | Very low | 37.5 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -57.3 | 132.2 | -180 | -178.3 | 153.1 | 10.5 | 0 | 0 | 115.4 | ||||
| 225 | E | 36 | Very low | 36.9 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -169.4 | 104.1 | 144.9 | -106.1 | 171.4 | -173.8 | 0 | 0 | 108.3 | ||||
| 226 | V | 39.8 | Very low | 36.6 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 78.3 | 117.2 | 85.5 | 172.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 227 | E | 36.7 | Very low | 36 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 71.5 | 102.9 | 151.1 | -73.6 | -179.6 | -172.8 | 0 | 0 | 122 | ||||
| 228 | E | 35.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | 5.6 | 139.9 | 120.8 | -119.4 | -167.7 | 129.2 | 0 | 0 | 119.8 | |||||
| 229 | Q | 35.2 | Very low | 36.4 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 84.5 | 107.6 | 153.6 | -63.8 | 164.4 | 16.2 | 0 | 0 | 117.1 | ||||
| 230 | T | 27.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | -167.7 | 135.4 | 123.3 | 29.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 231 | L | 31.1 | Very low | 37.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | 91.2 | 96 | 140.4 | -66.7 | 156.4 | 0 | 0 | 0 | 120.5 | ||||
| 232 | K | 34.4 | Very low | 38.5 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | 67.4 | 108.8 | 116.2 | -71.2 | -178.9 | -171.2 | 172.8 | 0 | 119.3 | |||||
| 233 | D | 36.4 | Very low | 39.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | 44.3 | 99.5 | 116.7 | -167.9 | 15.9 | 0 | 0 | 0 | 116.9 | T235 | D233-T235 PolarHBondContact OD1-N 3.39Å; D233-T235 PolarHBondContact OD1-OG1 3.27Å | |||
| 234 | K | 35.8 | Very low | 40.5 | Very low | 204 Ų | 204 | 137.6 Ų | 137.6 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | trans | -139.1 | 95.2 | 135.2 | -71.9 | -167.6 | -179.7 | 171.3 | 0 | 109.7 | L236 | K234-L236 PolarHBondContact O-N 2.99Å; K234-L236 VanDerWaalsContact O-N 3.09Å | ||
| 235 | T | 38.1 | Very low | 41.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | trans | -36.6 | 106.6 | 151.1 | -48 | 0 | 0 | 0 | 0 | 110.6 | D233 | D233-T235 PolarHBondContact OD1-N 3.39Å; D233-T235 PolarHBondContact OD1-OG1 3.27Å | ||
| 236 | L | 37.3 | Very low | 42.5 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 90% | 0.895 | 66% | 0.663 | S | S | * | * | trans | -99 | 101.1 | 154.7 | -157.1 | 88.5 | 0 | 0 | 0 | 105.9 | K234 R238 | K234-L236 PolarHBondContact O-N 2.99Å; K234-L236 VanDerWaalsContact O-N 3.09Å; L236-R238 PolarHBondContact O-N 2.99Å | ||
| 237 | E | 36.9 | Very low | 43.8 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 66% | 0.661 | S | S | * | * | trans | -39.4 | 103.5 | 170.7 | -167.3 | 178.9 | -150.3 | 0 | 0 | 110.6 | S239 | E237-S239 PolarHBondContact O-N 2.82Š| ||
| 238 | R | 50 | Low | 45.3 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | trans | -70.2 | 113.7 | 163.2 | -170.6 | 167.4 | -167.9 | 126.1 | -1.1 | 105.2 | L236 | L236-R238 PolarHBondContact O-N 2.99Š| ||
| 239 | S | 43.7 | Very low | 47.2 | Very low | 36 Ų | 36 | 125.1 Ų | 125.1 | 25% | 0.252 | 63% | 0.631 | S | S | . | * | trans | -51.5 | 135.9 | -178.6 | 79.4 | 0 | 0 | 0 | 0 | 109 | E237 E241 D242 | E237-S239 PolarHBondContact O-N 2.82Å; S239-E241 PolarHBondContact O-N 3.43Å; S239-E241 VanDerWaalsContact O-N 3.1Å; S239-D242 PolarHBondContact O-N 3.41Å; S239-D242 VanDerWaalsContact O-N 3.17Å; S239-D242 WeakPolarHBondContact OG-CB 3.46Å; S239-D242 PolarHBondContact OG-N 2.89Å; S239-D242 PolarHBondContact OG-OD2 2.91Å | ||
| 240 | P | 52.6 | Low | 49.1 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59 | -21.1 | 174 | 21.9 | -30.3 | 0 | 0 | 0 | 111.2 | L244 | P240-L244 WeakPolarHBondContact O-CB 3.47Å; P240-L244 WeakPolarHBondContact O-CD1 3.22Å; P240-L244 WeakPolarHBondContact O-CG 3.49Å; P240-L244 PolarHBondContact O-N 2.86Å; P240-L244 VanDerWaalsContact O-N 3.12Å |
| 241 | E | 48.3 | Very low | 51.7 | Low | 139 Ų | 139 | 119.4 Ų | 119.4 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -39.1 | 177.1 | -57.4 | -169.5 | 176.4 | 0 | 0 | 112.7 | S239 L244 L245 | S239-E241 PolarHBondContact O-N 3.43Å; S239-E241 VanDerWaalsContact O-N 3.1Å; E241-L244 PolarHBondContact O-N 2.87Å; E241-L245 WeakPolarHBondContact O-CB 3.36Å; E241-L245 WeakPolarHBondContact O-CD1 3.37Å; E241-L245 VanDerWaalsContact O-CG 3.25Å; E241-L245 WeakPolarHBondContact O-CG 3.35Å; E241-L245 PolarHBondContact O-N 3.26Å |
| 242 | D | 47.8 | Very low | 54.4 | Low | 85 Ų | 85 | 119 Ų | 119 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.8 | -33.8 | 177.9 | -68.6 | -43.7 | 0 | 0 | 0 | 112.8 | S239 D246 | S239-D242 PolarHBondContact O-N 3.41Å; S239-D242 VanDerWaalsContact O-N 3.17Å; S239-D242 WeakPolarHBondContact OG-CB 3.46Å; S239-D242 PolarHBondContact OG-N 2.89Å; S239-D242 PolarHBondContact OG-OD2 2.91Å; D242-D246 PolarHBondContact O-N 3.47Å |
| 243 | A | 55.7 | Low | 56.9 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.9 | -28.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R247 | A243-R247 PolarHBondContact O-N 2.72Å |
| 244 | L | 55.3 | Low | 59.6 | Low | 97 Ų | 97 | 121 Ų | 121 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -78 | -37 | 173.9 | -72.3 | 169.5 | 0 | 0 | 0 | 111.9 | P240 E241 R247 N248 | P240-L244 WeakPolarHBondContact O-CB 3.47Å; P240-L244 WeakPolarHBondContact O-CD1 3.22Å; P240-L244 WeakPolarHBondContact O-CG 3.49Å; P240-L244 PolarHBondContact O-N 2.86Å; P240-L244 VanDerWaalsContact O-N 3.12Å; E241-L244 PolarHBondContact O-N 2.87Å; L244-R247 PolarHBondContact O-N 2.93Å; L244-N248 WeakPolarHBondContact O-CB 3.38Å; L244-N248 PolarHBondContact O-N 2.91Å; L244-N248 PolarHBondContact O-ND2 3.03Å; L244-N248 VanDerWaalsContact O-ND2 3.13Å |
| 245 | L | 57.3 | Low | 62.3 | Low | 92 Ų | 92 | 114 Ų | 114 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 174.5 | -79.5 | 162.8 | 0 | 0 | 0 | 111.8 | E241 R247 N248 L249 | E241-L245 WeakPolarHBondContact O-CB 3.36Å; E241-L245 WeakPolarHBondContact O-CD1 3.37Å; E241-L245 VanDerWaalsContact O-CG 3.25Å; E241-L245 WeakPolarHBondContact O-CG 3.35Å; E241-L245 PolarHBondContact O-N 3.26Å; L245-R247 VanDerWaalsContact C-N 3.31Å; L245-R247 PolarHBondContact O-N 2.87Å; L245-N248 PolarHBondContact O-N 3.06Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 VanDerWaalsContact O-CG 3.23Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.49Å |
| 246 | D | 58.7 | Low | 64.9 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.1 | -36.8 | 176.8 | -163.1 | 21.3 | 0 | 0 | 0 | 111.9 | D242 S250 | D242-D246 PolarHBondContact O-N 3.47Å; D246-S250 WeakPolarHBondContact O-CB 3.42Å; D246-S250 PolarHBondContact O-N 3.48Å |
| 247 | R | 66 | Low | 67.6 | Low | 172 Ų | 172 | 112.2 Ų | 112.2 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -40.4 | 172.6 | -177.8 | 170.2 | -72.4 | -132.8 | -2.3 | 112.7 | A243 L244 L245 S250 N251 | A243-R247 PolarHBondContact O-N 2.72Å; L244-R247 PolarHBondContact O-N 2.93Å; L245-R247 VanDerWaalsContact C-N 3.31Å; L245-R247 PolarHBondContact O-N 2.87Å; R247-S250 PolarHBondContact O-N 2.91Å; R247-N251 WeakPolarHBondContact O-CB 3.42Å; R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 PolarHBondContact O-ND2 3.47Å |
| 248 | N | 69.1 | Low | 70.4 | Confident | 93 Ų | 93 | 111 Ų | 111 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 178.8 | -72.1 | -25.8 | 0 | 0 | 0 | 111.7 | L244 L245 S250 N251 E252 | L244-N248 WeakPolarHBondContact O-CB 3.38Å; L244-N248 PolarHBondContact O-N 2.91Å; L244-N248 PolarHBondContact O-ND2 3.03Å; L244-N248 VanDerWaalsContact O-ND2 3.13Å; L245-N248 PolarHBondContact O-N 3.06Å; N248-S250 VanDerWaalsContact C-N 3.34Å; N248-S250 PolarHBondContact O-N 3.43Å; N248-N251 PolarHBondContact O-N 2.98Å; N248-E252 WeakPolarHBondContact O-CB 3.45Å; N248-E252 PolarHBondContact O-N 3.32Å |
| 249 | L | 73.6 | Confident | 72.6 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 174.3 | -68.8 | 173.3 | 0 | 0 | 0 | 111.9 | L245 E252 R253 | L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 VanDerWaalsContact O-CG 3.23Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.49Å; L249-E252 PolarHBondContact O-N 2.93Å; L249-R253 WeakPolarHBondContact O-CB 3.38Å; L249-R253 VanDerWaalsContact O-CG 3.28Å; L249-R253 WeakPolarHBondContact O-CG 3.35Å; L249-R253 PolarHBondContact O-N 3.04Å |
| 250 | S | 75.4 | Confident | 75 | Confident | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | D246 R247 N248 R253 Y254 | D246-S250 WeakPolarHBondContact O-CB 3.42Å; D246-S250 PolarHBondContact O-N 3.48Å; R247-S250 PolarHBondContact O-N 2.91Å; N248-S250 VanDerWaalsContact C-N 3.34Å; N248-S250 PolarHBondContact O-N 3.43Å; S250-R253 PolarHBondContact O-N 3.11Å; S250-Y254 WeakPolarHBondContact O-CB 3.24Å; S250-Y254 PolarHBondContact O-N 3.41Å |
| 251 | N | 82.8 | Confident | 77.1 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.5 | -72.8 | -22.1 | 0 | 0 | 0 | 112.4 | R247 N248 Y254 A255 | R247-N251 WeakPolarHBondContact O-CB 3.42Å; R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 PolarHBondContact O-ND2 3.47Å; N248-N251 PolarHBondContact O-N 2.98Å; N251-Y254 PolarHBondContact O-N 3.33Å; N251-A255 WeakPolarHBondContact O-CB 3.5Å; N251-A255 PolarHBondContact O-N 3.37Å |
| 252 | E | 87.1 | Confident | 79.4 | Confident | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67 | -44.2 | 176.4 | -169.5 | 178.1 | -175.9 | 0 | 0 | 111.5 | N248 L249 Y254 A255 L256 | N248-E252 WeakPolarHBondContact O-CB 3.45Å; N248-E252 PolarHBondContact O-N 3.32Å; L249-E252 PolarHBondContact O-N 2.93Å; E252-Y254 VanDerWaalsContact C-N 3.28Å; E252-Y254 PolarHBondContact O-N 2.91Å; E252-A255 PolarHBondContact O-N 2.96Å; E252-L256 HydrophobicContact CG-CD1 4.19Å; E252-L256 WeakPolarHBondContact O-CB 3.42Å; E252-L256 PolarHBondContact O-N 2.83Å |
| 253 | R | 87.6 | Confident | 81.8 | Confident | 192 Ų | 192 | 111 Ų | 111 | 73% | 0.725 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.7 | -38.9 | 171.8 | -76.1 | 178.8 | -179.4 | -174.7 | 1.8 | 112 | L249 S250 K257 | L249-R253 WeakPolarHBondContact O-CB 3.38Å; L249-R253 VanDerWaalsContact O-CG 3.28Å; L249-R253 WeakPolarHBondContact O-CG 3.35Å; L249-R253 PolarHBondContact O-N 3.04Å; S250-R253 PolarHBondContact O-N 3.11Å; R253-K257 WeakPolarHBondContact O-CB 3.24Å; R253-K257 PolarHBondContact O-N 3.31Å |
