| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 41.6 | Very low | 237 Ų | 237 | 132.2 Ų | 132.2 | 100% | 1.167 | 72% | 0.716 | S | S | * | * | 0 | 69.3 | 0 | -63.7 | -178.8 | 81.8 | 0 | 0 | 109 | |||||
| 2 | H | 39.8 | Very low | 41.6 | Very low | 190 Ų | 190 | 126 Ų | 126 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | trans | -133.9 | 88.7 | -179.7 | -81.8 | -44.9 | 0 | 0 | 0 | 108.8 | ||||
| 3 | S | 41.4 | Very low | 41.9 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | trans | -147.7 | -4.8 | 171.5 | -53.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4 | D | 44 | Very low | 41.8 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -99 | -10.6 | -171.2 | -67.1 | -33.5 | 0 | 0 | 0 | 115.9 | ||
| 5 | A | 43.7 | Very low | 41.9 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.2 | -26.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | A | 44.9 | Very low | 42.3 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.2 | -24.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 7 | N | 40.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 120 Ų | 120 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.5 | -23.7 | -179 | -94.5 | -14.8 | 0 | 0 | 0 | 113.6 | N11 | N7-N11 PolarHBondContact O-N 3.5Å |
| 8 | F | 37.6 | Very low | 42.3 | Very low | 177 Ų | 177 | 115.7 Ų | 115.7 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.7 | -32.9 | 177.5 | -113.2 | -89.6 | 0 | 0 | 0 | 112.7 | S12 | F8-S12 PolarHBondContact O-N 3.35Å |
| 9 | Q | 44 | Very low | 42.3 | Very low | 140 Ų | 140 | 112.8 Ų | 112.8 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.4 | -31 | 178.6 | -114.4 | 169.4 | -25.6 | 0 | 0 | 113.1 | S12 | Q9-S12 PolarHBondContact O-OG 3.42Å; Q9-S12 VanDerWaalsContact O-OG 3.04Å |
| 10 | L | 41.3 | Very low | 42.7 | Very low | 111 Ų | 111 | 112.4 Ų | 112.4 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.9 | -37.7 | 174 | -122.5 | 83.9 | 0 | 0 | 0 | 111.7 | S12 H13 L14 | L10-S12 PolarHBondContact O-N 3.29Å; L10-H13 PolarHBondContact O-N 3.27Å; L10-L14 WeakPolarHBondContact O-CD1 3.44Å; L10-L14 PolarHBondContact O-N 2.66Å; L10-L14 VanDerWaalsContact O-N 3.15Å |
| 11 | N | 40 | Very low | 42.9 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.4 | -25.5 | -179.4 | -79.2 | -10.1 | 0 | 0 | 0 | 113.6 | N7 T15 | N7-N11 PolarHBondContact O-N 3.5Å; N11-T15 WeakPolarHBondContact O-CG2 3.43Å; N11-T15 PolarHBondContact O-N 3.2Å; N11-T15 PolarHBondContact O-OG1 3.04Å |
| 12 | S | 41.9 | Very low | 43.1 | Very low | 58 Ų | 58 | 109.2 Ų | 109.2 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.9 | -33 | 172.7 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | F8 Q9 L10 T15 T16 | F8-S12 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact O-OG 3.42Å; Q9-S12 VanDerWaalsContact O-OG 3.04Å; L10-S12 PolarHBondContact O-N 3.29Å; S12-T15 WeakPolarHBondContact CA-OG1 3.36Å; S12-T15 PolarHBondContact O-OG1 3.32Å; S12-T16 PolarHBondContact O-N 3.3Å; S12-T16 PolarHBondContact O-OG1 3.48Å; S12-T16 VanDerWaalsContact O-OG1 3.14Å |
| 13 | H | 45 | Very low | 43.7 | Very low | 138 Ų | 138 | 105.5 Ų | 105.5 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.5 | -35.9 | 175.7 | -89.8 | -88.1 | 0 | 0 | 0 | 113 | L10 T15 T16 L17 | L10-H13 PolarHBondContact O-N 3.27Å; H13-T15 VanDerWaalsContact C-N 3.29Å; H13-T15 PolarHBondContact O-N 2.6Å; H13-T16 PolarHBondContact O-N 3.28Å; H13-L17 PolarHBondContact O-N 2.87Å |
| 14 | L | 40.7 | Very low | 44 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.7 | -26.6 | 175.3 | -93.7 | 134.7 | 0 | 0 | 0 | 113.2 | L10 A18 | L10-L14 WeakPolarHBondContact O-CD1 3.44Å; L10-L14 PolarHBondContact O-N 2.66Å; L10-L14 VanDerWaalsContact O-N 3.15Å; L14-A18 WeakPolarHBondContact O-CB 3.2Å; L14-A18 PolarHBondContact O-N 3.42Å |
| 15 | T | 43.8 | Very low | 44 | Very low | 86 Ų | 86 | 106.5 Ų | 106.5 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -80.9 | -29.8 | 179.1 | 40.2 | 0 | 0 | 0 | 0 | 112.9 | N11 S12 H13 S19 | N11-T15 WeakPolarHBondContact O-CG2 3.43Å; N11-T15 PolarHBondContact O-N 3.2Å; N11-T15 PolarHBondContact O-OG1 3.04Å; S12-T15 WeakPolarHBondContact CA-OG1 3.36Å; S12-T15 PolarHBondContact O-OG1 3.32Å; H13-T15 VanDerWaalsContact C-N 3.29Å; H13-T15 PolarHBondContact O-N 2.6Å; T15-S19 WeakPolarHBondContact O-CB 3.03Å; T15-S19 PolarHBondContact O-N 3.06Å; T15-S19 VanDerWaalsContact O-N 3.17Å; T15-S19 PolarHBondContact O-OG 3.31Å |
| 16 | T | 47.7 | Very low | 44 | Very low | 86 Ų | 86 | 105.2 Ų | 105.2 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.8 | -41.9 | 176.1 | -45.1 | 0 | 0 | 0 | 0 | 112.4 | S12 H13 A18 S19 I20 | S12-T16 PolarHBondContact O-N 3.3Å; S12-T16 PolarHBondContact O-OG1 3.48Å; S12-T16 VanDerWaalsContact O-OG1 3.14Å; H13-T16 PolarHBondContact O-N 3.28Å; T16-A18 VanDerWaalsContact C-N 3.33Å; T16-A18 PolarHBondContact O-N 2.92Å; T16-S19 WeakPolarHBondContact O-CB 3.3Å; T16-S19 PolarHBondContact O-N 3.27Å; T16-I20 PolarHBondContact O-N 3.46Å; T16-I20 VanDerWaalsContact O-N 3.07Å |
| 17 | L | 42.9 | Very low | 44 | Very low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -39.3 | 171.5 | -94.4 | 157.2 | 0 | 0 | 0 | 112.2 | H13 S19 I20 H21 | H13-L17 PolarHBondContact O-N 2.87Å; L17-S19 PolarHBondContact O-N 3.31Å; L17-I20 PolarHBondContact O-N 3.44Å; L17-H21 PolarHBondContact O-N 3.39Å |
| 18 | A | 42 | Very low | 44.1 | Very low | 42 Ų | 42 | 108.8 Ų | 108.8 | 35% | 0.347 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -24.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L14 T16 K22 | L14-A18 WeakPolarHBondContact O-CB 3.2Å; L14-A18 PolarHBondContact O-N 3.42Å; T16-A18 VanDerWaalsContact C-N 3.33Å; T16-A18 PolarHBondContact O-N 2.92Å; A18-K22 VanDerWaalsContact O-CB 3.3Å; A18-K22 WeakPolarHBondContact O-CB 3.47Å; A18-K22 WeakPolarHBondContact O-CD 2.96Å; A18-K22 WeakPolarHBondContact O-CG 3.46Å; A18-K22 PolarHBondContact O-N 2.98Å; A18-K22 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 41.1 | Very low | 44.2 | Very low | 62 Ų | 62 | 108.1 Ų | 108.1 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79.8 | -37.7 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | T15 T16 L17 K22 I23 | T15-S19 WeakPolarHBondContact O-CB 3.03Å; T15-S19 PolarHBondContact O-N 3.06Å; T15-S19 VanDerWaalsContact O-N 3.17Å; T15-S19 PolarHBondContact O-OG 3.31Å; T16-S19 WeakPolarHBondContact O-CB 3.3Å; T16-S19 PolarHBondContact O-N 3.27Å; L17-S19 PolarHBondContact O-N 3.31Å; S19-K22 PolarHBondContact O-N 3.13Å; S19-I23 WeakPolarHBondContact O-CD1 3.47Å; S19-I23 VanDerWaalsContact O-CG1 3.27Å; S19-I23 WeakPolarHBondContact O-CG1 3.44Å; S19-I23 PolarHBondContact O-N 2.82Å; S19-I23 VanDerWaalsContact O-N 3.15Å |
| 20 | I | 50.7 | Low | 44 | Very low | 103 Ų | 103 | 108.1 Ų | 108.1 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -43.9 | 173.2 | -64.5 | 170.1 | 0 | 0 | 0 | 110.8 | T16 L17 K22 I23 H24 | T16-I20 PolarHBondContact O-N 3.46Å; T16-I20 VanDerWaalsContact O-N 3.07Å; L17-I20 PolarHBondContact O-N 3.44Å; I20-K22 PolarHBondContact O-N 2.77Å; I20-I23 PolarHBondContact O-N 3.41Å; I20-H24 PolarHBondContact O-N 2.74Å; I20-H24 VanDerWaalsContact O-N 3.08Å |
| 21 | H | 48 | Very low | 44.4 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.1 | -32.7 | 175.2 | -86.4 | -143.7 | 0 | 0 | 0 | 113.5 | L17 H25 | L17-H21 PolarHBondContact O-N 3.39Å; H21-H25 VanDerWaalsContact O-CB 3.32Å; H21-H25 WeakPolarHBondContact O-CB 3.05Å; H21-H25 PolarHBondContact O-N 3.48Å |
| 22 | K | 45 | Very low | 44.5 | Very low | 148 Ų | 148 | 110.9 Ų | 110.9 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.5 | -33.3 | 175.9 | -82.4 | 173.6 | -176.9 | 175.4 | 0 | 112.9 | A18 S19 I20 T26 | A18-K22 VanDerWaalsContact O-CB 3.3Å; A18-K22 WeakPolarHBondContact O-CB 3.47Å; A18-K22 WeakPolarHBondContact O-CD 2.96Å; A18-K22 WeakPolarHBondContact O-CG 3.46Å; A18-K22 PolarHBondContact O-N 2.98Å; A18-K22 VanDerWaalsContact O-N 3.12Å; S19-K22 PolarHBondContact O-N 3.13Å; I20-K22 PolarHBondContact O-N 2.77Å; K22-T26 VanDerWaalsContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CB 3.48Å; K22-T26 PolarHBondContact O-N 2.88Å; K22-T26 VanDerWaalsContact O-N 3.09Å; K22-T26 PolarHBondContact O-OG1 2.72Å |
| 23 | I | 51.7 | Low | 44 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 57% | 0.569 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.5 | -47.3 | 174.2 | -68.6 | 164 | 0 | 0 | 0 | 109.5 | S19 I20 H25 T26 L27 | S19-I23 WeakPolarHBondContact O-CD1 3.47Å; S19-I23 VanDerWaalsContact O-CG1 3.27Å; S19-I23 WeakPolarHBondContact O-CG1 3.44Å; S19-I23 PolarHBondContact O-N 2.82Å; S19-I23 VanDerWaalsContact O-N 3.15Å; I20-I23 PolarHBondContact O-N 3.41Å; I23-H25 PolarHBondContact O-N 3.43Å; I23-T26 PolarHBondContact O-N 2.74Å; I23-L27 HydrophobicContact CG2-CD1 4.05Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.41Å; I23-L27 VanDerWaalsContact O-N 3.15Å |
| 24 | H | 46.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.1 | -45.1 | 177.4 | -169.1 | -102.6 | 0 | 0 | 0 | 112.9 | I20 T26 H28 | I20-H24 PolarHBondContact O-N 2.74Å; I20-H24 VanDerWaalsContact O-N 3.08Å; H24-T26 PolarHBondContact O-N 3.09Å; H24-H28 PolarHBondContact O-N 3.21Å |
| 25 | H | 44 | Very low | 42.9 | Very low | 117 Ų | 117 | 119 Ų | 119 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.6 | -27.9 | 179.9 | -171.1 | -71.1 | 0 | 0 | 0 | 113.7 | H21 I23 R29 | H21-H25 VanDerWaalsContact O-CB 3.32Å; H21-H25 WeakPolarHBondContact O-CB 3.05Å; H21-H25 PolarHBondContact O-N 3.48Å; I23-H25 PolarHBondContact O-N 3.43Å; H25-R29 PolarHBondContact O-N 3.27Å |
| 26 | T | 44.1 | Very low | 42.2 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 37% | 0.368 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -77.1 | -33.4 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | K22 I23 H24 R29 L30 | K22-T26 VanDerWaalsContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CB 3.48Å; K22-T26 PolarHBondContact O-N 2.88Å; K22-T26 VanDerWaalsContact O-N 3.09Å; K22-T26 PolarHBondContact O-OG1 2.72Å; I23-T26 PolarHBondContact O-N 2.74Å; H24-T26 PolarHBondContact O-N 3.09Å; T26-R29 PolarHBondContact O-N 2.71Å; T26-L30 PolarHBondContact O-N 2.86Å |
| 27 | L | 44.7 | Very low | 41.3 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.4 | -37.3 | 173.2 | -69.4 | 170.5 | 0 | 0 | 0 | 112.3 | I23 R29 L30 | I23-L27 HydrophobicContact CG2-CD1 4.05Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.41Å; I23-L27 VanDerWaalsContact O-N 3.15Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.15Å; L27-L30 PolarHBondContact O-N 2.94Å |
| 28 | H | 42 | Very low | 40.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 61% | 0.611 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.9 | -24.5 | 175.2 | -166.5 | -81.3 | 0 | 0 | 0 | 113.5 | H24 | H24-H28 PolarHBondContact O-N 3.21Å |
| 29 | R | 39.9 | Very low | 40 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.3 | -18.9 | -179.5 | -127.7 | -164.9 | -30.3 | -137 | -1.4 | 114.2 | H25 T26 L27 | H25-R29 PolarHBondContact O-N 3.27Å; T26-R29 PolarHBondContact O-N 2.71Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.15Å |
| 30 | L | 41.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 1.2 | -178.5 | -70.4 | 172.1 | 0 | 0 | 0 | 112.9 | T26 L27 | T26-L30 PolarHBondContact O-N 2.86Å; L27-L30 PolarHBondContact O-N 2.94Å |
| 31 | N | 48.4 | Very low | 38.7 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -123.9 | 24.1 | -173.3 | -125.1 | 15.6 | 0 | 0 | 0 | 115.3 | ||
| 32 | L | 42.7 | Very low | 38.4 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | trans | -138.9 | 96.5 | 174.7 | -82.6 | 166.8 | 0 | 0 | 0 | 112.6 | ||||
| 33 | T | 32 | Very low | 37.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | trans | 177.7 | 119.4 | 155.6 | 41.8 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 34 | E | 31.7 | Very low | 36.7 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | cis | -155.5 | 133.8 | 23.7 | -71 | 163.8 | 136.7 | 0 | 0 | 106.3 | ||||
| 35 | D | 30.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | 84 | 138.9 | 80 | -148.8 | -8.9 | 0 | 0 | 0 | 116.5 | |||||
| 36 | V | 30.2 | Very low | 35 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | 104.4 | 112.7 | 152.3 | -168.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 37 | G | 27.6 | Very low | 34.5 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 168.1 | 69.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 38 | Q | 30.6 | Very low | 33.9 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 59.3 | 115 | 138.8 | -78 | 173.4 | -26.1 | 0 | 0 | 124 | ||||
| 39 | D | 27.7 | Very low | 33.4 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | 55.8 | 126.2 | 118.2 | -72.4 | -30.8 | 0 | 0 | 0 | 124.3 | |||||
| 40 | S | 30 | Very low | 33.1 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | 113.7 | 98.1 | 126 | 69.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 41 | H | 33.9 | Very low | 33.2 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | 55.4 | 154.1 | 131.9 | -76 | -62.5 | 0 | 0 | 0 | 124.5 | ||||
| 42 | P | 42.1 | Very low | 33.4 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -108.3 | 166 | -149.4 | 41 | -31.9 | 0 | 0 | 0 | 113.9 | ||||
| 43 | S | 31.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -138.3 | 141.7 | 163.9 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 44 | A | 29.5 | Very low | 32.9 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -97.1 | 152.4 | -160.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 45 | C | 26.7 | Very low | 33 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | 42.5 | 127.4 | 131.5 | -151.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 46 | C | 28.4 | Very low | 32.9 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | -166.7 | 115 | 124.5 | -100 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 47 | S | 33.3 | Very low | 33 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -68.4 | 151.9 | 157.8 | -40.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 48 | R | 32.2 | Very low | 34 | Very low | 257 Ų | 257 | 157 Ų | 157 | 97% | 0.97 | 83% | 0.825 | S | S | * | * | trans | -159.7 | 137.4 | 148.5 | -115.8 | 168.8 | 177.9 | -171.1 | -0.9 | 113.7 | ||||
| 49 | A | 31.4 | Very low | 34 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -94.3 | 164.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 50 | M | 33.5 | Very low | 34.3 | Very low | 180 Ų | 180 | 152 Ų | 152 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | -49.9 | 168 | 160.8 | -70.9 | -113.1 | 173.7 | 0 | 0 | 113.1 | ||||
| 51 | P | 43.7 | Very low | 34.4 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | -161.5 | -142.8 | 51.7 | 40.5 | -12.6 | 0 | 0 | 0 | 115 | |||||
| 52 | P | 53.6 | Low | 34.4 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 68% | 0.682 | 83% | 0.826 | S | S | * | * | -132.5 | 176.4 | -59.8 | 30.9 | -10.2 | 0 | 0 | 0 | 117.6 | |||||
| 53 | R | 32 | Very low | 34.1 | Very low | 226 Ų | 226 | 149.7 Ų | 149.7 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | 71.4 | 133.9 | 139.6 | -92.6 | -179.1 | 176.8 | -167.8 | 2.3 | 122.7 | ||||
| 54 | K | 32.2 | Very low | 34.4 | Very low | 214 Ų | 214 | 150.2 Ų | 150.2 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | -165.8 | 138.7 | 116.2 | -104.8 | 167.6 | -172.8 | 176.9 | 0 | 114.1 | |||||
| 55 | K | 32.2 | Very low | 34.9 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -90.9 | 152.9 | 172.2 | -86.8 | 177.4 | 171.2 | 177.3 | 0 | 110.8 | ||||
| 56 | R | 29.9 | Very low | 35.3 | Very low | 254 Ų | 254 | 150.9 Ų | 150.9 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -167.3 | 139.5 | 133.7 | -114.4 | 174.1 | 159.3 | -178.2 | -7.1 | 113.4 | ||||
| 57 | R | 32.2 | Very low | 36.3 | Very low | 235 Ų | 235 | 154.7 Ų | 154.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -98 | 180 | 166.2 | -114.8 | -176 | -172.6 | -173.6 | 1.5 | 108.5 | ||||
| 58 | P | 46.7 | Very low | 36.5 | Very low | 114 Ų | 114 | 159.6 Ų | 159.6 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | cis | -142.3 | 175.7 | 33.9 | 34.7 | -9.8 | 0 | 0 | 0 | 115.3 | ||||
| 59 | S | 31.2 | Very low | 36.8 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | 175.9 | 132.9 | 75.8 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 60 | A | 33.7 | Very low | 37.5 | Very low | 110 Ų | 110 | 159.3 Ų | 159.3 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | 73.3 | 119.4 | 88.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 61 | G | 32.5 | Very low | 38.2 | Very low | 71 Ų | 71 | 158.8 Ų | 158.8 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | 158.4 | 85.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 62 | D | 34.1 | Very low | 38.2 | Very low | 160 Ų | 160 | 160.1 Ų | 160.1 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | 16.6 | 142.2 | 128.4 | -64.4 | -6.8 | 0 | 0 | 0 | 117.7 | |||||
| 63 | D | 35.2 | Very low | 37.8 | Very low | 137 Ų | 137 | 159.7 Ų | 159.7 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | cis | -173.5 | 170.7 | 7.5 | -156.4 | -12.5 | 0 | 0 | 0 | 108.5 | ||||
| 64 | L | 38 | Very low | 38.5 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | 82.7 | 97 | 157.4 | -53.2 | 176.6 | 0 | 0 | 0 | 122.6 | ||||
| 65 | S | 39.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 29.4 | 118.4 | 130.7 | 69.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 66 | A | 36.7 | Very low | 39.6 | Very low | 103 Ų | 103 | 154.7 Ų | 154.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -155.1 | 119.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 67 | K | 48 | Very low | 40.2 | Very low | 211 Ų | 211 | 150.3 Ų | 150.3 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 123.9 | 171.6 | -71.9 | 175.2 | 173 | 175.5 | 0 | 109.9 | ||||
| 68 | K | 37.1 | Very low | 40.7 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | -170.2 | 115.6 | 135.1 | -122.9 | 169.5 | 175.4 | 173.6 | 0 | 113.2 | ||||
| 69 | S | 38.3 | Very low | 40.6 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 36.9 | 100.3 | 146.9 | -167.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 70 | R | 46.4 | Very low | 41.5 | Very low | 232 Ų | 232 | 144.4 Ų | 144.4 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -94.5 | 163.8 | 148.7 | -81.1 | -176 | 172 | -176.6 | -2.2 | 109.1 | ||||
| 71 | Q | 48.1 | Very low | 42.3 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 89.6 | 105.8 | 172.3 | -104 | 106.6 | 1.9 | 0 | 0 | 116.5 | ||||
| 72 | D | 43.5 | Very low | 43.3 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | S | Bend | 173.9 | 20.2 | 119.8 | -90 | -8.5 | 0 | 0 | 0 | 115.9 | |||
| 73 | S | 45.4 | Very low | 44.3 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -106.7 | 2.3 | -178.5 | 66.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 74 | I | 48.3 | Very low | 45.3 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -100.1 | -30.6 | -177.4 | -61.3 | 175.9 | 0 | 0 | 0 | 112.2 | ||
| 75 | F | 43.1 | Very low | 46.3 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -70.7 | -42.4 | 178.8 | -112.7 | -94.4 | 0 | 0 | 0 | 112.8 | K77 H78 E79 | F75-K77 VanDerWaalsContact C-N 3.32Å; F75-K77 PolarHBondContact O-N 3.45Å; F75-H78 PolarHBondContact O-N 2.9Å; F75-E79 PolarHBondContact O-N 3.12Å |
| 76 | R | 43.9 | Very low | 47.4 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65.1 | -27.5 | -178.4 | -91.1 | -177.9 | 177.9 | 173 | 0.6 | 115 | T80 | R76-T80 PolarHBondContact O-N 3.01Å; R76-T80 PolarHBondContact O-OG1 2.98Å |