| 254 | Y | 93.1 | Very high | 83.8 | Confident | 158 Ų | 158 | 113.4 Ų | 113.4 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 175.1 | -179.3 | -96.1 | 0 | 0 | 0 | 112 | S250 N251 E252 K257 K258 | S250-Y254 WeakPolarHBondContact O-CB 3.24Å; S250-Y254 PolarHBondContact O-N 3.41Å; N251-Y254 PolarHBondContact O-N 3.33Å; E252-Y254 VanDerWaalsContact C-N 3.28Å; E252-Y254 PolarHBondContact O-N 2.91Å; Y254-K257 PolarHBondContact O-N 3.42Å; Y254-K258 VanDerWaalsContact O-CB 3.31Å; Y254-K258 WeakPolarHBondContact O-CB 3.4Å; Y254-K258 PolarHBondContact O-N 3.28Å |
| 255 | A | 93 | Very high | 85.8 | Confident | 57 Ų | 57 | 115.3 Ų | 115.3 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | N251 E252 K258 A259 | N251-A255 WeakPolarHBondContact O-CB 3.5Å; N251-A255 PolarHBondContact O-N 3.37Å; E252-A255 PolarHBondContact O-N 2.96Å; A255-K258 WeakPolarHBondContact O-CB 3.25Å; A255-K258 PolarHBondContact O-N 2.9Å; A255-A259 WeakPolarHBondContact O-CB 3.39Å; A255-A259 PolarHBondContact O-N 3.33Å |
| 256 | L | 92.1 | Very high | 87.7 | Confident | 109 Ų | 109 | 114.7 Ų | 114.7 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -47.1 | 173.4 | -84.1 | 160.5 | 0 | 0 | 0 | 111.4 | E252 K258 A259 N260 | E252-L256 HydrophobicContact CG-CD1 4.19Å; E252-L256 WeakPolarHBondContact O-CB 3.42Å; E252-L256 PolarHBondContact O-N 2.83Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 2.72Å; L256-A259 PolarHBondContact O-N 3.45Å; L256-N260 VanDerWaalsContact O-CB 3.28Å; L256-N260 WeakPolarHBondContact O-CB 3.39Å; L256-N260 PolarHBondContact O-N 3.5Å |
| 257 | K | 94.3 | Very high | 89.6 | Confident | 145 Ų | 145 | 114 Ų | 114 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.9 | -39.6 | 175.6 | -174.1 | 172.2 | -177.6 | 175.4 | 0 | 111.3 | R253 Y254 N260 N261 | R253-K257 WeakPolarHBondContact O-CB 3.24Å; R253-K257 PolarHBondContact O-N 3.31Å; Y254-K257 PolarHBondContact O-N 3.42Å; K257-N260 PolarHBondContact O-N 2.88Å; K257-N261 WeakPolarHBondContact O-CB 3.49Å; K257-N261 PolarHBondContact O-N 3.09Å; K257-N261 PolarHBondContact O-ND2 3.06Å |
| 258 | K | 95.4 | Very high | 91.1 | Very high | 139 Ų | 139 | 110.2 Ų | 110.2 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 176.7 | -174.7 | 175.8 | -179.6 | 178.5 | 0 | 112.2 | Y254 A255 L256 N261 R262 | Y254-K258 VanDerWaalsContact O-CB 3.31Å; Y254-K258 WeakPolarHBondContact O-CB 3.4Å; Y254-K258 PolarHBondContact O-N 3.28Å; A255-K258 WeakPolarHBondContact O-CB 3.25Å; A255-K258 PolarHBondContact O-N 2.9Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 2.72Å; K258-N261 PolarHBondContact O-N 3.01Å; K258-R262 PolarHBondContact O-N 2.94Å |
| 259 | A | 96.3 | Very high | 92.5 | Very high | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A255 L256 R262 L263 | A255-A259 WeakPolarHBondContact O-CB 3.39Å; A255-A259 PolarHBondContact O-N 3.33Å; L256-A259 PolarHBondContact O-N 3.45Å; A259-R262 WeakPolarHBondContact O-CB 3.49Å; A259-R262 PolarHBondContact O-N 2.92Å; A259-R262 VanDerWaalsContact O-N 3.15Å; A259-L263 PolarHBondContact O-N 3.44Å |
| 260 | N | 94.7 | Very high | 93.7 | Very high | 109 Ų | 109 | 110.2 Ų | 110.2 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 178.2 | -156.6 | -31.8 | 0 | 0 | 0 | 111.4 | L256 K257 R262 L263 L264 | L256-N260 VanDerWaalsContact O-CB 3.28Å; L256-N260 WeakPolarHBondContact O-CB 3.39Å; L256-N260 PolarHBondContact O-N 3.5Å; K257-N260 PolarHBondContact O-N 2.88Å; N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.16Å; N260-L263 PolarHBondContact O-N 3.13Å; N260-L264 WeakPolarHBondContact O-CB 3.35Å; N260-L264 PolarHBondContact O-N 3.04Å |
| 261 | N | 96.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 111.3 Ų | 111.3 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 171.4 | -84.2 | -81.3 | 0 | 0 | 0 | 112.8 | K257 K258 K265 | K257-N261 WeakPolarHBondContact O-CB 3.49Å; K257-N261 PolarHBondContact O-N 3.09Å; K257-N261 PolarHBondContact O-ND2 3.06Å; K258-N261 PolarHBondContact O-N 3.01Å; N261-K265 PolarHBondContact O-N 3.35Å; N261-K265 VanDerWaalsContact O-N 3.11Å |
| 262 | R | 96.6 | Very high | 95.5 | Very high | 188 Ų | 188 | 113.2 Ų | 113.2 | 71% | 0.709 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.4 | -43.3 | 175.2 | -175 | 178.6 | 178.9 | 178.8 | -0.5 | 111.5 | K258 A259 N260 K265 I266 | K258-R262 PolarHBondContact O-N 2.94Å; A259-R262 WeakPolarHBondContact O-CB 3.49Å; A259-R262 PolarHBondContact O-N 2.92Å; A259-R262 VanDerWaalsContact O-N 3.15Å; N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.16Å; R262-K265 WeakPolarHBondContact O-CB 3.33Å; R262-K265 PolarHBondContact O-N 3.31Å; R262-I266 HydrophobicContact CG-CD1 4.24Å; R262-I266 WeakPolarHBondContact O-CG1 3.42Å; R262-I266 PolarHBondContact O-N 3.39Å |
| 263 | L | 97.6 | Very high | 96 | Very high | 93 Ų | 93 | 111.8 Ų | 111.8 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.4 | -44.6 | 176.1 | 179.4 | 62.1 | 0 | 0 | 0 | 111 | A259 N260 K265 I266 L267 | A259-L263 PolarHBondContact O-N 3.44Å; N260-L263 PolarHBondContact O-N 3.13Å; L263-K265 VanDerWaalsContact C-N 3.25Å; L263-K265 PolarHBondContact O-N 2.99Å; L263-I266 PolarHBondContact O-N 3.47Å; L263-I266 VanDerWaalsContact O-N 3.11Å; L263-L267 HydrophobicContact CD1-CD1 4.32Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.97Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 3.29Å |
| 264 | L | 97.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 106.4 Ų | 106.4 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.1 | -39.6 | 176 | -175.1 | 64.1 | 0 | 0 | 0 | 111.7 | N260 L268 | N260-L264 WeakPolarHBondContact O-CB 3.35Å; N260-L264 PolarHBondContact O-N 3.04Å; L264-L268 VanDerWaalsContact O-CB 3.32Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 PolarHBondContact O-N 3.03Å |
| 265 | K | 97.6 | Very high | 96.7 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.3 | -169.4 | 175.9 | -179.8 | -179 | 0 | 112.3 | N261 R262 L263 L268 E269 | N261-K265 PolarHBondContact O-N 3.35Å; N261-K265 VanDerWaalsContact O-N 3.11Å; R262-K265 WeakPolarHBondContact O-CB 3.33Å; R262-K265 PolarHBondContact O-N 3.31Å; L263-K265 VanDerWaalsContact C-N 3.25Å; L263-K265 PolarHBondContact O-N 2.99Å; K265-L268 PolarHBondContact O-N 3.42Å; K265-E269 PolarHBondContact O-N 2.9Å |
| 266 | I | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 101.8 Ų | 101.8 | 41% | 0.41 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 176.4 | -66.7 | 165 | 0 | 0 | 0 | 110.3 | R262 L263 L268 E269 V270 | R262-I266 HydrophobicContact CG-CD1 4.24Å; R262-I266 WeakPolarHBondContact O-CG1 3.42Å; R262-I266 PolarHBondContact O-N 3.39Å; L263-I266 PolarHBondContact O-N 3.47Å; L263-I266 VanDerWaalsContact O-N 3.11Å; I266-L268 VanDerWaalsContact C-N 3.27Å; I266-L268 PolarHBondContact O-N 3Å; I266-E269 PolarHBondContact O-N 2.91Å; I266-E269 VanDerWaalsContact O-N 3.1Å; I266-V270 HydrophobicContact CG2-CG2 4.42Å; I266-V270 WeakPolarHBondContact O-CG2 3.28Å; I266-V270 PolarHBondContact O-N 3.3Å |
| 267 | L | 97.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 176.2 | -75.1 | 169.3 | 0 | 0 | 0 | 111.4 | L263 E269 V270 V271 | L263-L267 HydrophobicContact CD1-CD1 4.32Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.97Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 3.29Å; L267-E269 PolarHBondContact O-N 3.16Å; L267-V270 PolarHBondContact O-N 3.38Å; L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.26Å; L267-V271 PolarHBondContact O-N 3.46Å |
| 268 | L | 98 | Very high | 97.2 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175 | -178.2 | 63.6 | 0 | 0 | 0 | 112.3 | L264 K265 I266 K272 | L264-L268 VanDerWaalsContact O-CB 3.32Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 PolarHBondContact O-N 3.03Å; K265-L268 PolarHBondContact O-N 3.42Å; I266-L268 VanDerWaalsContact C-N 3.27Å; I266-L268 PolarHBondContact O-N 3Å; L268-K272 VanDerWaalsContact O-CG 3.28Å; L268-K272 WeakPolarHBondContact O-CG 3.38Å; L268-K272 PolarHBondContact O-N 2.95Å; L268-K272 VanDerWaalsContact O-N 3.07Å |
| 269 | E | 97.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.4 | -75.6 | 175.7 | -179.5 | 0 | 0 | 111.4 | K265 I266 L267 V271 K272 T273 | K265-E269 PolarHBondContact O-N 2.9Å; I266-E269 PolarHBondContact O-N 2.91Å; I266-E269 VanDerWaalsContact O-N 3.1Å; L267-E269 PolarHBondContact O-N 3.16Å; E269-V271 PolarHBondContact O-N 2.99Å; E269-K272 WeakPolarHBondContact O-CB 3.44Å; E269-K272 PolarHBondContact O-N 3.32Å; E269-T273 WeakPolarHBondContact O-CG2 3.36Å; E269-T273 PolarHBondContact O-N 3.38Å; E269-T273 PolarHBondContact O-OG1 2.93Å |
| 270 | V | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I266 L267 K272 T273 T274 | I266-V270 HydrophobicContact CG2-CG2 4.42Å; I266-V270 WeakPolarHBondContact O-CG2 3.28Å; I266-V270 PolarHBondContact O-N 3.3Å; L267-V270 PolarHBondContact O-N 3.38Å; V270-K272 VanDerWaalsContact C-N 3.29Å; V270-K272 PolarHBondContact O-N 2.88Å; V270-T273 WeakPolarHBondContact CA-OG1 3.28Å; V270-T273 PolarHBondContact O-N 3.22Å; V270-T273 VanDerWaalsContact O-N 3.17Å; V270-T273 PolarHBondContact O-OG1 3.43Å; V270-T274 WeakPolarHBondContact O-CB 3.48Å; V270-T274 PolarHBondContact O-N 3.28Å; V270-T274 PolarHBondContact O-OG1 3.05Å |
| 271 | V | 98.4 | Very high | 97.4 | Very high | 93 Ų | 93 | 97 Ų | 97 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.2 | -41.4 | 178 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L267 E269 T274 S275 | L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.26Å; L267-V271 PolarHBondContact O-N 3.46Å; E269-V271 PolarHBondContact O-N 2.99Å; V271-T274 PolarHBondContact O-N 3.33Å; V271-S275 VanDerWaalsContact O-CB 3.24Å; V271-S275 WeakPolarHBondContact O-CB 3.49Å; V271-S275 PolarHBondContact O-N 3.25Å |
| 272 | K | 98.3 | Very high | 97.4 | Very high | 131 Ų | 131 | 94.3 Ų | 94.3 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 175.7 | -75.6 | 173.2 | 178.7 | -177.5 | 0 | 112.2 | L268 E269 V270 A276 | L268-K272 VanDerWaalsContact O-CG 3.28Å; L268-K272 WeakPolarHBondContact O-CG 3.38Å; L268-K272 PolarHBondContact O-N 2.95Å; L268-K272 VanDerWaalsContact O-N 3.07Å; E269-K272 WeakPolarHBondContact O-CB 3.44Å; E269-K272 PolarHBondContact O-N 3.32Å; V270-K272 VanDerWaalsContact C-N 3.29Å; V270-K272 PolarHBondContact O-N 2.88Å; K272-A276 WeakPolarHBondContact O-CB 3.36Å; K272-A276 PolarHBondContact O-N 3.37Å |