| 77 | K | 41.5 | Very low | 49.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.6 | -35.7 | -179.2 | -91.1 | -173.8 | 174.7 | -177.3 | 0 | 112.7 | F75 S81 | F75-K77 VanDerWaalsContact C-N 3.32Å; F75-K77 PolarHBondContact O-N 3.45Å; K77-S81 PolarHBondContact O-N 3.49Å; K77-S81 PolarHBondContact O-OG 3.27Å |
| 78 | H | 43.4 | Very low | 51.3 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 61% | 0.611 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.5 | -40.3 | 176.6 | -114.7 | 24.3 | 0 | 0 | 0 | 111.5 | F75 T80 S81 Q82 | F75-H78 PolarHBondContact O-N 2.9Å; H78-T80 PolarHBondContact O-N 2.94Å; H78-S81 WeakPolarHBondContact CA-OG 3.42Å; H78-S81 PolarHBondContact O-N 3.18Å; H78-S81 PolarHBondContact O-OG 2.88Å; H78-Q82 WeakPolarHBondContact O-CB 3.17Å; H78-Q82 WeakPolarHBondContact O-CG 3.3Å; H78-Q82 PolarHBondContact O-N 3.29Å |
| 79 | E | 44.3 | Very low | 54 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.6 | -48.8 | 175.6 | -125.4 | 173.1 | 167 | 0 | 0 | 111.7 | F75 S81 Q82 I83 | F75-E79 PolarHBondContact O-N 3.12Å; E79-S81 VanDerWaalsContact C-N 3.32Å; E79-S81 PolarHBondContact O-N 3.22Å; E79-Q82 PolarHBondContact O-N 3Å; E79-I83 HydrophobicContact CG-CD1 4.47Å; E79-I83 VanDerWaalsContact O-CB 3.3Å; E79-I83 WeakPolarHBondContact O-CB 3.47Å; E79-I83 WeakPolarHBondContact O-CD1 3.21Å; E79-I83 WeakPolarHBondContact O-CG1 3.41Å; E79-I83 PolarHBondContact O-N 3.45Å |
| 80 | T | 50.8 | Low | 56.9 | Low | 88 Ų | 88 | 128 Ų | 128 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.1 | -20.9 | 179.3 | 31.6 | 0 | 0 | 0 | 0 | 114.9 | R76 H78 | R76-T80 PolarHBondContact O-N 3.01Å; R76-T80 PolarHBondContact O-OG1 2.98Å; H78-T80 PolarHBondContact O-N 2.94Å |
| 81 | S | 50.5 | Low | 59.3 | Low | 52 Ų | 52 | 120.9 Ų | 120.9 | 36% | 0.364 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -85.9 | -38.3 | 174.2 | 36.8 | 0 | 0 | 0 | 0 | 112.1 | K77 H78 E79 R84 E85 | K77-S81 PolarHBondContact O-N 3.49Å; K77-S81 PolarHBondContact O-OG 3.27Å; H78-S81 WeakPolarHBondContact CA-OG 3.42Å; H78-S81 PolarHBondContact O-N 3.18Å; H78-S81 PolarHBondContact O-OG 2.88Å; E79-S81 VanDerWaalsContact C-N 3.32Å; E79-S81 PolarHBondContact O-N 3.22Å; S81-R84 PolarHBondContact O-N 2.8Å; S81-E85 PolarHBondContact O-N 3.27Å |
| 82 | Q | 52.3 | Low | 61.6 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -42.5 | 171.2 | -77.4 | 179.1 | -29.2 | 0 | 0 | 112.2 | H78 E79 R84 E85 E86 | H78-Q82 WeakPolarHBondContact O-CB 3.17Å; H78-Q82 WeakPolarHBondContact O-CG 3.3Å; H78-Q82 PolarHBondContact O-N 3.29Å; E79-Q82 PolarHBondContact O-N 3Å; Q82-R84 VanDerWaalsContact C-N 3.25Å; Q82-R84 PolarHBondContact O-N 3.08Å; Q82-E85 PolarHBondContact O-N 3.26Å; Q82-E86 PolarHBondContact O-N 3.01Å |
| 83 | I | 56.1 | Low | 64.2 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.6 | -35.2 | 175.5 | -68.2 | 162.5 | 0 | 0 | 0 | 111.4 | E79 | E79-I83 HydrophobicContact CG-CD1 4.47Å; E79-I83 VanDerWaalsContact O-CB 3.3Å; E79-I83 WeakPolarHBondContact O-CB 3.47Å; E79-I83 WeakPolarHBondContact O-CD1 3.21Å; E79-I83 WeakPolarHBondContact O-CG1 3.41Å; E79-I83 PolarHBondContact O-N 3.45Å |
| 84 | R | 56.3 | Low | 66.7 | Low | 194 Ų | 194 | 111.6 Ų | 111.6 | 73% | 0.732 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75.7 | -36.4 | 177.6 | -86.9 | -178.8 | 163.6 | -166.2 | -4.6 | 113.6 | S81 Q82 E86 E87 T88 | S81-R84 PolarHBondContact O-N 2.8Å; Q82-R84 VanDerWaalsContact C-N 3.25Å; Q82-R84 PolarHBondContact O-N 3.08Å; R84-E86 VanDerWaalsContact C-N 3.32Å; R84-E87 PolarHBondContact O-N 2.78Å; R84-T88 PolarHBondContact O-N 3.14Å |
| 85 | E | 58.8 | Low | 69.1 | Low | 135 Ų | 135 | 107.7 Ų | 107.7 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -34.5 | 175.9 | -79.3 | 178.6 | 170.6 | 0 | 0 | 111.7 | S81 Q82 E87 T88 | S81-E85 PolarHBondContact O-N 3.27Å; Q82-E85 PolarHBondContact O-N 3.26Å; E85-E87 VanDerWaalsContact C-N 3.3Å; E85-E87 PolarHBondContact O-N 2.65Å; E85-T88 PolarHBondContact O-N 3.42Å; E85-T88 PolarHBondContact O-OG1 3.4Å; E85-T88 VanDerWaalsContact O-OG1 3.13Å |
| 86 | E | 63.1 | Low | 71.7 | Confident | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -33.4 | 175.2 | -80.6 | -179.3 | 168.6 | 0 | 0 | 112.8 | Q82 R84 R93 R163 | Q82-E86 PolarHBondContact O-N 3.01Å; R84-E86 VanDerWaalsContact C-N 3.32Å; E86-R93 PolarHBondContact O-NH1 2.98Å; E86-R93 PolarHBondContact O-NH2 3.31Å; E86-R93 VanDerWaalsContact O-NH2 3.09Å; E86-R163 PolarHBondContact O-NH2 3.3Å |
| 87 | E | 73.9 | Confident | 74.3 | Confident | 144 Ų | 144 | 94.8 Ų | 94.8 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -78 | -20.2 | -180 | -79.5 | -160.5 | 176.1 | 0 | 0 | 114.9 | R84 E85 R163 | R84-E87 PolarHBondContact O-N 2.78Å; E85-E87 VanDerWaalsContact C-N 3.3Å; E85-E87 PolarHBondContact O-N 2.65Å; E87-R163 VanDerWaalsContact CA-NH2 3.27Å; E87-R163 VanDerWaalsContact O-CZ 3.31Å; E87-R163 PolarHBondContact O-NH1 3.42Å; E87-R163 PolarHBondContact O-NH2 2.89Å |
| 88 | T | 91.1 | Very high | 77.1 | Confident | 86 Ų | 86 | 87 Ų | 87 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -89.7 | 149.1 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | R84 E85 R93 | R84-T88 PolarHBondContact O-N 3.14Å; E85-T88 PolarHBondContact O-N 3.42Å; E85-T88 PolarHBondContact O-OG1 3.4Å; E85-T88 VanDerWaalsContact O-OG1 3.13Å; T88-R93 PolarHBondContact O-NH2 3.27Å |
| 89 | F | 95.8 | Very high | 79.7 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 19% | 0.193 | 41% | 0.413 | C | S | . | . | trans | -60.9 | 138.6 | 173.3 | 172.3 | -90.7 | 0 | 0 | 0 | 111.6 | C94 Q157 C158 D159 | F89-C94 HydrophobicContact CE2-CB 3.93Å; F89-C94 HydrophobicContact CZ-CB 3.89Å; F89-Q157 VanDerWaalsContact CB-OE1 3.32Å; F89-C158 WeakPolarHBondContact CE2-O 3.48Å; F89-D159 HydrophobicContact CD2-CB 3.69Å; F89-D159 HydrophobicContact CE2-CB 3.75Å | ||
| 90 | S | 97.4 | Very high | 82.2 | Confident | 40 Ų | 40 | 84.3 Ų | 84.3 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | trans | -127.2 | 117.1 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | K92 R93 C94 D159 | S90-K92 PolarHBondContact O-N 3.31Å; S90-K92 PolarHBondContact OG-N 2.85Å; S90-R93 PolarHBondContact O-N 3.09Å; S90-R93 PolarHBondContact OG-N 3.28Å; S90-C94 PolarHBondContact O-N 2.93Å; S90-D159 WeakPolarHBondContact CB-OD2 3.5Å; S90-D159 PolarHBondContact N-OD2 3.45Å | ||
| 91 | S | 96.9 | Very high | 84.5 | Confident | 84 Ų | 84 | 80.9 Ų | 80.9 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.6 | -32.1 | 175 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | L95 | S91-L95 WeakPolarHBondContact O-CB 3.45Å; S91-L95 PolarHBondContact O-N 2.97Å |
| 92 | K | 97.4 | Very high | 86.7 | Confident | 140 Ų | 140 | 78.8 Ų | 78.8 | 61% | 0.609 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.4 | -46.6 | 177.7 | -176.9 | -178.6 | 169.8 | -173.7 | 0 | 111.1 | S90 C94 L95 E96 | S90-K92 PolarHBondContact O-N 3.31Å; S90-K92 PolarHBondContact OG-N 2.85Å; K92-C94 VanDerWaalsContact C-N 3.32Å; K92-C94 PolarHBondContact O-N 2.81Å; K92-L95 PolarHBondContact O-N 3.34Å; K92-E96 WeakPolarHBondContact CE-OE1 3.41Å; K92-E96 IonicContact NZ-OE1 3.84Å; K92-E96 WeakPolarHBondContact O-CG 3.44Å; K92-E96 PolarHBondContact O-N 3.33Å |
| 93 | R | 97.9 | Very high | 88.7 | Confident | 74 Ų | 74 | 76 Ų | 76 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.6 | -68.6 | -166.2 | -59.2 | -161.1 | -1.4 | 111.2 | E86 T88 S90 L95 E96 W97 D159 | E86-R93 PolarHBondContact O-NH1 2.98Å; E86-R93 PolarHBondContact O-NH2 3.31Å; E86-R93 VanDerWaalsContact O-NH2 3.09Å; T88-R93 PolarHBondContact O-NH2 3.27Å; S90-R93 PolarHBondContact O-N 3.09Å; S90-R93 PolarHBondContact OG-N 3.28Å; R93-L95 VanDerWaalsContact C-N 3.27Å; R93-L95 PolarHBondContact O-N 3.47Å; R93-E96 PolarHBondContact O-N 3.02Å; R93-W97 VanDerWaalsContact O-CB 3.24Å; R93-W97 WeakPolarHBondContact O-CB 3.35Å; R93-W97 PolarHBondContact O-N 3.22Å; R93-D159 HydrophobicContact CB-CB 4.14Å; R93-D159 IonicContact CZ-OD1 3.95Å; R93-D159 IonicContact CZ-OD2 3.07Å; R93-D159 IonicContact NE-OD1 2.78Å; R93-D159 IonicContact NE-OD2 2.75Å; R93-D159 PolarHBondContact NE-OD2 3.36Å; R93-D159 IonicContact NH2-OD1 2.78Å; R93-D159 PolarHBondContact NH2-OD1 2.85Å; R93-D159 IonicContact NH2-OD2 2.69Å; R93-D159 PolarHBondContact NH2-OD2 2.9Å |
| 94 | C | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | F89 S90 K92 F98 W149 L150 M153 D159 | F89-C94 HydrophobicContact CE2-CB 3.93Å; F89-C94 HydrophobicContact CZ-CB 3.89Å; S90-C94 PolarHBondContact O-N 2.93Å; K92-C94 VanDerWaalsContact C-N 3.32Å; K92-C94 PolarHBondContact O-N 2.81Å; C94-F98 PolarHBondContact O-N 3.2Å; C94-F98 VanDerWaalsContact O-N 3.13Å; C94-W149 PolarHBondContact O-NE1 2.75Å; C94-L150 HydrophobicContact CB-CD2 4.35Å; C94-M153 VanDerWaalsContact SG-CB 3.59Å; C94-D159 HydrophobicContact CB-CB 3.84Å |
| 95 | L | 98.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 73 Ų | 73 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.4 | -45.7 | 175.8 | -179.4 | 65.9 | 0 | 0 | 0 | 111.9 | S91 K92 R93 W97 F98 Y99 L146 L150 | S91-L95 WeakPolarHBondContact O-CB 3.45Å; S91-L95 PolarHBondContact O-N 2.97Å; K92-L95 PolarHBondContact O-N 3.34Å; R93-L95 VanDerWaalsContact C-N 3.27Å; R93-L95 PolarHBondContact O-N 3.47Å; L95-W97 VanDerWaalsContact C-N 3.3Å; L95-W97 PolarHBondContact O-N 3.46Å; L95-F98 WeakPolarHBondContact O-CB 3.24Å; L95-F98 PolarHBondContact O-N 3.48Å; L95-Y99 HydrophobicContact CD1-CD2 4.1Å; L95-Y99 HydrophobicContact CD1-CE2 3.53Å; L95-Y99 HydrophobicContact CG-CD2 4.16Å; L95-Y99 HydrophobicContact CG-CE2 3.9Å; L95-Y99 VanDerWaalsContact O-CD2 3.32Å; L95-Y99 WeakPolarHBondContact O-CD2 3.36Å; L95-Y99 PolarHBondContact O-N 3.26Å; L95-L146 HydrophobicContact CD1-CD1 3.44Å; L95-L146 VanDerWaalsContact CD1-CD1 3.44Å; L95-L146 HydrophobicContact CD1-CD2 4.39Å; L95-L146 HydrophobicContact CD1-CG 4.49Å; L95-L150 HydrophobicContact CB-CD2 4.23Å; L95-L150 HydrophobicContact CD1-CD1 4.31Å; L95-L150 HydrophobicContact CD1-CD2 4.36Å |
| 96 | E | 98.1 | Very high | 94 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.3 | -72.2 | 169.5 | 171.3 | 0 | 0 | 110.4 | K92 R93 F98 Y99 E100 | K92-E96 WeakPolarHBondContact CE-OE1 3.41Å; K92-E96 IonicContact NZ-OE1 3.84Å; K92-E96 WeakPolarHBondContact O-CG 3.44Å; K92-E96 PolarHBondContact O-N 3.33Å; R93-E96 PolarHBondContact O-N 3.02Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 3.07Å; E96-Y99 PolarHBondContact O-N 3.13Å; E96-E100 PolarHBondContact O-N 3.42Å |
| 97 | W | 98.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 176.4 | -175.7 | 40.6 | 0 | 0 | 0 | 113 | R93 L95 Y99 E100 Y101 F116 W149 M153 T161 L164 | R93-W97 VanDerWaalsContact O-CB 3.24Å; R93-W97 WeakPolarHBondContact O-CB 3.35Å; R93-W97 PolarHBondContact O-N 3.22Å; L95-W97 VanDerWaalsContact C-N 3.3Å; L95-W97 PolarHBondContact O-N 3.46Å; W97-Y99 PolarHBondContact O-N 3.26Å; W97-E100 WeakPolarHBondContact O-CB 3.12Å; W97-E100 PolarHBondContact O-N 3.32Å; W97-Y101 AromaticContact CD1-CE2 3.72Å; W97-Y101 AromaticContact CE2-CE2 3.99Å; W97-Y101 HydrophobicContact CG-CE2 4.49Å; W97-Y101 AromaticContact NE1-CE2 3.38Å; W97-Y101 AromaticContact NE1-CZ 3.8Å; W97-Y101 PolarHBondContact NE1-OH 2.99Å; W97-Y101 WeakPolarHBondContact O-CD2 3.31Å; W97-F116 HydrophobicContact CH2-CE2 4.04Å; W97-F116 HydrophobicContact CZ2-CD2 4.38Å; W97-F116 AromaticContact CZ2-CE2 3.73Å; W97-F116 HydrophobicContact CZ2-CE2 3.73Å; W97-W149 AromaticContact CD2-CZ2 3.68Å; W97-W149 HydrophobicContact CD2-CZ2 3.68Å; W97-W149 AromaticContact CE2-CZ2 3.95Å; W97-W149 AromaticContact CE3-CZ2 3.51Å; W97-W149 HydrophobicContact CE3-CZ2 3.51Å; W97-W149 AromaticContact CE3-NE1 3.99Å; W97-W149 HydrophobicContact CG-CZ2 4.36Å; W97-W149 HydrophobicContact CH2-CH2 4.3Å; W97-W149 AromaticContact CH2-CZ2 3.91Å; W97-W149 HydrophobicContact CH2-CZ2 3.91Å; W97-W149 HydrophobicContact CZ2-CH2 4.31Å; W97-W149 HydrophobicContact CZ2-CZ2 4.07Å; W97-W149 HydrophobicContact CZ3-CH2 4.45Å; W97-W149 AromaticContact CZ3-CZ2 3.63Å; W97-W149 HydrophobicContact CZ3-CZ2 3.63Å; W97-M153 HydrophobicContact CH2-CE 4.09Å; W97-M153 HydrophobicContact CH2-SD 4.19Å; W97-M153 HydrophobicContact CZ3-CE 4.11Å; W97-M153 HydrophobicContact CZ3-CG 4.28Å; W97-M153 HydrophobicContact CZ3-SD 3.85Å; W97-T161 PolarHBondContact NE1-OG1 3.33Å; W97-L164 HydrophobicContact CH2-CB 3.87Å; W97-L164 HydrophobicContact CH2-CD2 3.79Å; W97-L164 HydrophobicContact CH2-CG 4.48Å; W97-L164 HydrophobicContact CZ2-CD2 4.4Å |
| 98 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.8 | 172.1 | -94.8 | 0 | 0 | 0 | 112.1 | C94 L95 E96 E100 Y101 A102 V108 L146 W149 | C94-F98 PolarHBondContact O-N 3.2Å; C94-F98 VanDerWaalsContact O-N 3.13Å; L95-F98 WeakPolarHBondContact O-CB 3.24Å; L95-F98 PolarHBondContact O-N 3.48Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 3.07Å; F98-E100 PolarHBondContact O-N 3.39Å; F98-Y101 PolarHBondContact O-N 2.88Å; F98-A102 HydrophobicContact CD1-CB 3.86Å; F98-A102 HydrophobicContact CE1-CB 3.33Å; F98-A102 HydrophobicContact CE2-CB 4.35Å; F98-A102 HydrophobicContact CZ-CB 3.62Å; F98-A102 PolarHBondContact O-N 3.28Å; F98-V108 HydrophobicContact CD2-CG2 3.84Å; F98-V108 HydrophobicContact CE2-CG2 3.51Å; F98-V108 HydrophobicContact CZ-CG2 4.06Å; F98-L146 HydrophobicContact CB-CD1 4.49Å; F98-L146 HydrophobicContact CD1-CD1 3.5Å; F98-L146 HydrophobicContact CD2-CD1 4.37Å; F98-L146 HydrophobicContact CE1-CB 3.88Å; F98-L146 HydrophobicContact CE1-CD1 3.7Å; F98-L146 HydrophobicContact CE1-CG 4.34Å; F98-L146 HydrophobicContact CE2-CB 4.33Å; F98-L146 HydrophobicContact CG-CD1 3.87Å; F98-L146 VanDerWaalsContact CZ-CA 3.48Å; F98-L146 HydrophobicContact CZ-CB 3.76Å; F98-L146 HydrophobicContact CZ-CD1 4.2Å; F98-W149 HydrophobicContact CB-CD2 4.43Å; F98-W149 HydrophobicContact CB-CG 4.22Å; F98-W149 HydrophobicContact CD2-CB 3.61Å; F98-W149 AromaticContact CD2-CD1 3.9Å; F98-W149 AromaticContact CD2-CD2 3.73Å; F98-W149 HydrophobicContact CD2-CD2 3.73Å; F98-W149 HydrophobicContact CD2-CE3 4.18Å; F98-W149 AromaticContact CD2-CG 3.49Å; F98-W149 HydrophobicContact CD2-CG 3.49Å; F98-W149 VanDerWaalsContact CD2-CG 3.49Å; F98-W149 HydrophobicContact CE2-CB 3.97Å; F98-W149 HydrophobicContact CE2-CG 4.31Å; F98-W149 HydrophobicContact CG-CG 4.28Å |
| 99 | Y | 98.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.8 | -12.7 | -177.5 | -73.7 | -61.8 | 0 | 0 | 0 | 113.5 | L95 E96 W97 Y101 A102 G103 D105 D106 | L95-Y99 HydrophobicContact CD1-CD2 4.1Å; L95-Y99 HydrophobicContact CD1-CE2 3.53Å; L95-Y99 HydrophobicContact CG-CD2 4.16Å; L95-Y99 HydrophobicContact CG-CE2 3.9Å; L95-Y99 VanDerWaalsContact O-CD2 3.32Å; L95-Y99 WeakPolarHBondContact O-CD2 3.36Å; L95-Y99 PolarHBondContact O-N 3.26Å; E96-Y99 PolarHBondContact O-N 3.13Å; W97-Y99 PolarHBondContact O-N 3.26Å; Y99-Y101 PolarHBondContact O-N 2.93Å; Y99-A102 HydrophobicContact CD1-CB 4.27Å; Y99-G103 WeakPolarHBondContact CD1-O 3.49Å; Y99-G103 PolarHBondContact O-N 2.92Å; Y99-G103 VanDerWaalsContact O-N 3.11Å; Y99-D105 WeakPolarHBondContact CE1-O 3.2Å; Y99-D106 PolarHBondContact OH-OD1 2.63Å |
| 100 | E | 98.2 | Very high | 97.2 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -23.6 | 168.1 | -63.7 | -179.7 | -163.2 | 0 | 0 | 113 | E96 W97 F98 K115 | E96-E100 PolarHBondContact O-N 3.42Å; W97-E100 WeakPolarHBondContact O-CB 3.12Å; W97-E100 PolarHBondContact O-N 3.32Å; F98-E100 PolarHBondContact O-N 3.39Å; E100-K115 PolarHBondContact O-NZ 3.33Å |
| 101 | Y | 98.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 6% | 0.059 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -110.5 | -31.3 | 179.5 | -52.9 | -69 | 0 | 0 | 0 | 113.1 | W97 F98 Y99 K115 F116 D119 W149 | W97-Y101 AromaticContact CD1-CE2 3.72Å; W97-Y101 AromaticContact CE2-CE2 3.99Å; W97-Y101 HydrophobicContact CG-CE2 4.49Å; W97-Y101 AromaticContact NE1-CE2 3.38Å; W97-Y101 AromaticContact NE1-CZ 3.8Å; W97-Y101 PolarHBondContact NE1-OH 2.99Å; W97-Y101 WeakPolarHBondContact O-CD2 3.31Å; F98-Y101 PolarHBondContact O-N 2.88Å; Y99-Y101 PolarHBondContact O-N 2.93Å; Y101-K115 HydrophobicContact CD1-CB 4.27Å; Y101-K115 HydrophobicContact CD1-CD 3.98Å; Y101-K115 HydrophobicContact CD1-CG 4.1Å; Y101-K115 HydrophobicContact CE1-CD 4.17Å; Y101-K115 HydrophobicContact CE1-CG 4.04Å; Y101-F116 HydrophobicContact CD1-CB 3.78Å; Y101-F116 HydrophobicContact CD2-CB 4.4Å; Y101-F116 HydrophobicContact CD2-CD2 4.25Å; Y101-F116 VanDerWaalsContact CE1-CA 3.47Å; Y101-F116 HydrophobicContact CE1-CB 3.83Å; Y101-F116 HydrophobicContact CE1-CD2 4.38Å; Y101-F116 HydrophobicContact CE2-CB 4.4Å; Y101-F116 AromaticContact CE2-CD2 3.74Å; Y101-F116 HydrophobicContact CE2-CD2 3.74Å; Y101-F116 HydrophobicContact CG-CB 4.1Å; Y101-F116 AromaticContact CZ-CD2 3.84Å; Y101-D119 HydrophobicContact CE1-CB 4.46Å; Y101-D119 WeakPolarHBondContact CE1-OD2 3.46Å; Y101-D119 WeakPolarHBondContact OH-CB 3.47Å; Y101-D119 PolarHBondContact OH-OD2 3.25Å; Y101-W149 AromaticContact CD2-CH2 3.89Å; Y101-W149 HydrophobicContact CD2-CH2 3.89Å; Y101-W149 HydrophobicContact CD2-CZ2 4.36Å; Y101-W149 HydrophobicContact CE2-CH2 4.03Å; Y101-W149 HydrophobicContact CE2-CZ2 4.41Å |
| 102 | A | 97.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -85.1 | -15.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F98 Y99 C104 D105 V108 | F98-A102 HydrophobicContact CD1-CB 3.86Å; F98-A102 HydrophobicContact CE1-CB 3.33Å; F98-A102 HydrophobicContact CE2-CB 4.35Å; F98-A102 HydrophobicContact CZ-CB 3.62Å; F98-A102 PolarHBondContact O-N 3.28Å; Y99-A102 HydrophobicContact CD1-CB 4.27Å; A102-C104 PolarHBondContact O-N 3.24Å; A102-D105 VanDerWaalsContact CB-O 3.3Å; A102-D105 WeakPolarHBondContact CB-O 3.42Å; A102-D105 PolarHBondContact O-N 2.78Å; A102-V108 HydrophobicContact CB-CG2 3.85Å |
| 103 | G | 93.9 | Very high | 97.3 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -120.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y99 | Y99-G103 WeakPolarHBondContact CD1-O 3.49Å; Y99-G103 PolarHBondContact O-N 2.92Å; Y99-G103 VanDerWaalsContact O-N 3.11Å |
| 104 | C | 91 | Very high | 97.3 | Very high | 121 Ų | 121 | 57 Ų | 57 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 1.5 | 177.6 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | A102 | A102-C104 PolarHBondContact O-N 3.24Š|
| 105 | D | 94.1 | Very high | 97.3 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -98.3 | 160 | -177.8 | -63.2 | -30.9 | 0 | 0 | 0 | 111.3 | Y99 A102 V107 | Y99-D105 WeakPolarHBondContact CE1-O 3.2Å; A102-D105 VanDerWaalsContact CB-O 3.3Å; A102-D105 WeakPolarHBondContact CB-O 3.42Å; A102-D105 PolarHBondContact O-N 2.78Å; D105-V107 PolarHBondContact O-N 3.4Å |
| 106 | D | 97.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -88.6 | 23.1 | 174.6 | -72.3 | -25.1 | 0 | 0 | 0 | 112.6 | Y99 L146 | Y99-D106 PolarHBondContact OH-OD1 2.63Å; D106-L146 HydrophobicContact CB-CB 4.23Å; D106-L146 PolarHBondContact O-N 2.65Å |
| 107 | V | 98.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 129 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | D105 G109 Y143 F144 T145 | D105-V107 PolarHBondContact O-N 3.4Å; V107-G109 PolarHBondContact O-N 3.05Å; V107-Y143 HydrophobicContact CG1-CD1 3.9Å; V107-F144 CarbonylContact C-O 3.48Å; V107-F144 WeakPolarHBondContact CA-O 3.42Å; V107-T145 HydrophobicContact CG2-CG2 4.29Å |