| 273 | T | 98.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 92 Ų | 92 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | E269 V270 A276 A277 | E269-T273 WeakPolarHBondContact O-CG2 3.36Å; E269-T273 PolarHBondContact O-N 3.38Å; E269-T273 PolarHBondContact O-OG1 2.93Å; V270-T273 WeakPolarHBondContact CA-OG1 3.28Å; V270-T273 PolarHBondContact O-N 3.22Å; V270-T273 VanDerWaalsContact O-N 3.17Å; V270-T273 PolarHBondContact O-OG1 3.43Å; T273-A276 PolarHBondContact O-N 2.9Å; T273-A277 WeakPolarHBondContact O-CB 3.5Å; T273-A277 PolarHBondContact O-N 3.18Å |
| 274 | T | 97.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 93.6 Ų | 93.6 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | V270 V271 A276 A277 E278 | V270-T274 WeakPolarHBondContact O-CB 3.48Å; V270-T274 PolarHBondContact O-N 3.28Å; V270-T274 PolarHBondContact O-OG1 3.05Å; V271-T274 PolarHBondContact O-N 3.33Å; T274-A276 PolarHBondContact O-N 2.67Å; T274-A277 PolarHBondContact O-N 3.25Å; T274-E278 WeakPolarHBondContact O-CB 3.48Å; T274-E278 PolarHBondContact O-N 3.26Å |
| 275 | S | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 92 Ų | 92 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | V271 E278 E279 | V271-S275 VanDerWaalsContact O-CB 3.24Å; V271-S275 WeakPolarHBondContact O-CB 3.49Å; V271-S275 PolarHBondContact O-N 3.25Å; S275-E278 PolarHBondContact O-N 2.94Å; S275-E279 WeakPolarHBondContact O-CB 3.44Å; S275-E279 PolarHBondContact O-N 3.07Å |
| 276 | A | 97.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 90.1 Ų | 90.1 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K272 T273 T274 T280 | K272-A276 WeakPolarHBondContact O-CB 3.36Å; K272-A276 PolarHBondContact O-N 3.37Å; T273-A276 PolarHBondContact O-N 2.9Å; T274-A276 PolarHBondContact O-N 2.67Å; A276-T280 WeakPolarHBondContact O-CB 3.47Å; A276-T280 PolarHBondContact O-N 3.35Å; A276-T280 PolarHBondContact O-OG1 2.8Å |
| 277 | A | 97.1 | Very high | 96.2 | Very high | 47 Ų | 47 | 87.8 Ų | 87.8 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T273 T274 T280 I281 | T273-A277 WeakPolarHBondContact O-CB 3.5Å; T273-A277 PolarHBondContact O-N 3.18Å; T274-A277 PolarHBondContact O-N 3.25Å; A277-T280 WeakPolarHBondContact O-CB 3.31Å; A277-T280 PolarHBondContact O-N 3.1Å; A277-I281 WeakPolarHBondContact O-CG1 3.24Å; A277-I281 PolarHBondContact O-N 3.48Å |
| 278 | E | 96.3 | Very high | 95.8 | Very high | 135 Ų | 135 | 89.2 Ų | 89.2 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.2 | -174.4 | -178.7 | 176.4 | 0 | 0 | 111.4 | T274 S275 T280 I281 G282 | T274-E278 WeakPolarHBondContact O-CB 3.48Å; T274-E278 PolarHBondContact O-N 3.26Å; S275-E278 PolarHBondContact O-N 2.94Å; E278-T280 VanDerWaalsContact C-N 3.27Å; E278-T280 PolarHBondContact O-N 3.25Å; E278-I281 PolarHBondContact O-N 3.04Å; E278-G282 PolarHBondContact O-N 3.42Å |
| 279 | E | 96.8 | Very high | 95.1 | Very high | 109 Ų | 109 | 89.8 Ų | 89.8 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.5 | -166.1 | -170.2 | -179.4 | 0 | 0 | 111.3 | S275 G282 R283 | S275-E279 WeakPolarHBondContact O-CB 3.44Å; S275-E279 PolarHBondContact O-N 3.07Å; E279-G282 PolarHBondContact O-N 3.22Å; E279-R283 VanDerWaalsContact CD-CZ 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.37Å; E279-R283 PolarHBondContact O-N 3.36Å; E279-R283 IonicContact OE1-CZ 3.32Å; E279-R283 IonicContact OE1-NE 2.89Å; E279-R283 IonicContact OE1-NH2 2.82Å; E279-R283 PolarHBondContact OE1-NH2 3.19Å; E279-R283 IonicContact OE2-CZ 3.99Å; E279-R283 IonicContact OE2-NH2 2.72Å; E279-R283 PolarHBondContact OE2-NH2 3.47Å |
| 280 | T | 97.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 89.3 Ų | 89.3 | 37% | 0.368 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111 | A276 A277 E278 G282 R283 H284 | A276-T280 WeakPolarHBondContact O-CB 3.47Å; A276-T280 PolarHBondContact O-N 3.35Å; A276-T280 PolarHBondContact O-OG1 2.8Å; A277-T280 WeakPolarHBondContact O-CB 3.31Å; A277-T280 PolarHBondContact O-N 3.1Å; E278-T280 VanDerWaalsContact C-N 3.27Å; E278-T280 PolarHBondContact O-N 3.25Å; T280-G282 PolarHBondContact O-N 3.5Å; T280-R283 PolarHBondContact O-N 3.26Å; T280-H284 VanDerWaalsContact CG2-CE1 3.5Å; T280-H284 WeakPolarHBondContact CG2-CE1 3.5Å; T280-H284 PolarHBondContact O-N 3.05Å; T280-H284 VanDerWaalsContact O-N 3.12Å; T280-H284 PolarHBondContact O-ND1 2.86Å |
| 281 | I | 96.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 176.2 | -66.9 | 165 | 0 | 0 | 0 | 110.2 | A277 E278 R283 H284 V285 | A277-I281 WeakPolarHBondContact O-CG1 3.24Å; A277-I281 PolarHBondContact O-N 3.48Å; E278-I281 PolarHBondContact O-N 3.04Å; I281-R283 VanDerWaalsContact C-N 3.35Å; I281-R283 PolarHBondContact O-N 3.43Å; I281-H284 WeakPolarHBondContact O-CB 3.42Å; I281-H284 PolarHBondContact O-N 3.26Å; I281-V285 HydrophobicContact CG2-CG2 4.16Å; I281-V285 WeakPolarHBondContact O-CG2 3.48Å; I281-V285 PolarHBondContact O-N 3.1Å |
| 282 | G | 95.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 96.1 Ų | 96.1 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E278 E279 T280 V285 L286 | E278-G282 PolarHBondContact O-N 3.42Å; E279-G282 PolarHBondContact O-N 3.22Å; T280-G282 PolarHBondContact O-N 3.5Å; G282-V285 PolarHBondContact O-N 3.22Å; G282-L286 VanDerWaalsContact O-CB 3.27Å; G282-L286 WeakPolarHBondContact O-CB 3.39Å; G282-L286 PolarHBondContact O-N 3.37Å |
| 283 | R | 93.8 | Very high | 88.6 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 174 | -70.8 | -168.1 | -145 | 98.8 | -12.3 | 112.8 | E279 T280 I281 G287 | E279-R283 VanDerWaalsContact CD-CZ 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.37Å; E279-R283 PolarHBondContact O-N 3.36Å; E279-R283 IonicContact OE1-CZ 3.32Å; E279-R283 IonicContact OE1-NE 2.89Å; E279-R283 IonicContact OE1-NH2 2.82Å; E279-R283 PolarHBondContact OE1-NH2 3.19Å; E279-R283 IonicContact OE2-CZ 3.99Å; E279-R283 IonicContact OE2-NH2 2.72Å; E279-R283 PolarHBondContact OE2-NH2 3.47Å; T280-R283 PolarHBondContact O-N 3.26Å; I281-R283 VanDerWaalsContact C-N 3.35Å; I281-R283 PolarHBondContact O-N 3.43Å; R283-G287 PolarHBondContact O-N 2.99Å |
| 284 | H | 94.4 | Very high | 86.7 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 176.3 | -72.6 | 100.2 | 0 | 0 | 0 | 111.6 | T280 I281 G287 I288 | T280-H284 VanDerWaalsContact CG2-CE1 3.5Å; T280-H284 WeakPolarHBondContact CG2-CE1 3.5Å; T280-H284 PolarHBondContact O-N 3.05Å; T280-H284 VanDerWaalsContact O-N 3.12Å; T280-H284 PolarHBondContact O-ND1 2.86Å; I281-H284 WeakPolarHBondContact O-CB 3.42Å; I281-H284 PolarHBondContact O-N 3.26Å; H284-G287 PolarHBondContact O-N 3.04Å; H284-I288 WeakPolarHBondContact O-CG1 3.38Å; H284-I288 PolarHBondContact O-N 2.93Å; H284-I288 VanDerWaalsContact O-N 3.07Å |
| 285 | V | 96 | Very high | 84.3 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | I281 G282 G287 I288 L289 | I281-V285 HydrophobicContact CG2-CG2 4.16Å; I281-V285 WeakPolarHBondContact O-CG2 3.48Å; I281-V285 PolarHBondContact O-N 3.1Å; G282-V285 PolarHBondContact O-N 3.22Å; V285-G287 VanDerWaalsContact C-N 3.31Å; V285-G287 PolarHBondContact O-N 3.34Å; V285-I288 PolarHBondContact O-N 3.28Å; V285-I288 VanDerWaalsContact O-N 3.15Å; V285-L289 HydrophobicContact CG1-CD1 3.77Å; V285-L289 WeakPolarHBondContact O-CD1 3.36Å; V285-L289 PolarHBondContact O-N 3.41Å |
| 286 | L | 91.2 | Very high | 81.6 | Confident | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.6 | -38.9 | 176.5 | -170.5 | 64.9 | 0 | 0 | 0 | 111.7 | G282 I288 L289 D290 | G282-L286 VanDerWaalsContact O-CB 3.27Å; G282-L286 WeakPolarHBondContact O-CB 3.39Å; G282-L286 PolarHBondContact O-N 3.37Å; L286-I288 VanDerWaalsContact C-N 3.28Å; L286-I288 PolarHBondContact O-N 2.96Å; L286-L289 PolarHBondContact O-N 2.83Å; L286-D290 WeakPolarHBondContact O-CB 3.41Å; L286-D290 PolarHBondContact O-N 3.12Å |
| 287 | G | 87 | Confident | 79.4 | Confident | 31 Ų | 31 | 109 Ų | 109 | 32% | 0.32 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.2 | -31.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R283 H284 V285 R291 | R283-G287 PolarHBondContact O-N 2.99Å; H284-G287 PolarHBondContact O-N 3.04Å; V285-G287 VanDerWaalsContact C-N 3.31Å; V285-G287 PolarHBondContact O-N 3.34Å; G287-R291 WeakPolarHBondContact O-CB 3.36Å; G287-R291 WeakPolarHBondContact O-CD 3.39Å; G287-R291 VanDerWaalsContact O-CG 3.26Å; G287-R291 WeakPolarHBondContact O-CG 3.45Å; G287-R291 PolarHBondContact O-N 3.47Å |
| 288 | I | 88.8 | Confident | 77 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -44.3 | 173.6 | -64.9 | 163.4 | 0 | 0 | 0 | 110.4 | H284 V285 L286 S292 | H284-I288 WeakPolarHBondContact O-CG1 3.38Å; H284-I288 PolarHBondContact O-N 2.93Å; H284-I288 VanDerWaalsContact O-N 3.07Å; V285-I288 PolarHBondContact O-N 3.28Å; V285-I288 VanDerWaalsContact O-N 3.15Å; L286-I288 VanDerWaalsContact C-N 3.28Å; L286-I288 PolarHBondContact O-N 2.96Å; I288-S292 PolarHBondContact O-N 2.9Å; I288-S292 VanDerWaalsContact O-N 3.09Å |
| 289 | L | 83.4 | Confident | 74.6 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -45.8 | 179.2 | -76.5 | 152.3 | 0 | 0 | 0 | 112.3 | V285 L286 R291 S292 S293 | V285-L289 HydrophobicContact CG1-CD1 3.77Å; V285-L289 WeakPolarHBondContact O-CD1 3.36Å; V285-L289 PolarHBondContact O-N 3.41Å; L286-L289 PolarHBondContact O-N 2.83Å; L289-R291 PolarHBondContact O-N 2.98Å; L289-S292 WeakPolarHBondContact O-CB 3.45Å; L289-S292 PolarHBondContact O-N 2.95Å; L289-S292 VanDerWaalsContact O-N 3.17Å; L289-S293 PolarHBondContact O-N 2.74Å |
| 290 | D | 79.1 | Confident | 72 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65 | -40.3 | -179.7 | -80.4 | -12.3 | 0 | 0 | 0 | 111.7 | L286 S292 S293 | L286-D290 WeakPolarHBondContact O-CB 3.41Å; L286-D290 PolarHBondContact O-N 3.12Å; D290-S292 VanDerWaalsContact C-N 3.3Å; D290-S292 PolarHBondContact O-N 2.96Å; D290-S293 PolarHBondContact O-N 3.42Å; D290-S293 PolarHBondContact O-OG 3.41Å |
| 291 | R | 66.4 | Low | 69.6 | Low | 219 Ų | 219 | 114.4 Ų | 114.4 | 83% | 0.826 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.7 | -32.8 | 174.1 | -77.3 | 178.6 | 173 | -133.5 | -0 | 112.7 | G287 L289 S293 | G287-R291 WeakPolarHBondContact O-CB 3.36Å; G287-R291 WeakPolarHBondContact O-CD 3.39Å; G287-R291 VanDerWaalsContact O-CG 3.26Å; G287-R291 WeakPolarHBondContact O-CG 3.45Å; G287-R291 PolarHBondContact O-N 3.47Å; L289-R291 PolarHBondContact O-N 2.98Å; R291-S293 PolarHBondContact O-N 3.43Å |
| 292 | S | 57.7 | Low | 67.5 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.4 | -18.9 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | I288 L289 D290 | I288-S292 PolarHBondContact O-N 2.9Å; I288-S292 VanDerWaalsContact O-N 3.09Å; L289-S292 WeakPolarHBondContact O-CB 3.45Å; L289-S292 PolarHBondContact O-N 2.95Å; L289-S292 VanDerWaalsContact O-N 3.17Å; D290-S292 VanDerWaalsContact C-N 3.3Å; D290-S292 PolarHBondContact O-N 2.96Å |
| 293 | S | 53.7 | Low | 64.7 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -97.3 | -15.5 | -169.2 | 73.2 | 0 | 0 | 0 | 0 | 115.6 | L289 D290 R291 | L289-S293 PolarHBondContact O-N 2.74Å; D290-S293 PolarHBondContact O-N 3.42Å; D290-S293 PolarHBondContact O-OG 3.41Å; R291-S293 PolarHBondContact O-N 3.43Å |
| 294 | K | 58.2 | Low | 61.9 | Low | 199 Ų | 199 | 126.8 Ų | 126.8 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -121.9 | 11 | -165.7 | -139.1 | 158 | -171.4 | 167.8 | 0 | 116.8 | ||
| 295 | G | 46.1 | Very low | 59.2 | Low | 55 Ų | 55 | 125.8 Ų | 125.8 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -164.8 | 120.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 296 | Q | 40.1 | Very low | 56.3 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | 52.3 | 110.5 | 160 | -103.1 | 167.9 | -24.9 | 0 | 0 | 117.8 | A298 | Q296-A298 VanDerWaalsContact C-N 3.34Å; Q296-A298 PolarHBondContact O-N 2.76Å | ||
| 297 | T | 52.4 | Low | 53.3 | Low | 152 Ų | 152 | 128.6 Ų | 128.6 | 93% | 0.933 | 71% | 0.708 | S | S | * | * | trans | -58.4 | 93.3 | 156.4 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 298 | A | 47.1 | Very low | 50.7 | Low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -157.9 | 109.7 | 153 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q296 | Q296-A298 VanDerWaalsContact C-N 3.34Å; Q296-A298 PolarHBondContact O-N 2.76Å |
| 299 | S | 44.1 | Very low | 48 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 73.3 | 78.1 | 167.2 | -156.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 300 | S | 43.3 | Very low | 45.5 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -89.1 | 90.1 | 152.7 | 63 | 0 | 0 | 0 | 0 | 109.6 | ||
| 301 | L | 47 | Very low | 43.6 | Very low | 165 Ų | 165 | 133 Ų | 133 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | 161.8 | 81.1 | 146.4 | -92.5 | 158.4 | 0 | 0 | 0 | 110 | ||||
| 302 | L | 52.6 | Low | 42.1 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -146.6 | 71.1 | 168.1 | -161.2 | 80 | 0 | 0 | 0 | 110.5 | ||||
| 303 | W | 37.4 | Very low | 40.6 | Very low | 194 Ų | 194 | 130 Ų | 130 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | trans | -139 | 75.8 | 149.4 | -81.1 | 100.1 | 0 | 0 | 0 | 108.3 | E306 | W303-E306 HydrophobicContact CE3-CG 4.47Å; W303-E306 HydrophobicContact CH2-CG 3.59Å; W303-E306 WeakPolarHBondContact CH2-OE1 3.49Å; W303-E306 HydrophobicContact CZ3-CB 4.41Å; W303-E306 HydrophobicContact CZ3-CG 3.4Å; W303-E306 VanDerWaalsContact CZ3-CG 3.4Å; W303-E306 WeakPolarHBondContact CZ3-OE2 3.33Å | ||
| 304 | R | 34.2 | Very low | 39.5 | Very low | 207 Ų | 207 | 131.2 Ų | 131.2 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -92 | 125.2 | 131.2 | -141.6 | -174 | -148.4 | -165.7 | 9.7 | 103.6 | ||
| 305 | S | 37.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -48 | 134.4 | -168.8 | -67.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 306 | E | 35.9 | Very low | 38.1 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | trans | -5.3 | 146.7 | 151.6 | -73 | 163.1 | 142.3 | 0 | 0 | 117.9 | W303 | W303-E306 HydrophobicContact CE3-CG 4.47Å; W303-E306 HydrophobicContact CH2-CG 3.59Å; W303-E306 WeakPolarHBondContact CH2-OE1 3.49Å; W303-E306 HydrophobicContact CZ3-CB 4.41Å; W303-E306 HydrophobicContact CZ3-CG 3.4Å; W303-E306 VanDerWaalsContact CZ3-CG 3.4Å; W303-E306 WeakPolarHBondContact CZ3-OE2 3.33Å | ||
| 307 | A | 28.2 | Very low | 37.6 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | cis | -151.7 | 135.5 | 37 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 308 | D | 31.5 | Very low | 36.3 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 15.8 | 144.5 | 131.8 | -69 | -19.3 | 0 | 0 | 0 | 119.1 | ||||
| 309 | A | 32.5 | Very low | 35.5 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -164.7 | 152.8 | 0.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 310 | S | 31.1 | Very low | 34.8 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 156.8 | 137.3 | 82.8 | 169.9 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 311 | A | 39.1 | Very low | 34.2 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -99.4 | 126.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 312 | T | 33.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 85.9 | 96.3 | 150.1 | 24.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 313 | T | 27.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | 115 | 110.5 | 114.2 | -39.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 314 | C | 29.5 | Very low | 31.9 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 70.3 | 105.1 | 145.1 | -68.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 315 | A | 34.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 22.5 | 164.3 | 130 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 316 | P | 39.8 | Very low | 31.7 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -135.7 | -178 | -2.7 | 39.8 | -19.9 | 0 | 0 | 0 | 116.4 | ||||
| 317 | E | 31.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 82.2 | 133.1 | 144.5 | -82.5 | 156.9 | 174.1 | 0 | 0 | 124.8 | ||||
| 318 | D | 25.2 | Very low | 32.1 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 109.1 | 146.6 | -64.5 | -18.8 | 0 | 0 | 0 | 124.6 | ||||
| 319 | C | 29.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | 175 | 103.3 | 121.1 | -91.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 320 | A | 28.2 | Very low | 32.1 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 59.1 | 112 | 80.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 321 | R | 30.6 | Very low | 32.8 | Very low | 248 Ų | 248 | 134.8 Ų | 134.8 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | 101.2 | 112.1 | 143.2 | -167.8 | 174.8 | -69.2 | 178.8 | 1.1 | 119.6 | ||||
| 322 | A | 30.2 | Very low | 32.5 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 120.7 | 111.3 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 323 | M | 30.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | 58.5 | 136 | 140.3 | -69.6 | -161.1 | 164.9 | 0 | 0 | 117.9 | ||||
| 324 | D | 28.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | cis | -167.5 | 160.5 | 19.9 | -157.6 | 1.6 | 0 | 0 | 0 | 108.5 | ||||
| 325 | E | 31.8 | Very low | 33.8 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 51.3 | 124 | 157.2 | -73.3 | 166.8 | -179.2 | 0 | 0 | 118.7 | ||||
| 326 | S | 35.6 | Very low | 34 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | cis | -177.3 | 137.9 | 20.9 | 39.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 327 | I | 37.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 145.9 | 179.5 | -61.9 | 165.2 | 0 | 0 | 0 | 109.2 | ||
| 328 | P | 34.6 | Very low | 34.9 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 125.3 | 147.2 | -0.6 | 20.6 | 0 | 0 | 0 | 111.1 | ||
| 329 | S | 32 | Very low | 35.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.1 | -175.5 | -66 | 0 | 0 | 0 | 0 | 115.5 | ||
| 330 | Y | 33.7 | Very low | 37 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 139.7 | 158.2 | -142.3 | -95.8 | 0 | 0 | 0 | 110.2 | ||
| 331 | P | 44.1 | Very low | 37.9 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 115.4 | 159.6 | 9.3 | 8.5 | 0 | 0 | 0 | 109 | ||||
| 332 | G | 34.2 | Very low | 38.8 | Very low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -81 | 149.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 333 | T | 36.2 | Very low | 39.7 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | 78.9 | 104.6 | 149.4 | 56.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 334 | A | 32.3 | Very low | 40.5 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | -163.6 | 128.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A336 | A334-A336 PolarHBondContact O-N 3.43Š| |||
| 335 | I | 48.5 | Very low | 41.4 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | trans | -68.4 | 113.7 | 171.6 | -64.4 | 164.8 | 0 | 0 | 0 | 107.9 | ||||
| 336 | A | 39.4 | Very low | 42.4 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | -160 | 111.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A334 | A334-A336 PolarHBondContact O-N 3.43Š| ||
| 337 | T | 41.1 | Very low | 43.2 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 47 | 90 | 149.8 | 35.4 | 0 | 0 | 0 | 0 | 117.2 | D339 | T337-D339 PolarHBondContact O-N 3.45Å; T337-D339 VanDerWaalsContact O-N 3.15Å | ||
| 338 | H | 48.6 | Very low | 44.1 | Very low | 171 Ų | 171 | 135 Ų | 135 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -58.4 | 105.8 | 151.4 | -111.2 | -98.6 | 0 | 0 | 0 | 108.8 | ||||
| 339 | D | 46.3 | Very low | 45.2 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -164.5 | 16.7 | 158 | -107.1 | -6 | 0 | 0 | 0 | 115.4 | T337 | T337-D339 PolarHBondContact O-N 3.45Å; T337-D339 VanDerWaalsContact O-N 3.15Å | ||
| 340 | S | 53.3 | Low | 46.6 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -130.7 | 6.1 | -171.7 | -146.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 341 | I | 47.6 | Very low | 47.7 | Very low | 128 Ų | 128 | 123 Ų | 123 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -90.4 | -30.9 | -178 | -57.4 | 176.5 | 0 | 0 | 0 | 111.9 | ||
| 342 | W | 49.1 | Very low | 48.5 | Very low | 230 Ų | 230 | 122.9 Ų | 122.9 | 87% | 0.871 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -13 | -176.7 | -78.1 | 83.9 | 0 | 0 | 0 | 114.8 | ||
| 343 | S | 48.6 | Very low | 49.7 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -6.5 | -175.2 | -169.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 344 | K | 46.9 | Very low | 50.7 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -106.2 | -1 | 179.9 | -90.7 | -162.8 | 171.6 | -168 | 0 | 115.2 | ||
| 345 | V | 48 | Very low | 52 | Low | 100 Ų | 100 | 127.6 Ų | 127.6 | 61% | 0.606 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -84.1 | -12.7 | -176.6 | 172.8 | 0 | 0 | 0 | 0 | 113 | ||