| 108 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 110.9 | 163.5 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | F98 A102 G112 I113 Y143 F144 | F98-V108 HydrophobicContact CD2-CG2 3.84Å; F98-V108 HydrophobicContact CE2-CG2 3.51Å; F98-V108 HydrophobicContact CZ-CG2 4.06Å; A102-V108 HydrophobicContact CB-CG2 3.85Å; V108-G112 VanDerWaalsContact CG1-C 3.47Å; V108-I113 HydrophobicContact CB-CD1 4.35Å; V108-I113 HydrophobicContact CG1-CD1 3.75Å; V108-I113 HydrophobicContact CG1-CG1 4Å; V108-Y143 VanDerWaalsContact O-CA 3.25Å; V108-Y143 WeakPolarHBondContact O-CA 3.36Å; V108-F144 HydrophobicContact CB-CB 4.39Å; V108-F144 PolarHBondContact N-O 3.23Å; V108-F144 PolarHBondContact O-N 3.3Å |
| 109 | G | 97.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | trans | -87.3 | -174.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V107 E111 G112 I113 G142 | V107-G109 PolarHBondContact O-N 3.05Å; G109-E111 PolarHBondContact O-N 2.96Å; G109-G112 WeakPolarHBondContact O-CA 3.32Å; G109-G112 PolarHBondContact O-N 3.16Å; G109-I113 WeakPolarHBondContact O-CG1 3.17Å; G109-I113 PolarHBondContact O-N 3.32Å; G109-G142 CarbonylContact C-O 3.59Å | ||
| 110 | P | 96.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 59 Ų | 59 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -53.2 | -45.3 | -174 | -30.3 | 36.2 | 0 | 0 | 0 | 114.6 | G112 I113 E114 Y143 | P110-G112 VanDerWaalsContact C-N 3.32Å; P110-G112 PolarHBondContact O-N 3.39Å; P110-I113 PolarHBondContact O-N 3.23Å; P110-E114 WeakPolarHBondContact O-CG 3.45Å; P110-E114 PolarHBondContact O-N 3.21Å; P110-Y143 HydrophobicContact CG-CE1 4.33Å; P110-Y143 HydrophobicContact CG-CE2 4.42Å |
| 111 | E | 96.8 | Very high | 97.2 | Very high | 156 Ų | 156 | 56.7 Ų | 56.7 | 73% | 0.729 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 177.7 | -62 | 179.7 | 179.5 | 0 | 0 | 112.1 | G109 E114 K115 | G109-E111 PolarHBondContact O-N 2.96Å; E111-E114 PolarHBondContact O-N 2.99Å; E111-K115 PolarHBondContact O-N 3.41Å; E111-K115 VanDerWaalsContact O-N 3.15Å |
| 112 | G | 98.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 G109 P110 F116 | V108-G112 VanDerWaalsContact CG1-C 3.47Å; G109-G112 WeakPolarHBondContact O-CA 3.32Å; G109-G112 PolarHBondContact O-N 3.16Å; P110-G112 VanDerWaalsContact C-N 3.32Å; P110-G112 PolarHBondContact O-N 3.39Å; G112-F116 VanDerWaalsContact O-CB 3.24Å; G112-F116 WeakPolarHBondContact O-CB 3.4Å; G112-F116 PolarHBondContact O-N 3.44Å |
| 113 | I | 98.2 | Very high | 97.1 | Very high | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 173.5 | -65.9 | -61.8 | 0 | 0 | 0 | 111 | V108 G109 P110 F116 C117 G142 F144 | V108-I113 HydrophobicContact CB-CD1 4.35Å; V108-I113 HydrophobicContact CG1-CD1 3.75Å; V108-I113 HydrophobicContact CG1-CG1 4Å; G109-I113 WeakPolarHBondContact O-CG1 3.17Å; G109-I113 PolarHBondContact O-N 3.32Å; P110-I113 PolarHBondContact O-N 3.23Å; I113-F116 PolarHBondContact O-N 2.91Å; I113-C117 WeakPolarHBondContact O-CB 3.4Å; I113-C117 PolarHBondContact O-N 3.25Å; I113-C117 PolarHBondContact O-SG 3.14Å; I113-G142 WeakPolarHBondContact CG1-O 3.28Å; I113-F144 HydrophobicContact CD1-CD2 3.33Å; I113-F144 HydrophobicContact CD1-CE2 3.58Å; I113-F144 HydrophobicContact CD1-CG 4.01Å; I113-F144 HydrophobicContact CD1-CZ 4.41Å |
| 114 | E | 97.6 | Very high | 97.1 | Very high | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.4 | -50.2 | 176.2 | -75.2 | 178.5 | -175.7 | 0 | 0 | 111.2 | P110 E111 F116 C117 E118 P124 | P110-E114 WeakPolarHBondContact O-CG 3.45Å; P110-E114 PolarHBondContact O-N 3.21Å; E111-E114 PolarHBondContact O-N 2.99Å; E114-F116 VanDerWaalsContact C-N 3.34Å; E114-F116 PolarHBondContact O-N 2.82Å; E114-C117 WeakPolarHBondContact O-CB 3.28Å; E114-C117 PolarHBondContact O-N 3.33Å; E114-E118 PolarHBondContact O-N 2.96Å; E114-P124 HydrophobicContact CG-CG 4.5Å |
| 115 | K | 98.4 | Very high | 97.2 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.2 | -176.8 | -171.8 | 166.9 | -165.4 | 0 | 111.8 | E100 Y101 E111 C117 E118 D119 | E100-K115 PolarHBondContact O-NZ 3.33Å; Y101-K115 HydrophobicContact CD1-CB 4.27Å; Y101-K115 HydrophobicContact CD1-CD 3.98Å; Y101-K115 HydrophobicContact CD1-CG 4.1Å; Y101-K115 HydrophobicContact CE1-CD 4.17Å; Y101-K115 HydrophobicContact CE1-CG 4.04Å; E111-K115 PolarHBondContact O-N 3.41Å; E111-K115 VanDerWaalsContact O-N 3.15Å; K115-C117 VanDerWaalsContact C-N 3.33Å; K115-C117 PolarHBondContact O-N 3.3Å; K115-E118 PolarHBondContact O-N 3.35Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.19Å |
| 116 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.2 | 169.8 | -114.7 | 0 | 0 | 0 | 112.3 | W97 Y101 G112 I113 E114 D119 I120 M129 L132 F144 W149 M153 L164 | W97-F116 HydrophobicContact CH2-CE2 4.04Å; W97-F116 HydrophobicContact CZ2-CD2 4.38Å; W97-F116 AromaticContact CZ2-CE2 3.73Å; W97-F116 HydrophobicContact CZ2-CE2 3.73Å; Y101-F116 HydrophobicContact CD1-CB 3.78Å; Y101-F116 HydrophobicContact CD2-CB 4.4Å; Y101-F116 HydrophobicContact CD2-CD2 4.25Å; Y101-F116 VanDerWaalsContact CE1-CA 3.47Å; Y101-F116 HydrophobicContact CE1-CB 3.83Å; Y101-F116 HydrophobicContact CE1-CD2 4.38Å; Y101-F116 HydrophobicContact CE2-CB 4.4Å; Y101-F116 AromaticContact CE2-CD2 3.74Å; Y101-F116 HydrophobicContact CE2-CD2 3.74Å; Y101-F116 HydrophobicContact CG-CB 4.1Å; Y101-F116 AromaticContact CZ-CD2 3.84Å; G112-F116 VanDerWaalsContact O-CB 3.24Å; G112-F116 WeakPolarHBondContact O-CB 3.4Å; G112-F116 PolarHBondContact O-N 3.44Å; I113-F116 PolarHBondContact O-N 2.91Å; E114-F116 VanDerWaalsContact C-N 3.34Å; E114-F116 PolarHBondContact O-N 2.82Å; F116-D119 PolarHBondContact O-N 3.32Å; F116-I120 HydrophobicContact CD1-CD1 4.36Å; F116-I120 HydrophobicContact CD2-CG2 4.18Å; F116-I120 HydrophobicContact CE1-CD1 3.88Å; F116-I120 HydrophobicContact CE2-CD1 4.37Å; F116-I120 HydrophobicContact CE2-CG2 3.81Å; F116-I120 HydrophobicContact CZ-CD1 3.91Å; F116-I120 HydrophobicContact CZ-CG2 4.31Å; F116-I120 WeakPolarHBondContact O-CG1 3.46Å; F116-I120 PolarHBondContact O-N 3.24Å; F116-M129 HydrophobicContact CD1-CE 4.01Å; F116-M129 HydrophobicContact CE1-CE 3.82Å; F116-M129 HydrophobicContact CE1-SD 4.36Å; F116-L132 HydrophobicContact CE1-CD2 3.63Å; F116-L132 HydrophobicContact CZ-CD2 3.7Å; F116-F144 HydrophobicContact CE1-CE2 4.23Å; F116-W149 AromaticContact CD2-CH2 3.7Å; F116-W149 HydrophobicContact CD2-CH2 3.7Å; F116-W149 HydrophobicContact CD2-CZ3 4.24Å; F116-W149 HydrophobicContact CE1-CZ3 4.34Å; F116-W149 AromaticContact CE2-CH2 3.44Å; F116-W149 HydrophobicContact CE2-CH2 3.44Å; F116-W149 VanDerWaalsContact CE2-CH2 3.44Å; F116-W149 HydrophobicContact CE2-CZ2 4.41Å; F116-W149 AromaticContact CE2-CZ3 4Å; F116-W149 HydrophobicContact CE2-CZ3 4Å; F116-W149 HydrophobicContact CG-CH2 4.36Å; F116-W149 HydrophobicContact CG-CZ3 4.49Å; F116-W149 AromaticContact CZ-CH2 3.91Å; F116-W149 HydrophobicContact CZ-CH2 3.91Å; F116-W149 HydrophobicContact CZ-CZ3 4.02Å; F116-M153 HydrophobicContact CE2-CE 4.47Å; F116-M153 HydrophobicContact CZ-CE 3.98Å; F116-L164 HydrophobicContact CE1-CD2 4.48Å; F116-L164 HydrophobicContact CE2-CD2 3.69Å; F116-L164 HydrophobicContact CZ-CD2 3.34Å |
| 117 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | I113 E114 K115 D119 I120 G121 V122 P124 M129 | I113-C117 WeakPolarHBondContact O-CB 3.4Å; I113-C117 PolarHBondContact O-N 3.25Å; I113-C117 PolarHBondContact O-SG 3.14Å; E114-C117 WeakPolarHBondContact O-CB 3.28Å; E114-C117 PolarHBondContact O-N 3.33Å; K115-C117 VanDerWaalsContact C-N 3.33Å; K115-C117 PolarHBondContact O-N 3.3Å; C117-D119 PolarHBondContact O-N 3.21Å; C117-I120 WeakPolarHBondContact O-CG1 3.41Å; C117-I120 PolarHBondContact O-N 3.25Å; C117-G121 PolarHBondContact O-N 3.37Å; C117-V122 CarbonylContact C-O 3.52Å; C117-V122 VanDerWaalsContact C-O 3.27Å; C117-V122 HydrophobicContact CB-CG2 4.27Å; C117-V122 VanDerWaalsContact CB-O 3.31Å; C117-V122 WeakPolarHBondContact CB-O 3.32Å; C117-V122 PolarHBondContact O-N 3.25Å; C117-P124 HydrophobicContact CB-CG 4.08Å; C117-M129 WeakPolarHBondContact SG-CE 3.4Å |
| 118 | E | 98.4 | Very high | 97.1 | Very high | 150 Ų | 150 | 56.1 Ų | 56.1 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.8 | -49.3 | 173.6 | -176.7 | 179.9 | -174.4 | 0 | 0 | 111 | E114 K115 I120 G121 | E114-E118 PolarHBondContact O-N 2.96Å; K115-E118 PolarHBondContact O-N 3.35Å; E118-I120 VanDerWaalsContact C-N 3.31Å; E118-I120 PolarHBondContact O-N 3.25Å; E118-G121 PolarHBondContact O-N 2.91Å |
| 119 | D | 98.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 180 | -80.7 | -12.5 | 0 | 0 | 0 | 112.7 | Y101 K115 F116 C117 T161 R165 | Y101-D119 HydrophobicContact CE1-CB 4.46Å; Y101-D119 WeakPolarHBondContact CE1-OD2 3.46Å; Y101-D119 WeakPolarHBondContact OH-CB 3.47Å; Y101-D119 PolarHBondContact OH-OD2 3.25Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.19Å; F116-D119 PolarHBondContact O-N 3.32Å; C117-D119 PolarHBondContact O-N 3.21Å; D119-T161 HydrophobicContact CB-CG2 4.18Å; D119-T161 WeakPolarHBondContact O-CG2 3.43Å; D119-R165 PolarHBondContact O-NE 2.96Å; D119-R165 PolarHBondContact O-NH2 3.4Å |
| 120 | I | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -91.2 | -1 | 175.6 | 70 | -176 | 0 | 0 | 0 | 113.1 | F116 C117 E118 V122 M129 T161 L164 R165 | F116-I120 HydrophobicContact CD1-CD1 4.36Å; F116-I120 HydrophobicContact CD2-CG2 4.18Å; F116-I120 HydrophobicContact CE1-CD1 3.88Å; F116-I120 HydrophobicContact CE2-CD1 4.37Å; F116-I120 HydrophobicContact CE2-CG2 3.81Å; F116-I120 HydrophobicContact CZ-CD1 3.91Å; F116-I120 HydrophobicContact CZ-CG2 4.31Å; F116-I120 WeakPolarHBondContact O-CG1 3.46Å; F116-I120 PolarHBondContact O-N 3.24Å; C117-I120 WeakPolarHBondContact O-CG1 3.41Å; C117-I120 PolarHBondContact O-N 3.25Å; E118-I120 VanDerWaalsContact C-N 3.31Å; E118-I120 PolarHBondContact O-N 3.25Å; I120-V122 HydrophobicContact CD1-CG2 3.65Å; I120-V122 HydrophobicContact CG1-CB 4.42Å; I120-V122 HydrophobicContact CG1-CG1 4.27Å; I120-V122 HydrophobicContact CG1-CG2 3.58Å; I120-M129 HydrophobicContact CD1-SD 3.73Å; I120-T161 HydrophobicContact CG2-CG2 4.05Å; I120-L164 HydrophobicContact CD1-CD2 4.3Å; I120-L164 HydrophobicContact CG2-CD2 3.99Å; I120-L164 HydrophobicContact CG2-CG 4.49Å; I120-R165 HydrophobicContact CB-CG 4.19Å; I120-R165 WeakPolarHBondContact O-CG 3.47Å |
| 121 | G | 97.8 | Very high | 97.3 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C117 E118 | C117-G121 PolarHBondContact O-N 3.37Å; E118-G121 PolarHBondContact O-N 2.91Å |
| 122 | V | 97 | Very high | 97.3 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | trans | -129.6 | 153 | 176 | -53 | 0 | 0 | 0 | 0 | 110.4 | C117 I120 N126 V128 M129 L168 | C117-V122 CarbonylContact C-O 3.52Å; C117-V122 VanDerWaalsContact C-O 3.27Å; C117-V122 HydrophobicContact CB-CG2 4.27Å; C117-V122 VanDerWaalsContact CB-O 3.31Å; C117-V122 WeakPolarHBondContact CB-O 3.32Å; C117-V122 PolarHBondContact O-N 3.25Å; I120-V122 HydrophobicContact CD1-CG2 3.65Å; I120-V122 HydrophobicContact CG1-CB 4.42Å; I120-V122 HydrophobicContact CG1-CG1 4.27Å; I120-V122 HydrophobicContact CG1-CG2 3.58Å; V122-N126 HydrophobicContact CB-CB 4.34Å; V122-V128 HydrophobicContact CB-CG1 4.34Å; V122-V128 HydrophobicContact CG1-CG1 3.96Å; V122-M129 HydrophobicContact CG2-CG 3.74Å; V122-M129 HydrophobicContact CG2-SD 3.67Å; V122-L168 HydrophobicContact CG1-CD1 3.79Å | ||
| 123 | E | 95.7 | Very high | 97.4 | Very high | 142 Ų | 142 | 45.5 Ų | 45.5 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | trans | -75.8 | 148.5 | 169.9 | -67.2 | 174.2 | 176.6 | 0 | 0 | 110.3 | E125 N126 | E123-E125 PolarHBondContact O-N 2.97Å; E123-N126 WeakPolarHBondContact O-CB 3.33Å; E123-N126 PolarHBondContact O-N 3.13Å | ||
| 124 | P | 92.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -35.3 | 174.7 | -26.7 | 35 | 0 | 0 | 0 | 113.1 | E114 C117 N126 | E114-P124 HydrophobicContact CG-CG 4.5Å; C117-P124 HydrophobicContact CB-CG 4.08Å; P124-N126 PolarHBondContact O-N 2.91Å |
| 125 | E | 93.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 24.6 | 176.1 | -60.2 | -174.9 | -175.4 | 0 | 0 | 112.8 | E123 L211 | E123-E125 PolarHBondContact O-N 2.97Å; E125-L211 WeakPolarHBondContact O-CD1 3.4Å; E125-L211 WeakPolarHBondContact O-CD2 3.43Å |
| 126 | N | 94.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | trans | -87.1 | 136.4 | 173.9 | -162.7 | -69 | 0 | 0 | 0 | 111.2 | V122 E123 P124 V128 M129 | V122-N126 HydrophobicContact CB-CB 4.34Å; E123-N126 WeakPolarHBondContact O-CB 3.33Å; E123-N126 PolarHBondContact O-N 3.13Å; P124-N126 PolarHBondContact O-N 2.91Å; N126-V128 HydrophobicContact CB-CG1 4.2Å; N126-V128 PolarHBondContact O-N 3.04Å; N126-V128 VanDerWaalsContact OD1-CG1 3.28Å; N126-V128 WeakPolarHBondContact OD1-CG1 3.48Å; N126-V128 PolarHBondContact OD1-N 3.17Å; N126-M129 WeakPolarHBondContact O-CB 3.34Å; N126-M129 PolarHBondContact O-N 3.41Å | ||
| 127 | V | 96.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.7 | -27.9 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | M129 L130 V131 L175 L211 | V127-M129 VanDerWaalsContact C-N 3.25Å; V127-M129 PolarHBondContact O-N 3.01Å; V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 3.46Å; V127-V131 PolarHBondContact O-N 2.85Å; V127-L175 HydrophobicContact CB-CD1 4.45Å; V127-L175 HydrophobicContact CG1-CD1 4.03Å; V127-L175 HydrophobicContact CG2-CD1 3.6Å; V127-L211 HydrophobicContact CB-CB 4.27Å; V127-L211 HydrophobicContact CG2-CB 4.3Å; V127-L211 WeakPolarHBondContact CG2-O 3.36Å |
| 128 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -30.2 | 176.2 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | V122 N126 L130 V131 L132 L168 L171 R172 | V122-V128 HydrophobicContact CB-CG1 4.34Å; V122-V128 HydrophobicContact CG1-CG1 3.96Å; N126-V128 HydrophobicContact CB-CG1 4.2Å; N126-V128 PolarHBondContact O-N 3.04Å; N126-V128 VanDerWaalsContact OD1-CG1 3.28Å; N126-V128 WeakPolarHBondContact OD1-CG1 3.48Å; N126-V128 PolarHBondContact OD1-N 3.17Å; V128-L130 VanDerWaalsContact C-N 3.34Å; V128-V131 PolarHBondContact O-N 3.17Å; V128-L132 PolarHBondContact O-N 2.92Å; V128-L168 HydrophobicContact CG1-CD2 4.33Å; V128-L168 HydrophobicContact CG2-CD2 3.96Å; V128-L171 HydrophobicContact CG2-CB 3.73Å; V128-L171 HydrophobicContact CG2-CD1 4.36Å; V128-R172 HydrophobicContact CB-CG 4.14Å; V128-R172 HydrophobicContact CG2-CG 3.88Å |
| 129 | M | 98.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | 175.5 | -72.2 | -58.6 | -61.6 | 0 | 0 | 111.8 | F116 C117 I120 V122 N126 V127 L132 A133 F144 | F116-M129 HydrophobicContact CD1-CE 4.01Å; F116-M129 HydrophobicContact CE1-CE 3.82Å; F116-M129 HydrophobicContact CE1-SD 4.36Å; C117-M129 WeakPolarHBondContact SG-CE 3.4Å; I120-M129 HydrophobicContact CD1-SD 3.73Å; V122-M129 HydrophobicContact CG2-CG 3.74Å; V122-M129 HydrophobicContact CG2-SD 3.67Å; N126-M129 WeakPolarHBondContact O-CB 3.34Å; N126-M129 PolarHBondContact O-N 3.41Å; V127-M129 VanDerWaalsContact C-N 3.25Å; V127-M129 PolarHBondContact O-N 3.01Å; M129-L132 HydrophobicContact CE-CD2 4.33Å; M129-L132 PolarHBondContact O-N 3.34Å; M129-L132 HydrophobicContact SD-CD2 4.21Å; M129-A133 WeakPolarHBondContact O-CB 3.34Å; M129-A133 PolarHBondContact O-N 3.06Å; M129-F144 HydrophobicContact CE-CE2 4.47Å |
| 130 | L | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 172.6 | 177.6 | 62.8 | 0 | 0 | 0 | 111.6 | V127 V128 L132 A133 W134 I184 Y187 A188 F191 L212 | V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 3.46Å; V128-L130 VanDerWaalsContact C-N 3.34Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-W134 WeakPolarHBondContact O-CB 3.06Å; L130-W134 PolarHBondContact O-N 3.27Å; L130-I184 HydrophobicContact CD2-CG2 4.28Å; L130-I184 HydrophobicContact CG-CG2 4.19Å; L130-Y187 HydrophobicContact CD1-CD1 4.23Å; L130-Y187 HydrophobicContact CD1-CE1 4.08Å; L130-A188 HydrophobicContact CD1-CB 3.87Å; L130-A188 HydrophobicContact CD2-CB 3.83Å; L130-A188 HydrophobicContact CG-CB 4.43Å; L130-F191 HydrophobicContact CD1-CD1 3.85Å; L130-F191 HydrophobicContact CD1-CE1 4.18Å; L130-L212 HydrophobicContact CD2-CD1 4.04Å; L130-L212 HydrophobicContact CD2-CD2 3.73Å; L130-L212 HydrophobicContact CD2-CG 3.92Å |
| 131 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | V127 V128 W134 K135 L171 V174 L175 I184 | V127-V131 PolarHBondContact O-N 2.85Å; V128-V131 PolarHBondContact O-N 3.17Å; V131-W134 WeakPolarHBondContact O-CB 3.5Å; V131-W134 PolarHBondContact O-N 2.89Å; V131-K135 WeakPolarHBondContact O-CG 3.48Å; V131-K135 PolarHBondContact O-N 3.33Å; V131-L171 HydrophobicContact CG1-CB 4.26Å; V131-L171 HydrophobicContact CG1-CD2 4.28Å; V131-L171 WeakPolarHBondContact CG1-O 3.25Å; V131-V174 HydrophobicContact CG1-CB 4.13Å; V131-V174 HydrophobicContact CG1-CG1 4.35Å; V131-V174 HydrophobicContact CG1-CG2 4.43Å; V131-L175 HydrophobicContact CG2-CD1 3.7Å; V131-L175 HydrophobicContact CG2-CD2 3.84Å; V131-L175 HydrophobicContact CG2-CG 3.65Å; V131-I184 HydrophobicContact CG1-CD1 4.24Å; V131-I184 HydrophobicContact CG2-CD1 4.34Å |
| 132 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 175.7 | -179.9 | 62.3 | 0 | 0 | 0 | 110.9 | F116 V128 M129 L130 W134 K135 L136 M153 L156 L164 L171 | F116-L132 HydrophobicContact CE1-CD2 3.63Å; F116-L132 HydrophobicContact CZ-CD2 3.7Å; V128-L132 PolarHBondContact O-N 2.92Å; M129-L132 HydrophobicContact CE-CD2 4.33Å; M129-L132 PolarHBondContact O-N 3.34Å; M129-L132 HydrophobicContact SD-CD2 4.21Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L132-W134 VanDerWaalsContact C-N 3.26Å; L132-W134 PolarHBondContact O-N 3.49Å; L132-K135 WeakPolarHBondContact O-CA 3.44Å; L132-K135 WeakPolarHBondContact O-CB 3.44Å; L132-K135 PolarHBondContact O-N 3.01Å; L132-L136 HydrophobicContact CD1-CD1 3.57Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 VanDerWaalsContact O-CD1 3.31Å; L132-L136 WeakPolarHBondContact O-CD1 3.3Å; L132-L136 PolarHBondContact O-N 2.99Å; L132-M153 HydrophobicContact CD1-CE 4.29Å; L132-M153 HydrophobicContact CD2-CE 4.48Å; L132-L156 HydrophobicContact CD1-CD1 3.78Å; L132-L164 HydrophobicContact CD1-CD1 4.04Å; L132-L164 HydrophobicContact CD2-CD2 4.01Å; L132-L171 HydrophobicContact CB-CD1 4.29Å; L132-L171 HydrophobicContact CD1-CD1 4.09Å |
| 133 | A | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.2 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M129 L130 K135 L136 D137 A138 F144 Y187 F191 | M129-A133 WeakPolarHBondContact O-CB 3.34Å; M129-A133 PolarHBondContact O-N 3.06Å; L130-A133 PolarHBondContact O-N 3.33Å; A133-K135 PolarHBondContact O-N 3.31Å; A133-L136 CarbonylContact O-C 3.27Å; A133-L136 PolarHBondContact O-N 3.21Å; A133-D137 PolarHBondContact O-N 2.99Å; A133-A138 HydrophobicContact CB-CB 4.21Å; A133-A138 PolarHBondContact O-N 2.74Å; A133-F144 HydrophobicContact CB-CE1 3.84Å; A133-F144 HydrophobicContact CB-CZ 4.09Å; A133-Y187 VanDerWaalsContact C-OH 3.29Å; A133-Y187 HydrophobicContact CB-CE1 4.37Å; A133-Y187 PolarHBondContact O-OH 3.16Å; A133-F191 HydrophobicContact CB-CE1 4.02Å; A133-F191 HydrophobicContact CB-CE2 3.81Å; A133-F191 HydrophobicContact CB-CZ 3.47Å; A133-F191 VanDerWaalsContact CB-CZ 3.47Å |