| 346 | T | 53.7 | Low | 52.6 | Low | 117 Ų | 117 | 125.1 Ų | 125.1 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.1 | -20.2 | -174.8 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 347 | E | 52.8 | Low | 53.6 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -89.1 | -41.7 | -177.6 | -163.3 | 167.7 | -167.5 | 0 | 0 | 112.1 | G349 A350 E351 | E347-G349 PolarHBondContact O-N 3.11Å; E347-A350 PolarHBondContact O-N 2.88Å; E347-E351 PolarHBondContact O-N 3.28Å |
| 348 | E | 56.3 | Low | 54.4 | Low | 141 Ų | 141 | 132 Ų | 132 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.3 | -29 | 176.6 | -64.9 | -171.5 | 178.2 | 0 | 0 | 113.1 | A350 E351 L352 | E348-A350 VanDerWaalsContact C-N 3.3Å; E348-A350 PolarHBondContact O-N 3.1Å; E348-E351 PolarHBondContact O-N 3.38Å; E348-L352 WeakPolarHBondContact O-CG 3.48Å; E348-L352 PolarHBondContact O-N 3.34Å |
| 349 | G | 57.4 | Low | 54.5 | Low | 37 Ų | 37 | 127.3 Ų | 127.3 | 38% | 0.381 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.6 | -32.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E347 S353 | E347-G349 PolarHBondContact O-N 3.11Å; G349-S353 PolarHBondContact O-N 3.06Å |
| 350 | A | 60.8 | Low | 54.6 | Low | 51 Ų | 51 | 122.6 Ų | 122.6 | 42% | 0.421 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.1 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E347 E348 S353 Q354 | E347-A350 PolarHBondContact O-N 2.88Å; E348-A350 VanDerWaalsContact C-N 3.3Å; E348-A350 PolarHBondContact O-N 3.1Å; A350-S353 PolarHBondContact O-N 3.04Å; A350-Q354 PolarHBondContact O-N 2.82Å |
| 351 | E | 57.7 | Low | 54.3 | Low | 115 Ų | 115 | 126.7 Ų | 126.7 | 54% | 0.537 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.1 | -35.5 | 175.6 | -68.5 | -171.2 | 172.6 | 0 | 0 | 112.8 | E347 E348 Q354 R355 | E347-E351 PolarHBondContact O-N 3.28Å; E348-E351 PolarHBondContact O-N 3.38Å; E351-Q354 PolarHBondContact O-N 3.45Å; E351-R355 WeakPolarHBondContact O-CB 3.28Å; E351-R355 WeakPolarHBondContact O-CG 3.41Å; E351-R355 PolarHBondContact O-N 3.26Å |
| 352 | L | 59 | Low | 54.6 | Low | 120 Ų | 120 | 125.2 Ų | 125.2 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 172 | -71.8 | 175.2 | 0 | 0 | 0 | 111.7 | E348 R355 L356 | E348-L352 WeakPolarHBondContact O-CG 3.48Å; E348-L352 PolarHBondContact O-N 3.34Å; L352-R355 PolarHBondContact O-N 3.15Å; L352-L356 WeakPolarHBondContact O-CB 3.38Å; L352-L356 PolarHBondContact O-N 3.39Å |
| 353 | S | 59.4 | Low | 54.5 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.4 | -42.6 | 172.3 | -85.7 | 0 | 0 | 0 | 0 | 112.1 | G349 A350 L356 V357 | G349-S353 PolarHBondContact O-N 3.06Å; A350-S353 PolarHBondContact O-N 3.04Å; S353-L356 PolarHBondContact O-N 3.43Å; S353-V357 VanDerWaalsContact O-CG2 3.29Å; S353-V357 WeakPolarHBondContact O-CG2 3.43Å; S353-V357 PolarHBondContact O-N 3.38Å |
| 354 | Q | 58.3 | Low | 54.6 | Low | 146 Ų | 146 | 118.5 Ų | 118.5 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.2 | -38.5 | 174.9 | -82.2 | -172.1 | 23.7 | 0 | 0 | 112.5 | A350 E351 L356 V357 R358 | A350-Q354 PolarHBondContact O-N 2.82Å; E351-Q354 PolarHBondContact O-N 3.45Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-V357 PolarHBondContact O-N 3.47Å; Q354-R358 WeakPolarHBondContact O-CB 3.38Å; Q354-R358 PolarHBondContact O-N 3.23Å |
| 355 | R | 59.8 | Low | 55.1 | Low | 183 Ų | 183 | 116.9 Ų | 116.9 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.7 | -37.6 | 174.6 | -84.9 | -172.3 | -180 | -171.2 | 3.4 | 112 | E351 L352 R358 S359 | E351-R355 WeakPolarHBondContact O-CB 3.28Å; E351-R355 WeakPolarHBondContact O-CG 3.41Å; E351-R355 PolarHBondContact O-N 3.26Å; L352-R355 PolarHBondContact O-N 3.15Å; R355-R358 PolarHBondContact O-N 3.15Å; R355-S359 WeakPolarHBondContact O-CB 3.43Å; R355-S359 PolarHBondContact O-N 3.23Å; R355-S359 PolarHBondContact O-OG 3.37Å; R355-S359 VanDerWaalsContact O-OG 3.04Å |
| 356 | L | 61.2 | Low | 55.8 | Low | 130 Ų | 130 | 114.4 Ų | 114.4 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.9 | -39.5 | 177.6 | -169.1 | 66.4 | 0 | 0 | 0 | 112.1 | L352 S353 Q354 S359 | L352-L356 WeakPolarHBondContact O-CB 3.38Å; L352-L356 PolarHBondContact O-N 3.39Å; S353-L356 PolarHBondContact O-N 3.43Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; L356-S359 PolarHBondContact O-OG 3.01Å |
| 357 | V | 59.9 | Low | 56.4 | Low | 130 Ų | 130 | 113.2 Ų | 113.2 | 79% | 0.788 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.1 | -30.2 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | S353 Q354 | S353-V357 VanDerWaalsContact O-CG2 3.29Å; S353-V357 WeakPolarHBondContact O-CG2 3.43Å; S353-V357 PolarHBondContact O-N 3.38Å; Q354-V357 PolarHBondContact O-N 3.47Å |
| 358 | R | 57.7 | Low | 57.2 | Low | 229 Ų | 229 | 110.4 Ų | 110.4 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.3 | -28.1 | 178.2 | -167.7 | 82.7 | 164.5 | 151.4 | 0.4 | 112.8 | Q354 R355 G360 | Q354-R358 WeakPolarHBondContact O-CB 3.38Å; Q354-R358 PolarHBondContact O-N 3.23Å; R355-R358 PolarHBondContact O-N 3.15Å; R358-G360 VanDerWaalsContact C-N 3.31Å; R358-G360 PolarHBondContact O-N 3.08Å |
| 359 | S | 50.2 | Low | 57.9 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -77 | 85.8 | 170.9 | 66.6 | 0 | 0 | 0 | 0 | 108.2 | R355 L356 F361 | R355-S359 WeakPolarHBondContact O-CB 3.43Å; R355-S359 PolarHBondContact O-N 3.23Å; R355-S359 PolarHBondContact O-OG 3.37Å; R355-S359 VanDerWaalsContact O-OG 3.04Å; L356-S359 PolarHBondContact O-OG 3.01Å; S359-F361 PolarHBondContact O-N 2.68Å |
| 360 | G | 48.5 | Very low | 58.9 | Low | 59 Ų | 59 | 112.7 Ų | 112.7 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | trans | -41.3 | 113.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R358 A362 | R358-G360 VanDerWaalsContact C-N 3.31Å; R358-G360 PolarHBondContact O-N 3.08Å; G360-A362 PolarHBondContact O-N 2.99Å | ||
| 361 | F | 47.1 | Very low | 60 | Low | 183 Ų | 183 | 115.4 Ų | 115.4 | 80% | 0.803 | 63% | 0.634 | S | S | * | * | trans | -71.3 | 58.8 | 155.7 | -152.5 | -94.4 | 0 | 0 | 0 | 108.4 | S359 I366 | S359-F361 PolarHBondContact O-N 2.68Å; F361-I366 HydrophobicContact CE1-CD1 3.84Å; F361-I366 HydrophobicContact CE2-CD1 4.23Å; F361-I366 HydrophobicContact CZ-CD1 3.29Å; F361-I366 HydrophobicContact CZ-CG1 4.32Å | ||
| 362 | A | 54.5 | Low | 61.1 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -127.5 | 69.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | G360 | G360-A362 PolarHBondContact O-N 2.99Š| ||
| 363 | G | 47.1 | Very low | 62.5 | Low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 133.7 | 147.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 364 | P | 49.5 | Very low | 64 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | S | Bend | cis | -78.3 | 161 | -23 | 16 | 1.9 | 0 | 0 | 0 | 110 | I366 | P364-I366 PolarHBondContact O-N 3.07Š|
| 365 | V | 58.3 | Low | 65.5 | Low | 141 Ų | 141 | 115 Ų | 115 | 86% | 0.855 | 63% | 0.627 | S | S | * | * | trans | -45.2 | 116 | 166 | 174.5 | 0 | 0 | 0 | 0 | 107.6 | D367 | V365-D367 PolarHBondContact O-N 3.45Å; V365-D367 VanDerWaalsContact O-N 3.12Å | ||
| 366 | I | 62.1 | Low | 67.1 | Low | 48 Ų | 48 | 109.9 Ų | 109.9 | 25% | 0.246 | 61% | 0.613 | C | S | . | * | trans | -61.3 | 120.7 | 172.9 | -66.8 | 179.3 | 0 | 0 | 0 | 105 | F361 P364 N370 E371 | F361-I366 HydrophobicContact CE1-CD1 3.84Å; F361-I366 HydrophobicContact CE2-CD1 4.23Å; F361-I366 HydrophobicContact CZ-CD1 3.29Å; F361-I366 HydrophobicContact CZ-CG1 4.32Å; P364-I366 PolarHBondContact O-N 3.07Å; I366-N370 HydrophobicContact CG2-CB 3.93Å; I366-E371 HydrophobicContact CG2-CB 3.91Å | ||
| 367 | D | 66.7 | Low | 68.7 | Low | 91 Ų | 91 | 107.5 Ų | 107.5 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | trans | -51.4 | 128.5 | 173.4 | -177.8 | 33.8 | 0 | 0 | 0 | 108.4 | V365 E369 N370 E371 | V365-D367 PolarHBondContact O-N 3.45Å; V365-D367 VanDerWaalsContact O-N 3.12Å; D367-E369 PolarHBondContact O-N 3.27Å; D367-N370 PolarHBondContact O-N 2.89Å; D367-E371 PolarHBondContact O-N 3.34Å | ||
| 368 | P | 69.9 | Low | 70.3 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -49.9 | -31.3 | -175.1 | 14.6 | -32 | 0 | 0 | 0 | 113.9 | E371 E372 | P368-E371 PolarHBondContact O-N 3.48Å; P368-E372 PolarHBondContact O-N 2.84Å |
| 369 | E | 71 | Confident | 72.2 | Confident | 146 Ų | 146 | 96.4 Ų | 96.4 | 68% | 0.682 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.3 | -35.3 | 175.2 | -69 | -176.3 | 168.1 | 0 | 0 | 113.4 | D367 L373 | D367-E369 PolarHBondContact O-N 3.27Å; E369-L373 WeakPolarHBondContact O-CB 3.37Å; E369-L373 PolarHBondContact O-N 3.39Å |
| 370 | N | 78.4 | Confident | 74.4 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 42% | 0.422 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.7 | -28.3 | 177.5 | -172.6 | 58.9 | 0 | 0 | 0 | 112.2 | I366 D367 M374 | I366-N370 HydrophobicContact CG2-CB 3.93Å; D367-N370 PolarHBondContact O-N 2.89Å; N370-M374 WeakPolarHBondContact O-CB 3.39Å; N370-M374 PolarHBondContact O-N 2.84Å; N370-M374 VanDerWaalsContact O-N 3.1Å |
| 371 | E | 82.9 | Confident | 76.7 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69 | -45 | 171.3 | -171.5 | 171.1 | -170.8 | 0 | 0 | 111 | I366 D367 P368 L373 M374 L375 | I366-E371 HydrophobicContact CG2-CB 3.91Å; D367-E371 PolarHBondContact O-N 3.34Å; P368-E371 PolarHBondContact O-N 3.48Å; E371-L373 PolarHBondContact O-N 3.31Å; E371-M374 PolarHBondContact O-N 3.39Å; E371-L375 HydrophobicContact CG-CD1 4.3Å; E371-L375 WeakPolarHBondContact O-CG 3.49Å; E371-L375 PolarHBondContact O-N 3.44Å |
| 372 | E | 82.3 | Confident | 79.1 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.6 | -43.1 | 175 | -171.9 | -178.7 | 170.3 | 0 | 0 | 112 | P368 M374 L375 N376 | P368-E372 PolarHBondContact O-N 2.84Å; E372-M374 VanDerWaalsContact C-N 3.34Å; E372-M374 PolarHBondContact O-N 2.87Å; E372-L375 PolarHBondContact O-N 3.35Å; E372-N376 WeakPolarHBondContact O-CB 3.39Å; E372-N376 PolarHBondContact O-N 3.22Å |
| 373 | L | 87 | Confident | 81.1 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.5 | -179 | 65.7 | 0 | 0 | 0 | 111.7 | E369 E371 N376 I377 | E369-L373 WeakPolarHBondContact O-CB 3.37Å; E369-L373 PolarHBondContact O-N 3.39Å; E371-L373 PolarHBondContact O-N 3.31Å; L373-N376 PolarHBondContact O-N 2.95Å; L373-I377 HydrophobicContact CD1-CD1 4.13Å; L373-I377 HydrophobicContact CD1-CG1 4.41Å; L373-I377 HydrophobicContact CG-CD1 3.9Å; L373-I377 WeakPolarHBondContact O-CB 3.28Å; L373-I377 VanDerWaalsContact O-CG1 3.24Å; L373-I377 WeakPolarHBondContact O-CG1 3.4Å; L373-I377 PolarHBondContact O-N 2.78Å |