| 134 | W | 98.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 174.2 | 178.4 | 72.3 | 0 | 0 | 0 | 113.1 | L130 V131 L132 L136 D137 V174 L183 I184 Y187 | L130-W134 WeakPolarHBondContact O-CB 3.06Å; L130-W134 PolarHBondContact O-N 3.27Å; V131-W134 WeakPolarHBondContact O-CB 3.5Å; V131-W134 PolarHBondContact O-N 2.89Å; L132-W134 VanDerWaalsContact C-N 3.26Å; L132-W134 PolarHBondContact O-N 3.49Å; W134-L136 VanDerWaalsContact C-N 3.31Å; W134-L136 PolarHBondContact O-N 2.89Å; W134-D137 PolarHBondContact O-N 3.47Å; W134-D137 VanDerWaalsContact O-N 3.09Å; W134-V174 HydrophobicContact CZ3-CG1 3.97Å; W134-L183 HydrophobicContact CZ2-CB 4.4Å; W134-I184 HydrophobicContact CB-CG1 4.27Å; W134-I184 HydrophobicContact CD2-CD1 4.17Å; W134-I184 HydrophobicContact CD2-CG1 3.51Å; W134-I184 HydrophobicContact CE3-CD1 3.87Å; W134-I184 HydrophobicContact CE3-CG1 3.75Å; W134-I184 HydrophobicContact CG-CG1 3.72Å; W134-I184 HydrophobicContact CZ2-CG1 4.46Å; W134-I184 HydrophobicContact CZ3-CD1 4.17Å; W134-I184 HydrophobicContact CZ3-CG1 4.31Å; W134-Y187 HydrophobicContact CB-CD1 3.74Å; W134-Y187 HydrophobicContact CB-CE1 3.69Å; W134-Y187 HydrophobicContact CB-CG 4.39Å; W134-Y187 AromaticContact CD1-CD1 3.77Å; W134-Y187 AromaticContact CD1-CD2 3.99Å; W134-Y187 AromaticContact CD1-CG 3.55Å; W134-Y187 HydrophobicContact CG-CD1 4.14Å; W134-Y187 HydrophobicContact CG-CE1 4.48Å; W134-Y187 HydrophobicContact CG-CG 4.36Å |
| 135 | K | 98.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.9 | -30.9 | 175.2 | -73.9 | -64.8 | -170.1 | -176 | 0 | 113.1 | V131 L132 A133 L156 L171 | V131-K135 WeakPolarHBondContact O-CG 3.48Å; V131-K135 PolarHBondContact O-N 3.33Å; L132-K135 WeakPolarHBondContact O-CA 3.44Å; L132-K135 WeakPolarHBondContact O-CB 3.44Å; L132-K135 PolarHBondContact O-N 3.01Å; A133-K135 PolarHBondContact O-N 3.31Å; K135-L156 HydrophobicContact CB-CD1 4.18Å; K135-L156 HydrophobicContact CD-CD2 4.41Å; K135-L156 HydrophobicContact CG-CD2 4.29Å; K135-L171 HydrophobicContact CG-CD2 3.84Å |
| 136 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.8 | -13.7 | 173.2 | -87.9 | 61.9 | 0 | 0 | 0 | 112.2 | L132 A133 W134 A138 F144 E148 W149 R151 M153 L156 | L132-L136 HydrophobicContact CD1-CD1 3.57Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 VanDerWaalsContact O-CD1 3.31Å; L132-L136 WeakPolarHBondContact O-CD1 3.3Å; L132-L136 PolarHBondContact O-N 2.99Å; A133-L136 CarbonylContact O-C 3.27Å; A133-L136 PolarHBondContact O-N 3.21Å; W134-L136 VanDerWaalsContact C-N 3.31Å; W134-L136 PolarHBondContact O-N 2.89Å; L136-A138 HydrophobicContact CB-CB 4.49Å; L136-F144 HydrophobicContact CD2-CD1 3.95Å; L136-F144 HydrophobicContact CD2-CD2 4.01Å; L136-F144 HydrophobicContact CD2-CE1 4.13Å; L136-F144 HydrophobicContact CD2-CE2 4.16Å; L136-F144 HydrophobicContact CD2-CG 3.92Å; L136-F144 HydrophobicContact CD2-CZ 4.23Å; L136-E148 HydrophobicContact CB-CB 4.43Å; L136-W149 HydrophobicContact CD2-CE3 4.34Å; L136-R151 PolarHBondContact O-NH2 3.27Å; L136-M153 HydrophobicContact CD1-CE 4.33Å; L136-M153 HydrophobicContact CD1-SD 4.46Å; L136-M153 HydrophobicContact CD2-CE 4.3Å; L136-L156 HydrophobicContact CD1-CD1 4.44Å |
| 137 | D | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 47.5 | -168.9 | 174.4 | 54.9 | 0 | 0 | 0 | 110.1 | A133 W134 Q139 R151 | A133-D137 PolarHBondContact O-N 2.99Å; W134-D137 PolarHBondContact O-N 3.47Å; W134-D137 VanDerWaalsContact O-N 3.09Å; D137-Q139 PolarHBondContact O-NE2 3.46Å; D137-Q139 PolarHBondContact OD1-NE2 2.87Å; D137-R151 PolarHBondContact O-NH2 3.48Å; D137-R151 IonicContact OD2-CZ 3.19Å; D137-R151 IonicContact OD2-NH1 2.71Å; D137-R151 IonicContact OD2-NH2 2.86Å; D137-R151 PolarHBondContact OD2-NH2 2.78Å; D137-R151 VanDerWaalsContact OD2-NH2 3.07Å |
| 138 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -70.8 | 134.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | A133 L136 F144 E148 Y187 F191 | A133-A138 HydrophobicContact CB-CB 4.21Å; A133-A138 PolarHBondContact O-N 2.74Å; L136-A138 HydrophobicContact CB-CB 4.49Å; A138-F144 HydrophobicContact CB-CD1 3.61Å; A138-F144 HydrophobicContact CB-CE1 3.57Å; A138-E148 WeakPolarHBondContact CA-OE1 3.48Å; A138-Y187 WeakPolarHBondContact O-CE2 3.26Å; A138-Y187 PolarHBondContact O-OH 3.17Å; A138-F191 HydrophobicContact CB-CD2 4.47Å; A138-F191 HydrophobicContact CB-CE2 3.93Å | ||
| 139 | Q | 97.4 | Very high | 98 | Very high | 120 Ų | 120 | 40.3 Ų | 40.3 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -86.2 | -26.1 | -173.5 | -61 | -55.1 | -64 | 0 | 0 | 114.2 | D137 E148 | D137-Q139 PolarHBondContact O-NE2 3.46Å; D137-Q139 PolarHBondContact OD1-NE2 2.87Å; Q139-E148 WeakPolarHBondContact CG-OE1 3.34Å; Q139-E148 PolarHBondContact N-OE1 2.78Å |
| 140 | S | 95.2 | Very high | 98 | Very high | 66 Ų | 66 | 42 Ų | 42 | 46% | 0.462 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -137.8 | 131 | -172 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | G142 Y143 F191 | S140-G142 PolarHBondContact O-N 3.05Å; S140-Y143 PolarHBondContact O-N 3.31Å; S140-F191 VanDerWaalsContact C-CE2 3.41Å; S140-F191 WeakPolarHBondContact O-CE2 3.36Å |
| 141 | M | 95.6 | Very high | 98 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 133.2 | 176.1 | -176.2 | 173.3 | 66.7 | 0 | 0 | 112.6 | Y143 F191 A192 T204 | M141-Y143 VanDerWaalsContact C-N 3.34Å; M141-Y143 VanDerWaalsContact O-CD2 3.28Å; M141-Y143 WeakPolarHBondContact O-CD2 3.47Å; M141-F191 VanDerWaalsContact CA-CZ 3.43Å; M141-F191 HydrophobicContact CB-CD1 4.03Å; M141-F191 HydrophobicContact CB-CD2 4.49Å; M141-F191 HydrophobicContact CB-CE1 3.79Å; M141-F191 HydrophobicContact CB-CE2 4.28Å; M141-F191 HydrophobicContact CB-CG 4.4Å; M141-F191 HydrophobicContact CB-CZ 3.95Å; M141-F191 WeakPolarHBondContact CB-O 3.49Å; M141-F191 HydrophobicContact CG-CD1 4.39Å; M141-F191 HydrophobicContact CG-CE1 3.85Å; M141-F191 HydrophobicContact CG-CZ 4.23Å; M141-F191 PolarHBondContact N-O 3.49Å; M141-A192 HydrophobicContact CE-CB 4.07Å; M141-A192 HydrophobicContact SD-CB 3.9Å; M141-T204 HydrophobicContact CE-CG2 3.95Å |
| 142 | G | 95.6 | Very high | 98 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 4.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G109 I113 S140 | G109-G142 CarbonylContact C-O 3.59Å; I113-G142 WeakPolarHBondContact CG1-O 3.28Å; S140-G142 PolarHBondContact O-N 3.05Å |
| 143 | Y | 97.8 | Very high | 98 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | trans | -135.5 | 139.1 | -179.7 | -59.4 | -92.3 | 0 | 0 | 0 | 112.1 | V107 V108 P110 S140 M141 | V107-Y143 HydrophobicContact CG1-CD1 3.9Å; V108-Y143 VanDerWaalsContact O-CA 3.25Å; V108-Y143 WeakPolarHBondContact O-CA 3.36Å; P110-Y143 HydrophobicContact CG-CE1 4.33Å; P110-Y143 HydrophobicContact CG-CE2 4.42Å; S140-Y143 PolarHBondContact O-N 3.31Å; M141-Y143 VanDerWaalsContact C-N 3.34Å; M141-Y143 VanDerWaalsContact O-CD2 3.28Å; M141-Y143 WeakPolarHBondContact O-CD2 3.47Å | ||
| 144 | F | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.6 | 164.2 | -64.9 | -37.5 | 0 | 0 | 0 | 110.2 | V107 V108 I113 F116 M129 A133 L136 A138 W149 | V107-F144 CarbonylContact C-O 3.48Å; V107-F144 WeakPolarHBondContact CA-O 3.42Å; V108-F144 HydrophobicContact CB-CB 4.39Å; V108-F144 PolarHBondContact N-O 3.23Å; V108-F144 PolarHBondContact O-N 3.3Å; I113-F144 HydrophobicContact CD1-CD2 3.33Å; I113-F144 HydrophobicContact CD1-CE2 3.58Å; I113-F144 HydrophobicContact CD1-CG 4.01Å; I113-F144 HydrophobicContact CD1-CZ 4.41Å; F116-F144 HydrophobicContact CE1-CE2 4.23Å; M129-F144 HydrophobicContact CE-CE2 4.47Å; A133-F144 HydrophobicContact CB-CE1 3.84Å; A133-F144 HydrophobicContact CB-CZ 4.09Å; L136-F144 HydrophobicContact CD2-CD1 3.95Å; L136-F144 HydrophobicContact CD2-CD2 4.01Å; L136-F144 HydrophobicContact CD2-CE1 4.13Å; L136-F144 HydrophobicContact CD2-CE2 4.16Å; L136-F144 HydrophobicContact CD2-CG 3.92Å; L136-F144 HydrophobicContact CD2-CZ 4.23Å; A138-F144 HydrophobicContact CB-CD1 3.61Å; A138-F144 HydrophobicContact CB-CE1 3.57Å; F144-W149 HydrophobicContact CB-CE3 4.37Å; F144-W149 HydrophobicContact CD2-CE3 4.06Å; F144-W149 HydrophobicContact CD2-CZ3 4.11Å |
| 145 | T | 98.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 158.9 | 172 | 66.4 | 0 | 0 | 0 | 0 | 111 | V107 Q147 E148 W149 | V107-T145 HydrophobicContact CG2-CG2 4.29Å; T145-Q147 PolarHBondContact O-N 2.75Å; T145-E148 WeakPolarHBondContact CB-OE2 3.11Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.35Å; T145-E148 PolarHBondContact N-OE2 3.01Å; T145-E148 PolarHBondContact O-N 2.81Å; T145-E148 WeakPolarHBondContact OG1-CB 3.35Å; T145-E148 WeakPolarHBondContact OG1-CG 3.38Å; T145-E148 PolarHBondContact OG1-N 3Å; T145-E148 PolarHBondContact OG1-OE2 3.11Å; T145-W149 WeakPolarHBondContact O-CB 3.39Å; T145-W149 PolarHBondContact O-N 2.69Å |
| 146 | L | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.5 | -41.5 | 174.9 | 177.5 | 62.1 | 0 | 0 | 0 | 112.5 | L95 F98 D106 L150 | L95-L146 HydrophobicContact CD1-CD1 3.44Å; L95-L146 VanDerWaalsContact CD1-CD1 3.44Å; L95-L146 HydrophobicContact CD1-CD2 4.39Å; L95-L146 HydrophobicContact CD1-CG 4.49Å; F98-L146 HydrophobicContact CB-CD1 4.49Å; F98-L146 HydrophobicContact CD1-CD1 3.5Å; F98-L146 HydrophobicContact CD2-CD1 4.37Å; F98-L146 HydrophobicContact CE1-CB 3.88Å; F98-L146 HydrophobicContact CE1-CD1 3.7Å; F98-L146 HydrophobicContact CE1-CG 4.34Å; F98-L146 HydrophobicContact CE2-CB 4.33Å; F98-L146 HydrophobicContact CG-CD1 3.87Å; F98-L146 VanDerWaalsContact CZ-CA 3.48Å; F98-L146 HydrophobicContact CZ-CB 3.76Å; F98-L146 HydrophobicContact CZ-CD1 4.2Å; D106-L146 HydrophobicContact CB-CB 4.23Å; D106-L146 PolarHBondContact O-N 2.65Å; L146-L150 HydrophobicContact CD1-CD1 3.81Å; L146-L150 HydrophobicContact CD1-CD2 4.47Å; L146-L150 HydrophobicContact CD1-CG 3.89Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.86Å |
| 147 | Q | 98.5 | Very high | 97.9 | Very high | 135 Ų | 135 | 53 Ų | 53 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70 | -43.6 | -177.9 | -64.9 | -58.6 | -43.3 | 0 | 0 | 112.4 | T145 W149 R151 | T145-Q147 PolarHBondContact O-N 2.75Å; Q147-W149 VanDerWaalsContact C-N 3.33Å; Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 PolarHBondContact O-N 3.32Å; Q147-R151 VanDerWaalsContact O-N 3.08Å |