| 374 | M | 90.7 | Very high | 83.4 | Confident | 100 Ų | 100 | 96 Ų | 96 | 49% | 0.493 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 178.5 | -168.7 | -176.7 | -52.9 | 0 | 0 | 111.7 | N370 E371 E372 I377 S378 | N370-M374 WeakPolarHBondContact O-CB 3.39Å; N370-M374 PolarHBondContact O-N 2.84Å; N370-M374 VanDerWaalsContact O-N 3.1Å; E371-M374 PolarHBondContact O-N 3.39Å; E372-M374 VanDerWaalsContact C-N 3.34Å; E372-M374 PolarHBondContact O-N 2.87Å; M374-I377 PolarHBondContact O-N 2.93Å; M374-S378 VanDerWaalsContact O-CB 3.28Å; M374-S378 WeakPolarHBondContact O-CB 3.5Å; M374-S378 PolarHBondContact O-N 2.96Å; M374-S378 PolarHBondContact O-OG 2.89Å |
| 375 | L | 90.9 | Very high | 85.7 | Confident | 112 Ų | 112 | 94.3 Ų | 94.3 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -38.8 | 174.7 | -70.1 | 172.2 | 0 | 0 | 0 | 111.7 | E371 E372 S378 S379 | E371-L375 HydrophobicContact CG-CD1 4.3Å; E371-L375 WeakPolarHBondContact O-CG 3.49Å; E371-L375 PolarHBondContact O-N 3.44Å; E372-L375 PolarHBondContact O-N 3.35Å; L375-S378 PolarHBondContact O-N 3.4Å; L375-S379 WeakPolarHBondContact O-CB 3.5Å; L375-S379 PolarHBondContact O-N 3.22Å; L375-S379 PolarHBondContact O-OG 3.48Å |
| 376 | N | 94.3 | Very high | 87.6 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 40% | 0.401 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.4 | -171 | -82.1 | 0 | 0 | 0 | 112.2 | E372 L373 S378 S379 R380 | E372-N376 WeakPolarHBondContact O-CB 3.39Å; E372-N376 PolarHBondContact O-N 3.22Å; L373-N376 PolarHBondContact O-N 2.95Å; N376-S378 VanDerWaalsContact C-N 3.33Å; N376-S379 PolarHBondContact O-OG 3.41Å; N376-R380 WeakPolarHBondContact O-CB 3.44Å; N376-R380 WeakPolarHBondContact O-CG 3.39Å; N376-R380 PolarHBondContact O-N 3.35Å; N376-R380 WeakPolarHBondContact OD1-CD 3.5Å |
| 377 | I | 94.3 | Very high | 89.2 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.9 | -69.4 | 166.7 | 0 | 0 | 0 | 109.7 | L373 M374 R380 L381 | L373-I377 HydrophobicContact CD1-CD1 4.13Å; L373-I377 HydrophobicContact CD1-CG1 4.41Å; L373-I377 HydrophobicContact CG-CD1 3.9Å; L373-I377 WeakPolarHBondContact O-CB 3.28Å; L373-I377 VanDerWaalsContact O-CG1 3.24Å; L373-I377 WeakPolarHBondContact O-CG1 3.4Å; L373-I377 PolarHBondContact O-N 2.78Å; M374-I377 PolarHBondContact O-N 2.93Å; I377-R380 PolarHBondContact O-N 2.87Å; I377-L381 HydrophobicContact CG2-CD1 3.84Å; I377-L381 HydrophobicContact CG2-CG 4.39Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.38Å; I377-L381 PolarHBondContact O-N 2.96Å |
| 378 | S | 93.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | -179.8 | -58.9 | 0 | 0 | 0 | 0 | 112 | M374 L375 N376 R380 L381 Q382 | M374-S378 VanDerWaalsContact O-CB 3.28Å; M374-S378 WeakPolarHBondContact O-CB 3.5Å; M374-S378 PolarHBondContact O-N 2.96Å; M374-S378 PolarHBondContact O-OG 2.89Å; L375-S378 PolarHBondContact O-N 3.4Å; N376-S378 VanDerWaalsContact C-N 3.33Å; S378-R380 PolarHBondContact O-N 2.99Å; S378-L381 PolarHBondContact O-N 3.28Å; S378-Q382 WeakPolarHBondContact O-CB 3.47Å; S378-Q382 PolarHBondContact O-N 3.19Å |
| 379 | S | 95.9 | Very high | 92.1 | Very high | 64 Ų | 64 | 99.6 Ų | 99.6 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.8 | 69 | 0 | 0 | 0 | 0 | 112.1 | L375 N376 Q382 A383 | L375-S379 WeakPolarHBondContact O-CB 3.5Å; L375-S379 PolarHBondContact O-N 3.22Å; L375-S379 PolarHBondContact O-OG 3.48Å; N376-S379 PolarHBondContact O-OG 3.41Å; S379-Q382 PolarHBondContact O-N 3.49Å; S379-A383 WeakPolarHBondContact O-CB 3.44Å; S379-A383 PolarHBondContact O-N 3.3Å |
| 380 | R | 96.4 | Very high | 93.3 | Very high | 141 Ų | 141 | 98.8 Ų | 98.8 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.3 | -73.6 | 174.7 | 60.7 | -171.4 | -6.1 | 112.5 | N376 I377 S378 A384 | N376-R380 WeakPolarHBondContact O-CB 3.44Å; N376-R380 WeakPolarHBondContact O-CG 3.39Å; N376-R380 PolarHBondContact O-N 3.35Å; N376-R380 WeakPolarHBondContact OD1-CD 3.5Å; I377-R380 PolarHBondContact O-N 2.87Å; S378-R380 PolarHBondContact O-N 2.99Å; R380-A384 WeakPolarHBondContact O-CB 3.39Å; R380-A384 PolarHBondContact O-N 3.19Å |
| 381 | L | 97.4 | Very high | 94.2 | Very high | 109 Ų | 109 | 97.2 Ų | 97.2 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 174.3 | -77.6 | 171.4 | 0 | 0 | 0 | 110.8 | I377 S378 A384 V385 | I377-L381 HydrophobicContact CG2-CD1 3.84Å; I377-L381 HydrophobicContact CG2-CG 4.39Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.38Å; I377-L381 PolarHBondContact O-N 2.96Å; S378-L381 PolarHBondContact O-N 3.28Å; L381-A384 PolarHBondContact O-N 3.41Å; L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.31Å |
| 382 | Q | 97.2 | Very high | 94.9 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -48.5 | 176.7 | -177.8 | 169.8 | -14.2 | 0 | 0 | 111.7 | S378 S379 A384 V385 E386 | S378-Q382 WeakPolarHBondContact O-CB 3.47Å; S378-Q382 PolarHBondContact O-N 3.19Å; S379-Q382 PolarHBondContact O-N 3.49Å; Q382-A384 VanDerWaalsContact C-N 3.28Å; Q382-A384 PolarHBondContact O-N 3.07Å; Q382-V385 PolarHBondContact O-N 3.05Å; Q382-V385 VanDerWaalsContact O-N 3.16Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.42Å; Q382-E386 PolarHBondContact NE2-OE1 2.85Å; Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.18Å |
| 383 | A | 96.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 93.6 Ų | 93.6 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S379 K387 | S379-A383 WeakPolarHBondContact O-CB 3.44Å; S379-A383 PolarHBondContact O-N 3.3Å; A383-K387 WeakPolarHBondContact O-CB 3.37Å; A383-K387 WeakPolarHBondContact O-CG 3.36Å; A383-K387 PolarHBondContact O-N 3.43Å |
| 384 | A | 95.8 | Very high | 96 | Very high | 49 Ų | 49 | 94.2 Ų | 94.2 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R380 L381 Q382 K387 L388 | R380-A384 WeakPolarHBondContact O-CB 3.39Å; R380-A384 PolarHBondContact O-N 3.19Å; L381-A384 PolarHBondContact O-N 3.41Å; Q382-A384 VanDerWaalsContact C-N 3.28Å; Q382-A384 PolarHBondContact O-N 3.07Å; A384-K387 PolarHBondContact O-N 2.74Å; A384-L388 WeakPolarHBondContact O-CG 3.45Å; A384-L388 PolarHBondContact O-N 3.34Å |
| 385 | V | 97.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 93.4 Ų | 93.4 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L381 Q382 K387 L388 L389 | L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.31Å; Q382-V385 PolarHBondContact O-N 3.05Å; Q382-V385 VanDerWaalsContact O-N 3.16Å; V385-K387 PolarHBondContact O-N 3.43Å; V385-L388 PolarHBondContact O-N 2.77Å; V385-L389 HydrophobicContact CG1-CD1 4.16Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 2.94Å |
| 386 | E | 96.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 176.2 | -75.4 | 171.4 | -169.9 | 0 | 0 | 111.2 | Q382 L388 L389 E390 | Q382-E386 WeakPolarHBondContact CG-OE1 3.42Å; Q382-E386 PolarHBondContact NE2-OE1 2.85Å; Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.18Å; E386-L388 VanDerWaalsContact C-N 3.34Å; E386-L388 PolarHBondContact O-N 2.84Å; E386-L389 PolarHBondContact O-N 3.27Å; E386-E390 WeakPolarHBondContact O-CB 3.36Å; E386-E390 PolarHBondContact O-N 3.46Å |
| 387 | K | 97.5 | Very high | 96.8 | Very high | 150 Ų | 150 | 93.1 Ų | 93.1 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -37 | 175.5 | -81 | -170.9 | 174.4 | -173.4 | 0 | 113.8 | A383 A384 V385 E390 A391 | A383-K387 WeakPolarHBondContact O-CB 3.37Å; A383-K387 WeakPolarHBondContact O-CG 3.36Å; A383-K387 PolarHBondContact O-N 3.43Å; A384-K387 PolarHBondContact O-N 2.74Å; V385-K387 PolarHBondContact O-N 3.43Å; K387-E390 PolarHBondContact O-N 2.87Å; K387-A391 WeakPolarHBondContact O-CB 3.33Å; K387-A391 PolarHBondContact O-N 3.41Å |
| 388 | L | 97.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -40.8 | 176.3 | -76.5 | 171.2 | 0 | 0 | 0 | 111.3 | A384 V385 E386 E390 A391 I392 | A384-L388 WeakPolarHBondContact O-CG 3.45Å; A384-L388 PolarHBondContact O-N 3.34Å; V385-L388 PolarHBondContact O-N 2.77Å; E386-L388 VanDerWaalsContact C-N 3.34Å; E386-L388 PolarHBondContact O-N 2.84Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-A391 PolarHBondContact O-N 3.45Å; L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CD1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.41Å; L388-I392 PolarHBondContact O-N 2.83Å |
| 389 | L | 97.9 | Very high | 97.1 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 175.9 | -71.6 | 174.2 | 0 | 0 | 0 | 112 | V385 E386 I392 S393 | V385-L389 HydrophobicContact CG1-CD1 4.16Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 2.94Å; E386-L389 PolarHBondContact O-N 3.27Å; L389-I392 PolarHBondContact O-N 2.77Å; L389-S393 WeakPolarHBondContact O-CB 3.35Å; L389-S393 PolarHBondContact O-N 2.98Å; L389-S393 PolarHBondContact O-OG 3.47Å |
| 390 | E | 97.3 | Very high | 97.1 | Very high | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 173.5 | -170.5 | 172 | -154.5 | 0 | 0 | 111.7 | E386 K387 L388 I392 S393 E394 | E386-E390 WeakPolarHBondContact O-CB 3.36Å; E386-E390 PolarHBondContact O-N 3.46Å; K387-E390 PolarHBondContact O-N 2.87Å; L388-E390 VanDerWaalsContact C-N 3.34Å; E390-I392 VanDerWaalsContact C-N 3.34Å; E390-I392 PolarHBondContact O-N 2.59Å; E390-S393 PolarHBondContact O-N 2.92Å; E390-S393 PolarHBondContact O-OG 3.28Å; E390-E394 WeakPolarHBondContact O-CB 3.47Å; E390-E394 PolarHBondContact O-N 2.98Å |
| 391 | A | 97.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 96.6 Ų | 96.6 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K387 L388 T395 | K387-A391 WeakPolarHBondContact O-CB 3.33Å; K387-A391 PolarHBondContact O-N 3.41Å; L388-A391 PolarHBondContact O-N 3.45Å; A391-T395 WeakPolarHBondContact O-CB 3.5Å; A391-T395 VanDerWaalsContact O-CG2 3.25Å; A391-T395 WeakPolarHBondContact O-CG2 3.42Å; A391-T395 PolarHBondContact O-N 3.36Å; A391-T395 PolarHBondContact O-OG1 3.31Å |
| 392 | I | 96.6 | Very high | 97.1 | Very high | 106 Ų | 106 | 94 Ų | 94 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.1 | -70.6 | 164.9 | 0 | 0 | 0 | 110.6 | L388 L389 E390 T395 N396 | L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CD1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.41Å; L388-I392 PolarHBondContact O-N 2.83Å; L389-I392 PolarHBondContact O-N 2.77Å; E390-I392 VanDerWaalsContact C-N 3.34Å; E390-I392 PolarHBondContact O-N 2.59Å; I392-T395 WeakPolarHBondContact CA-OG1 3.32Å; I392-T395 PolarHBondContact O-OG1 3.32Å; I392-N396 VanDerWaalsContact O-CB 3.29Å; I392-N396 WeakPolarHBondContact O-CB 3.4Å; I392-N396 PolarHBondContact O-N 3.35Å |
| 393 | S | 96.5 | Very high | 97.1 | Very high | 65 Ų | 65 | 92.5 Ų | 92.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 178.7 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | L389 E390 N396 T397 | L389-S393 WeakPolarHBondContact O-CB 3.35Å; L389-S393 PolarHBondContact O-N 2.98Å; L389-S393 PolarHBondContact O-OG 3.47Å; E390-S393 PolarHBondContact O-N 2.92Å; E390-S393 PolarHBondContact O-OG 3.28Å; S393-N396 PolarHBondContact O-N 3.38Å; S393-T397 WeakPolarHBondContact O-CG2 3.5Å; S393-T397 PolarHBondContact O-N 2.91Å |
| 394 | E | 97.5 | Very high | 97.1 | Very high | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.4 | -176.7 | 168.7 | -158.7 | 0 | 0 | 112.5 | E390 N396 T397 Q398 | E390-E394 WeakPolarHBondContact O-CB 3.47Å; E390-E394 PolarHBondContact O-N 2.98Å; E394-N396 VanDerWaalsContact C-N 3.27Å; E394-N396 PolarHBondContact O-N 2.96Å; E394-T397 WeakPolarHBondContact CA-OG1 3.44Å; E394-T397 PolarHBondContact O-N 3.18Å; E394-T397 PolarHBondContact O-OG1 3.15Å; E394-Q398 WeakPolarHBondContact O-CB 3.28Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.29Å; E394-Q398 PolarHBondContact O-N 3.41Å |
| 395 | T | 97.5 | Very high | 97.2 | Very high | 83 Ų | 83 | 93.8 Ų | 93.8 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | A391 I392 L399 | A391-T395 WeakPolarHBondContact O-CB 3.5Å; A391-T395 VanDerWaalsContact O-CG2 3.25Å; A391-T395 WeakPolarHBondContact O-CG2 3.42Å; A391-T395 PolarHBondContact O-N 3.36Å; A391-T395 PolarHBondContact O-OG1 3.31Å; I392-T395 WeakPolarHBondContact CA-OG1 3.32Å; I392-T395 PolarHBondContact O-OG1 3.32Å; T395-L399 WeakPolarHBondContact O-CB 3.39Å; T395-L399 PolarHBondContact O-N 3.45Å |
| 396 | N | 96.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 95.7 Ų | 95.7 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.2 | -168.5 | 49.3 | 0 | 0 | 0 | 112.2 | I392 S393 E394 L399 E400 | I392-N396 VanDerWaalsContact O-CB 3.29Å; I392-N396 WeakPolarHBondContact O-CB 3.4Å; I392-N396 PolarHBondContact O-N 3.35Å; S393-N396 PolarHBondContact O-N 3.38Å; E394-N396 VanDerWaalsContact C-N 3.27Å; E394-N396 PolarHBondContact O-N 2.96Å; N396-L399 PolarHBondContact O-N 3.43Å; N396-E400 WeakPolarHBondContact O-CG 3.48Å; N396-E400 PolarHBondContact O-N 3.28Å |
| 397 | T | 97 | Very high | 97.1 | Very high | 91 Ų | 91 | 93.4 Ų | 93.4 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 175.1 | 57 | 0 | 0 | 0 | 0 | 111.7 | S393 E394 L399 E400 H401 | S393-T397 WeakPolarHBondContact O-CG2 3.5Å; S393-T397 PolarHBondContact O-N 2.91Å; E394-T397 WeakPolarHBondContact CA-OG1 3.44Å; E394-T397 PolarHBondContact O-N 3.18Å; E394-T397 PolarHBondContact O-OG1 3.15Å; T397-L399 VanDerWaalsContact C-N 3.33Å; T397-L399 PolarHBondContact O-N 2.9Å; T397-E400 PolarHBondContact O-N 3.03Å; T397-H401 PolarHBondContact O-N 3.41Å |
| 398 | Q | 97.6 | Very high | 96.9 | Very high | 112 Ų | 112 | 91.5 Ų | 91.5 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.5 | -71.9 | 176.2 | 13.9 | 0 | 0 | 111.9 | E394 H401 A402 | E394-Q398 WeakPolarHBondContact O-CB 3.28Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.29Å; E394-Q398 PolarHBondContact O-N 3.41Å; Q398-H401 PolarHBondContact O-N 3.49Å; Q398-A402 WeakPolarHBondContact O-CB 3.4Å; Q398-A402 PolarHBondContact O-N 2.89Å |
| 399 | L | 96.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 91.7 Ų | 91.7 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.4 | 178.1 | 63.5 | 0 | 0 | 0 | 111.8 | T395 N396 T397 A402 K403 | T395-L399 WeakPolarHBondContact O-CB 3.39Å; T395-L399 PolarHBondContact O-N 3.45Å; N396-L399 PolarHBondContact O-N 3.43Å; T397-L399 VanDerWaalsContact C-N 3.33Å; T397-L399 PolarHBondContact O-N 2.9Å; L399-A402 PolarHBondContact O-N 2.85Å; L399-K403 WeakPolarHBondContact O-CG 3.49Å; L399-K403 PolarHBondContact O-N 2.9Å |
| 400 | E | 96.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 92.7 Ų | 92.7 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.3 | -70.4 | -54.2 | 135.1 | 0 | 0 | 111.8 | N396 T397 A402 K403 V404 | N396-E400 WeakPolarHBondContact O-CG 3.48Å; N396-E400 PolarHBondContact O-N 3.28Å; T397-E400 PolarHBondContact O-N 3.03Å; E400-A402 PolarHBondContact O-N 3.29Å; E400-K403 PolarHBondContact O-N 3.2Å; E400-K403 IonicContact OE1-NZ 2.86Å; E400-K403 PolarHBondContact OE1-NZ 2.79Å; E400-V404 WeakPolarHBondContact O-CG2 3.3Å; E400-V404 PolarHBondContact O-N 2.93Å |
| 401 | H | 97.7 | Very high | 96.7 | Very high | 132 Ų | 132 | 94.4 Ų | 94.4 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.3 | -46.7 | 173.4 | -176.6 | -81.2 | 0 | 0 | 0 | 111.7 | T397 Q398 K403 V404 T405 | T397-H401 PolarHBondContact O-N 3.41Å; Q398-H401 PolarHBondContact O-N 3.49Å; H401-K403 VanDerWaalsContact C-N 3.32Å; H401-K403 PolarHBondContact O-N 2.61Å; H401-V404 PolarHBondContact O-N 3.01Å; H401-V404 VanDerWaalsContact O-N 3.16Å; H401-T405 PolarHBondContact CE1-OG1 3.31Å; H401-T405 PolarHBondContact O-N 3.48Å; H401-T405 PolarHBondContact O-OG1 2.95Å; H401-T405 VanDerWaalsContact O-OG1 3.05Å |
| 402 | A | 96.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 95.4 Ų | 95.4 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q398 L399 E400 Q406 | Q398-A402 WeakPolarHBondContact O-CB 3.4Å; Q398-A402 PolarHBondContact O-N 2.89Å; L399-A402 PolarHBondContact O-N 2.85Å; E400-A402 PolarHBondContact O-N 3.29Å; A402-Q406 WeakPolarHBondContact O-CB 3.44Å; A402-Q406 PolarHBondContact O-N 3.46Å |
| 403 | K | 97.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 92.9 Ų | 92.9 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 173.5 | -72.9 | 173.6 | -173 | 166.3 | 0 | 111.4 | L399 E400 H401 Q406 T407 | L399-K403 WeakPolarHBondContact O-CG 3.49Å; L399-K403 PolarHBondContact O-N 2.9Å; E400-K403 PolarHBondContact O-N 3.2Å; E400-K403 IonicContact OE1-NZ 2.86Å; E400-K403 PolarHBondContact OE1-NZ 2.79Å; H401-K403 VanDerWaalsContact C-N 3.32Å; H401-K403 PolarHBondContact O-N 2.61Å; K403-Q406 WeakPolarHBondContact O-CB 3.37Å; K403-Q406 PolarHBondContact O-N 3.08Å; K403-T407 WeakPolarHBondContact O-CG2 3.48Å; K403-T407 PolarHBondContact O-N 2.86Å |
| 404 | V | 97.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.2 | E400 H401 Q406 T407 E408 | E400-V404 WeakPolarHBondContact O-CG2 3.3Å; E400-V404 PolarHBondContact O-N 2.93Å; H401-V404 PolarHBondContact O-N 3.01Å; H401-V404 VanDerWaalsContact O-N 3.16Å; V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.25Å; V404-T407 PolarHBondContact O-N 2.89Å; V404-T407 PolarHBondContact O-OG1 3.3Å; V404-E408 PolarHBondContact O-N 3.11Å |
| 405 | T | 96.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 97.4 Ų | 97.4 | 31% | 0.307 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 177.7 | -53 | 0 | 0 | 0 | 0 | 111.9 | H401 T407 E408 L409 | H401-T405 PolarHBondContact CE1-OG1 3.31Å; H401-T405 PolarHBondContact O-N 3.48Å; H401-T405 PolarHBondContact O-OG1 2.95Å; H401-T405 VanDerWaalsContact O-OG1 3.05Å; T405-T407 VanDerWaalsContact C-N 3.34Å; T405-T407 PolarHBondContact O-N 3.03Å; T405-E408 PolarHBondContact O-N 3.4Å; T405-L409 HydrophobicContact CG2-CD1 4.27Å; T405-L409 HydrophobicContact CG2-CG 4.45Å; T405-L409 WeakPolarHBondContact O-CG 3.44Å; T405-L409 PolarHBondContact O-N 3.44Å |
| 406 | Q | 96.5 | Very high | 95.8 | Very high | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 175.7 | -176 | -176.7 | 24.4 | 0 | 0 | 111.4 | A402 K403 V404 E408 L409 M410 | A402-Q406 WeakPolarHBondContact O-CB 3.44Å; A402-Q406 PolarHBondContact O-N 3.46Å; K403-Q406 WeakPolarHBondContact O-CB 3.37Å; K403-Q406 PolarHBondContact O-N 3.08Å; V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.25Å; Q406-E408 VanDerWaalsContact C-N 3.33Å; Q406-E408 PolarHBondContact O-N 3.44Å; Q406-L409 PolarHBondContact O-N 3.02Å; Q406-M410 WeakPolarHBondContact O-CG 3.43Å; Q406-M410 PolarHBondContact O-N 3.31Å |
| 407 | T | 95.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 101.3 Ų | 101.3 | 36% | 0.362 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -34.8 | 179.3 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | K403 V404 T405 M410 R411 | K403-T407 WeakPolarHBondContact O-CG2 3.48Å; K403-T407 PolarHBondContact O-N 2.86Å; V404-T407 PolarHBondContact O-N 2.89Å; V404-T407 PolarHBondContact O-OG1 3.3Å; T405-T407 VanDerWaalsContact C-N 3.34Å; T405-T407 PolarHBondContact O-N 3.03Å; T407-M410 PolarHBondContact O-N 3.45Å; T407-R411 WeakPolarHBondContact O-CG 3.46Å; T407-R411 PolarHBondContact O-N 3.35Å |
| 408 | E | 94.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 101.4 Ų | 101.4 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 174.8 | -73.3 | -179.9 | 168.3 | 0 | 0 | 111.8 | V404 T405 Q406 M410 R411 E412 | V404-E408 PolarHBondContact O-N 3.11Å; T405-E408 PolarHBondContact O-N 3.4Å; Q406-E408 VanDerWaalsContact C-N 3.33Å; Q406-E408 PolarHBondContact O-N 3.44Å; E408-M410 VanDerWaalsContact C-N 3.27Å; E408-M410 PolarHBondContact O-N 3Å; E408-R411 PolarHBondContact O-N 3.04Å; E408-R411 VanDerWaalsContact O-N 3.12Å; E408-E412 WeakPolarHBondContact O-CB 3.39Å; E408-E412 PolarHBondContact O-N 3.34Å |
| 409 | L | 95.7 | Very high | 95.2 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.2 | -37.4 | 175.1 | -71.1 | 176.4 | 0 | 0 | 0 | 112.1 | T405 Q406 E412 S413 | T405-L409 HydrophobicContact CG2-CD1 4.27Å; T405-L409 HydrophobicContact CG2-CG 4.45Å; T405-L409 WeakPolarHBondContact O-CG 3.44Å; T405-L409 PolarHBondContact O-N 3.44Å; Q406-L409 PolarHBondContact O-N 3.02Å; L409-E412 PolarHBondContact O-N 3.37Å; L409-S413 VanDerWaalsContact O-CB 3.28Å; L409-S413 WeakPolarHBondContact O-CB 3.41Å; L409-S413 PolarHBondContact O-N 2.96Å |
| 410 | M | 96.4 | Very high | 94.8 | Very high | 131 Ų | 131 | 98.9 Ų | 98.9 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65 | -43 | 174.2 | -74.7 | -174.3 | 71.3 | 0 | 0 | 112.3 | Q406 T407 E408 F414 | Q406-M410 WeakPolarHBondContact O-CG 3.43Å; Q406-M410 PolarHBondContact O-N 3.31Å; T407-M410 PolarHBondContact O-N 3.45Å; E408-M410 VanDerWaalsContact C-N 3.27Å; E408-M410 PolarHBondContact O-N 3Å; M410-F414 PolarHBondContact O-N 2.92Å; M410-F414 VanDerWaalsContact O-N 3.1Å |
| 411 | R | 95.1 | Very high | 94.4 | Very high | 163 Ų | 163 | 98.9 Ų | 98.9 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175.5 | -72.6 | -179.8 | -171.8 | 115.2 | -0.2 | 111.4 | T407 E408 F414 R415 | T407-R411 WeakPolarHBondContact O-CG 3.46Å; T407-R411 PolarHBondContact O-N 3.35Å; E408-R411 PolarHBondContact O-N 3.04Å; E408-R411 VanDerWaalsContact O-N 3.12Å; R411-F414 WeakPolarHBondContact O-CB 3.27Å; R411-F414 PolarHBondContact O-N 3.38Å; R411-R415 PolarHBondContact O-N 3.43Å |
| 412 | E | 94.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 97.3 Ų | 97.3 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 179.8 | -163.8 | 56 | -144.3 | 0 | 0 | 111.8 | E408 L409 F414 R415 Q416 | E408-E412 WeakPolarHBondContact O-CB 3.39Å; E408-E412 PolarHBondContact O-N 3.34Å; L409-E412 PolarHBondContact O-N 3.37Å; E412-F414 VanDerWaalsContact C-N 3.29Å; E412-F414 PolarHBondContact O-N 3.48Å; E412-R415 WeakPolarHBondContact O-CB 3.5Å; E412-R415 PolarHBondContact O-N 2.9Å; E412-R415 IonicContact OE1-NE 3.2Å; E412-R415 PolarHBondContact OE1-NE 3.07Å; E412-R415 IonicContact OE2-CZ 2.61Å; E412-R415 VanDerWaalsContact OE2-CZ 3.22Å; E412-R415 IonicContact OE2-NE 2.79Å; E412-R415 PolarHBondContact OE2-NE 2.92Å; E412-R415 IonicContact OE2-NH2 3.35Å; E412-R415 PolarHBondContact OE2-NH2 3.45Å; E412-Q416 WeakPolarHBondContact O-CB 3.23Å; E412-Q416 WeakPolarHBondContact O-CG 3.48Å; E412-Q416 PolarHBondContact O-N 3.4Å |
| 413 | S | 92.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 173 | -179 | 0 | 0 | 0 | 0 | 112.2 | L409 K417 | L409-S413 VanDerWaalsContact O-CB 3.28Å; L409-S413 WeakPolarHBondContact O-CB 3.41Å; L409-S413 PolarHBondContact O-N 2.96Å; S413-K417 WeakPolarHBondContact O-CB 3.32Å; S413-K417 WeakPolarHBondContact O-CG 3.31Å; S413-K417 PolarHBondContact O-N 2.81Å |
| 414 | F | 93.6 | Very high | 92.4 | Very high | 144 Ų | 144 | 99.8 Ų | 99.8 | 63% | 0.632 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -45.3 | 174.9 | -176.6 | -93.8 | 0 | 0 | 0 | 111.4 | M410 R411 E412 K417 Q418 | M410-F414 PolarHBondContact O-N 2.92Å; M410-F414 VanDerWaalsContact O-N 3.1Å; R411-F414 WeakPolarHBondContact O-CB 3.27Å; R411-F414 PolarHBondContact O-N 3.38Å; E412-F414 VanDerWaalsContact C-N 3.29Å; E412-F414 PolarHBondContact O-N 3.48Å; F414-K417 PolarHBondContact O-N 2.97Å; F414-Q418 PolarHBondContact O-N 2.87Å |
| 415 | R | 94.8 | Very high | 91.4 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -50 | 176.3 | -163.5 | -157 | -43.6 | -100 | -0.1 | 111.8 | R411 E412 K417 Q418 E419 | R411-R415 PolarHBondContact O-N 3.43Å; E412-R415 WeakPolarHBondContact O-CB 3.5Å; E412-R415 PolarHBondContact O-N 2.9Å; E412-R415 IonicContact OE1-NE 3.2Å; E412-R415 PolarHBondContact OE1-NE 3.07Å; E412-R415 IonicContact OE2-CZ 2.61Å; E412-R415 VanDerWaalsContact OE2-CZ 3.22Å; E412-R415 IonicContact OE2-NE 2.79Å; E412-R415 PolarHBondContact OE2-NE 2.92Å; E412-R415 IonicContact OE2-NH2 3.35Å; E412-R415 PolarHBondContact OE2-NH2 3.45Å; R415-K417 VanDerWaalsContact C-N 3.31Å; R415-K417 PolarHBondContact O-N 3.32Å; R415-Q418 WeakPolarHBondContact O-CA 3.46Å; R415-Q418 WeakPolarHBondContact O-CB 3.39Å; R415-Q418 PolarHBondContact O-N 2.89Å; R415-E419 VanDerWaalsContact CD-OE1 3.28Å; R415-E419 WeakPolarHBondContact CD-OE1 3.45Å; R415-E419 WeakPolarHBondContact CG-OE1 3.44Å; R415-E419 WeakPolarHBondContact O-CG 3.33Å; R415-E419 PolarHBondContact O-N 3.05Å |
| 416 | Q | 92.6 | Very high | 90.4 | Very high | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 177.3 | -74.6 | -179.4 | 1.3 | 0 | 0 | 112.5 | E412 Q418 E419 A420 | E412-Q416 WeakPolarHBondContact O-CB 3.23Å; E412-Q416 WeakPolarHBondContact O-CG 3.48Å; E412-Q416 PolarHBondContact O-N 3.4Å; Q416-Q418 VanDerWaalsContact C-N 3.34Å; Q416-E419 PolarHBondContact O-N 3.05Å; Q416-A420 VanDerWaalsContact O-CB 3.28Å; Q416-A420 WeakPolarHBondContact O-CB 3.26Å; Q416-A420 PolarHBondContact O-N 3.5Å |
| 417 | K | 92.7 | Very high | 89.1 | Confident | 140 Ų | 140 | 104.5 Ų | 104.5 | 61% | 0.609 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.6 | -79.3 | 177.3 | -179 | 175.4 | 0 | 111.5 | S413 F414 R415 A420 T421 | S413-K417 WeakPolarHBondContact O-CB 3.32Å; S413-K417 WeakPolarHBondContact O-CG 3.31Å; S413-K417 PolarHBondContact O-N 2.81Å; F414-K417 PolarHBondContact O-N 2.97Å; R415-K417 VanDerWaalsContact C-N 3.31Å; R415-K417 PolarHBondContact O-N 3.32Å; K417-A420 PolarHBondContact O-N 3.02Å; K417-T421 WeakPolarHBondContact O-CG2 3.38Å; K417-T421 PolarHBondContact O-N 3.21Å; K417-T421 PolarHBondContact O-OG1 2.96Å |
| 418 | Q | 92.6 | Very high | 87.6 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 175.9 | 179.9 | 176.8 | -6.9 | 0 | 0 | 111.2 | F414 R415 Q416 A420 T421 E422 | F414-Q418 PolarHBondContact O-N 2.87Å; R415-Q418 WeakPolarHBondContact O-CA 3.46Å; R415-Q418 WeakPolarHBondContact O-CB 3.39Å; R415-Q418 PolarHBondContact O-N 2.89Å; Q416-Q418 VanDerWaalsContact C-N 3.34Å; Q418-A420 VanDerWaalsContact C-N 3.29Å; Q418-A420 PolarHBondContact O-N 3.17Å; Q418-T421 WeakPolarHBondContact CA-OG1 3.42Å; Q418-T421 PolarHBondContact O-N 3.39Å; Q418-T421 VanDerWaalsContact O-N 3.08Å; Q418-T421 PolarHBondContact O-OG1 2.96Å; Q418-E422 HydrophobicContact CG-CG 4.45Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.27Å; Q418-E422 PolarHBondContact NE2-OE1 2.74Å; Q418-E422 WeakPolarHBondContact O-CG 3.34Å; Q418-E422 PolarHBondContact O-N 2.79Å |
| 419 | E | 91.9 | Very high | 85.5 | Confident | 93 Ų | 93 | 114.5 Ų | 114.5 | 44% | 0.435 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.9 | -38.7 | 177.5 | -70.7 | 171 | -170.3 | 0 | 0 | 112.2 | R415 Q416 E422 S423 | R415-E419 VanDerWaalsContact CD-OE1 3.28Å; R415-E419 WeakPolarHBondContact CD-OE1 3.45Å; R415-E419 WeakPolarHBondContact CG-OE1 3.44Å; R415-E419 WeakPolarHBondContact O-CG 3.33Å; R415-E419 PolarHBondContact O-N 3.05Å; Q416-E419 PolarHBondContact O-N 3.05Å; E419-E422 PolarHBondContact O-N 3.01Å; E419-S423 VanDerWaalsContact O-CB 3.3Å; E419-S423 WeakPolarHBondContact O-CB 3.42Å; E419-S423 PolarHBondContact O-N 3.22Å; E419-S423 PolarHBondContact O-OG 2.99Å |
| 420 | A | 89.4 | Confident | 85 | Confident | 55 Ų | 55 | 114.4 Ų | 114.4 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q416 K417 Q418 L424 | Q416-A420 VanDerWaalsContact O-CB 3.28Å; Q416-A420 WeakPolarHBondContact O-CB 3.26Å; Q416-A420 PolarHBondContact O-N 3.5Å; K417-A420 PolarHBondContact O-N 3.02Å; Q418-A420 VanDerWaalsContact C-N 3.29Å; Q418-A420 PolarHBondContact O-N 3.17Å; A420-L424 PolarHBondContact O-N 3Å |
| 421 | T | 87.6 | Confident | 84.4 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.2 | -38 | 175 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | K417 Q418 L424 H425 | K417-T421 WeakPolarHBondContact O-CG2 3.38Å; K417-T421 PolarHBondContact O-N 3.21Å; K417-T421 PolarHBondContact O-OG1 2.96Å; Q418-T421 WeakPolarHBondContact CA-OG1 3.42Å; Q418-T421 PolarHBondContact O-N 3.39Å; Q418-T421 VanDerWaalsContact O-N 3.08Å; Q418-T421 PolarHBondContact O-OG1 2.96Å; T421-L424 PolarHBondContact O-N 3.06Å; T421-H425 PolarHBondContact O-N 3.2Å |
| 422 | E | 86.8 | Confident | 83.8 | Confident | 99 Ų | 99 | 110.7 Ų | 110.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 174.8 | -71.2 | 172.6 | -172.7 | 0 | 0 | 110.9 | Q418 E419 L424 H425 C426 | Q418-E422 HydrophobicContact CG-CG 4.45Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.27Å; Q418-E422 PolarHBondContact NE2-OE1 2.74Å; Q418-E422 WeakPolarHBondContact O-CG 3.34Å; Q418-E422 PolarHBondContact O-N 2.79Å; E419-E422 PolarHBondContact O-N 3.01Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.01Å; E422-H425 WeakPolarHBondContact O-CB 3.33Å; E422-H425 PolarHBondContact O-N 2.74Å; E422-C426 PolarHBondContact O-N 3.36Å; E422-C426 PolarHBondContact O-SG 3.38Å; E422-C426 VanDerWaalsContact O-SG 3.38Å |
| 423 | S | 83.1 | Confident | 83.1 | Confident | 81 Ų | 81 | 113.2 Ų | 113.2 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.8 | -38.1 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | E419 L427 | E419-S423 VanDerWaalsContact O-CB 3.3Å; E419-S423 WeakPolarHBondContact O-CB 3.42Å; E419-S423 PolarHBondContact O-N 3.22Å; E419-S423 PolarHBondContact O-OG 2.99Å; S423-L427 PolarHBondContact O-N 2.82Å |
| 424 | L | 79.1 | Confident | 82.5 | Confident | 116 Ų | 116 | 116.9 Ų | 116.9 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 173 | -94.7 | 164.4 | 0 | 0 | 0 | 111.7 | A420 T421 E422 C426 L427 E428 | A420-L424 PolarHBondContact O-N 3Å; T421-L424 PolarHBondContact O-N 3.06Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.01Å; L424-C426 PolarHBondContact O-N 3.43Å; L424-L427 PolarHBondContact O-N 3.01Å; L424-E428 PolarHBondContact O-N 3.45Å |
| 425 | H | 77.6 | Confident | 81.8 | Confident | 107 Ų | 107 | 115.1 Ų | 115.1 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -40.9 | 177.6 | -173.8 | -74.4 | 0 | 0 | 0 | 112 | T421 E422 L427 E428 E429 | T421-H425 PolarHBondContact O-N 3.2Å; E422-H425 WeakPolarHBondContact O-CB 3.33Å; E422-H425 PolarHBondContact O-N 2.74Å; H425-L427 PolarHBondContact O-N 3.21Å; H425-E428 PolarHBondContact O-N 3.14Å; H425-E429 IonicContact CE1-OE1 2.81Å; H425-E429 PolarHBondContact O-N 2.82Å |
| 426 | C | 74.8 | Confident | 80.9 | Confident | 90 Ų | 90 | 114.5 Ų | 114.5 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.4 | -16.1 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | E422 L424 | E422-C426 PolarHBondContact O-N 3.36Å; E422-C426 PolarHBondContact O-SG 3.38Å; E422-C426 VanDerWaalsContact O-SG 3.38Å; L424-C426 PolarHBondContact O-N 3.43Å |
| 427 | L | 68.4 | Low | 80 | Confident | 147 Ų | 147 | 114.4 Ų | 114.4 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -88.3 | -17.6 | 174.1 | -160.5 | 79.6 | 0 | 0 | 0 | 112.1 | S423 L424 H425 | S423-L427 PolarHBondContact O-N 2.82Å; L424-L427 PolarHBondContact O-N 3.01Å; H425-L427 PolarHBondContact O-N 3.21Å |
| 428 | E | 65.3 | Low | 78.9 | Confident | 179 Ų | 179 | 112.3 Ų | 112.3 | 84% | 0.836 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -94.3 | -14.7 | -177.6 | -151.8 | 167.1 | -157.8 | 0 | 0 | 112.6 | L424 H425 | L424-E428 PolarHBondContact O-N 3.45Å; H425-E428 PolarHBondContact O-N 3.14Å |
| 429 | E | 50.4 | Low | 77.7 | Confident | 201 Ų | 201 | 114.1 Ų | 114.1 | 94% | 0.939 | 61% | 0.61 | S | S | * | * | trans | -85.6 | 0 | 163.1 | -73 | -176 | 157.1 | 0 | 0 | 111.9 | H425 | H425-E429 IonicContact CE1-OE1 2.81Å; H425-E429 PolarHBondContact O-N 2.82Å |
Retrieved 429 of 429 residues in 416.6 ms
(Link to these results)