| 148 | E | 98.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.4 | -70.7 | 159.7 | 159 | 0 | 0 | 110.5 | L136 A138 Q139 T145 G152 | L136-E148 HydrophobicContact CB-CB 4.43Å; A138-E148 WeakPolarHBondContact CA-OE1 3.48Å; Q139-E148 WeakPolarHBondContact CG-OE1 3.34Å; Q139-E148 PolarHBondContact N-OE1 2.78Å; T145-E148 WeakPolarHBondContact CB-OE2 3.11Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.35Å; T145-E148 PolarHBondContact N-OE2 3.01Å; T145-E148 PolarHBondContact O-N 2.81Å; T145-E148 WeakPolarHBondContact OG1-CB 3.35Å; T145-E148 WeakPolarHBondContact OG1-CG 3.38Å; T145-E148 PolarHBondContact OG1-N 3Å; T145-E148 PolarHBondContact OG1-OE2 3.11Å; E148-G152 PolarHBondContact O-N 2.83Å |
| 149 | W | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -58.6 | 178.2 | -174.9 | -83.1 | 0 | 0 | 0 | 112 | C94 W97 F98 Y101 F116 L136 F144 T145 Q147 R151 G152 M153 | C94-W149 PolarHBondContact O-NE1 2.75Å; W97-W149 AromaticContact CD2-CZ2 3.68Å; W97-W149 HydrophobicContact CD2-CZ2 3.68Å; W97-W149 AromaticContact CE2-CZ2 3.95Å; W97-W149 AromaticContact CE3-CZ2 3.51Å; W97-W149 HydrophobicContact CE3-CZ2 3.51Å; W97-W149 AromaticContact CE3-NE1 3.99Å; W97-W149 HydrophobicContact CG-CZ2 4.36Å; W97-W149 HydrophobicContact CH2-CH2 4.3Å; W97-W149 AromaticContact CH2-CZ2 3.91Å; W97-W149 HydrophobicContact CH2-CZ2 3.91Å; W97-W149 HydrophobicContact CZ2-CH2 4.31Å; W97-W149 HydrophobicContact CZ2-CZ2 4.07Å; W97-W149 HydrophobicContact CZ3-CH2 4.45Å; W97-W149 AromaticContact CZ3-CZ2 3.63Å; W97-W149 HydrophobicContact CZ3-CZ2 3.63Å; F98-W149 HydrophobicContact CB-CD2 4.43Å; F98-W149 HydrophobicContact CB-CG 4.22Å; F98-W149 HydrophobicContact CD2-CB 3.61Å; F98-W149 AromaticContact CD2-CD1 3.9Å; F98-W149 AromaticContact CD2-CD2 3.73Å; F98-W149 HydrophobicContact CD2-CD2 3.73Å; F98-W149 HydrophobicContact CD2-CE3 4.18Å; F98-W149 AromaticContact CD2-CG 3.49Å; F98-W149 HydrophobicContact CD2-CG 3.49Å; F98-W149 VanDerWaalsContact CD2-CG 3.49Å; F98-W149 HydrophobicContact CE2-CB 3.97Å; F98-W149 HydrophobicContact CE2-CG 4.31Å; F98-W149 HydrophobicContact CG-CG 4.28Å; Y101-W149 AromaticContact CD2-CH2 3.89Å; Y101-W149 HydrophobicContact CD2-CH2 3.89Å; Y101-W149 HydrophobicContact CD2-CZ2 4.36Å; Y101-W149 HydrophobicContact CE2-CH2 4.03Å; Y101-W149 HydrophobicContact CE2-CZ2 4.41Å; F116-W149 AromaticContact CD2-CH2 3.7Å; F116-W149 HydrophobicContact CD2-CH2 3.7Å; F116-W149 HydrophobicContact CD2-CZ3 4.24Å; F116-W149 HydrophobicContact CE1-CZ3 4.34Å; F116-W149 AromaticContact CE2-CH2 3.44Å; F116-W149 HydrophobicContact CE2-CH2 3.44Å; F116-W149 VanDerWaalsContact CE2-CH2 3.44Å; F116-W149 HydrophobicContact CE2-CZ2 4.41Å; F116-W149 AromaticContact CE2-CZ3 4Å; F116-W149 HydrophobicContact CE2-CZ3 4Å; F116-W149 HydrophobicContact CG-CH2 4.36Å; F116-W149 HydrophobicContact CG-CZ3 4.49Å; F116-W149 AromaticContact CZ-CH2 3.91Å; F116-W149 HydrophobicContact CZ-CH2 3.91Å; F116-W149 HydrophobicContact CZ-CZ3 4.02Å; L136-W149 HydrophobicContact CD2-CE3 4.34Å; F144-W149 HydrophobicContact CB-CE3 4.37Å; F144-W149 HydrophobicContact CD2-CE3 4.06Å; F144-W149 HydrophobicContact CD2-CZ3 4.11Å; T145-W149 WeakPolarHBondContact O-CB 3.39Å; T145-W149 PolarHBondContact O-N 2.69Å; Q147-W149 VanDerWaalsContact C-N 3.33Å; W149-R151 VanDerWaalsContact C-N 3.29Å; W149-R151 PolarHBondContact O-N 3.22Å; W149-G152 PolarHBondContact O-N 2.99Å; W149-M153 HydrophobicContact CD2-CE 3.89Å; W149-M153 HydrophobicContact CD2-CG 3.96Å; W149-M153 HydrophobicContact CE3-CE 3.8Å; W149-M153 HydrophobicContact CG-CG 3.98Å; W149-M153 HydrophobicContact CH2-CE 3.79Å; W149-M153 HydrophobicContact CZ2-CE 3.87Å; W149-M153 HydrophobicContact CZ3-CE 3.74Å; W149-M153 WeakPolarHBondContact O-CB 3.28Å; W149-M153 WeakPolarHBondContact O-CG 3.4Å; W149-M153 PolarHBondContact O-N 3.02Å |
| 150 | L | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -40.3 | -176.3 | -69.2 | 179.2 | 0 | 0 | 0 | 112.2 | C94 L95 L146 G154 | C94-L150 HydrophobicContact CB-CD2 4.35Å; L95-L150 HydrophobicContact CB-CD2 4.23Å; L95-L150 HydrophobicContact CD1-CD1 4.31Å; L95-L150 HydrophobicContact CD1-CD2 4.36Å; L146-L150 HydrophobicContact CD1-CD1 3.81Å; L146-L150 HydrophobicContact CD1-CD2 4.47Å; L146-L150 HydrophobicContact CD1-CG 3.89Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.86Å; L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 2.99Å |
| 151 | R | 98.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 44 Ų | 44 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.7 | -50.3 | 177.4 | 178.5 | -177.9 | 62 | -162.2 | 1.5 | 111.8 | L136 D137 Q147 W149 S155 | L136-R151 PolarHBondContact O-NH2 3.27Å; D137-R151 PolarHBondContact O-NH2 3.48Å; D137-R151 IonicContact OD2-CZ 3.19Å; D137-R151 IonicContact OD2-NH1 2.71Å; D137-R151 IonicContact OD2-NH2 2.86Å; D137-R151 PolarHBondContact OD2-NH2 2.78Å; D137-R151 VanDerWaalsContact OD2-NH2 3.07Å; Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 PolarHBondContact O-N 3.32Å; Q147-R151 VanDerWaalsContact O-N 3.08Å; W149-R151 VanDerWaalsContact C-N 3.29Å; W149-R151 PolarHBondContact O-N 3.22Å; R151-S155 WeakPolarHBondContact O-CB 3.47Å; R151-S155 PolarHBondContact O-N 2.6Å; R151-S155 PolarHBondContact O-OG 3.35Å |
| 152 | G | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -51 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E148 W149 G154 S155 L156 | E148-G152 PolarHBondContact O-N 2.83Å; W149-G152 PolarHBondContact O-N 2.99Å; G152-G154 VanDerWaalsContact C-N 3.33Å; G152-G154 PolarHBondContact O-N 3.32Å; G152-S155 WeakPolarHBondContact O-CB 3.2Å; G152-S155 PolarHBondContact O-N 2.8Å; G152-S155 VanDerWaalsContact O-N 3.12Å; G152-L156 WeakPolarHBondContact O-CG 3.41Å; G152-L156 PolarHBondContact O-N 3.4Å |
| 153 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -37.9 | 178.8 | -64.8 | -61.3 | -175.3 | 0 | 0 | 111.9 | C94 W97 F116 L132 L136 W149 L156 Q157 C158 L164 | C94-M153 VanDerWaalsContact SG-CB 3.59Å; W97-M153 HydrophobicContact CH2-CE 4.09Å; W97-M153 HydrophobicContact CH2-SD 4.19Å; W97-M153 HydrophobicContact CZ3-CE 4.11Å; W97-M153 HydrophobicContact CZ3-CG 4.28Å; W97-M153 HydrophobicContact CZ3-SD 3.85Å; F116-M153 HydrophobicContact CE2-CE 4.47Å; F116-M153 HydrophobicContact CZ-CE 3.98Å; L132-M153 HydrophobicContact CD1-CE 4.29Å; L132-M153 HydrophobicContact CD2-CE 4.48Å; L136-M153 HydrophobicContact CD1-CE 4.33Å; L136-M153 HydrophobicContact CD1-SD 4.46Å; L136-M153 HydrophobicContact CD2-CE 4.3Å; W149-M153 HydrophobicContact CD2-CE 3.89Å; W149-M153 HydrophobicContact CD2-CG 3.96Å; W149-M153 HydrophobicContact CE3-CE 3.8Å; W149-M153 HydrophobicContact CG-CG 3.98Å; W149-M153 HydrophobicContact CH2-CE 3.79Å; W149-M153 HydrophobicContact CZ2-CE 3.87Å; W149-M153 HydrophobicContact CZ3-CE 3.74Å; W149-M153 WeakPolarHBondContact O-CB 3.28Å; W149-M153 WeakPolarHBondContact O-CG 3.4Å; W149-M153 PolarHBondContact O-N 3.02Å; M153-L156 CarbonylContact O-C 3.39Å; M153-L156 PolarHBondContact O-N 3.26Å; M153-Q157 PolarHBondContact O-N 2.89Å; M153-C158 WeakPolarHBondContact CB-O 3.36Å; M153-C158 PolarHBondContact O-N 3.28Å; M153-C158 HydrophobicContact SD-CB 4.3Å; M153-L164 HydrophobicContact CE-CD2 4.03Å; M153-L164 HydrophobicContact SD-CD2 4.44Å |
| 154 | G | 98.1 | Very high | 98.3 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L150 G152 L156 Q157 | L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 2.99Å; G152-G154 VanDerWaalsContact C-N 3.33Å; G152-G154 PolarHBondContact O-N 3.32Å; G154-L156 VanDerWaalsContact C-N 3.31Å; G154-L156 PolarHBondContact O-N 3.21Å; G154-Q157 PolarHBondContact O-N 3.03Å; G154-Q157 VanDerWaalsContact O-N 3.15Å; G154-Q157 PolarHBondContact O-NE2 3.22Å |
| 155 | S | 97.8 | Very high | 98.3 | Very high | 96 Ų | 96 | 49 Ų | 49 | 67% | 0.671 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.6 | -33.7 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | R151 G152 Q157 | R151-S155 WeakPolarHBondContact O-CB 3.47Å; R151-S155 PolarHBondContact O-N 2.6Å; R151-S155 PolarHBondContact O-OG 3.35Å; G152-S155 WeakPolarHBondContact O-CB 3.2Å; G152-S155 PolarHBondContact O-N 2.8Å; G152-S155 VanDerWaalsContact O-N 3.12Å; S155-Q157 VanDerWaalsContact C-N 3.28Å |
| 156 | L | 97.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.1 | 174.8 | -67.5 | 173.1 | 0 | 0 | 0 | 113.5 | L132 K135 L136 G152 M153 G154 C158 Y170 L171 | L132-L156 HydrophobicContact CD1-CD1 3.78Å; K135-L156 HydrophobicContact CB-CD1 4.18Å; K135-L156 HydrophobicContact CD-CD2 4.41Å; K135-L156 HydrophobicContact CG-CD2 4.29Å; L136-L156 HydrophobicContact CD1-CD1 4.44Å; G152-L156 WeakPolarHBondContact O-CG 3.41Å; G152-L156 PolarHBondContact O-N 3.4Å; M153-L156 CarbonylContact O-C 3.39Å; M153-L156 PolarHBondContact O-N 3.26Å; G154-L156 VanDerWaalsContact C-N 3.31Å; G154-L156 PolarHBondContact O-N 3.21Å; L156-C158 HydrophobicContact CB-CB 4.35Å; L156-C158 PolarHBondContact O-N 3.2Å; L156-C158 PolarHBondContact O-SG 3.36Å; L156-Y170 HydrophobicContact CD2-CE1 4.14Å; L156-L171 HydrophobicContact CD1-CD2 4.42Å; L156-L171 HydrophobicContact CD2-CD2 4.01Å |
| 157 | Q | 97.8 | Very high | 98.2 | Very high | 110 Ų | 110 | 52.8 Ų | 52.8 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.9 | -173.3 | -60.2 | -70.2 | -63.9 | 0 | 0 | 112.9 | F89 M153 G154 S155 | F89-Q157 VanDerWaalsContact CB-OE1 3.32Å; M153-Q157 PolarHBondContact O-N 2.89Å; G154-Q157 PolarHBondContact O-N 3.03Å; G154-Q157 VanDerWaalsContact O-N 3.15Å; G154-Q157 PolarHBondContact O-NE2 3.22Å; S155-Q157 VanDerWaalsContact C-N 3.28Å |
| 158 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -109.5 | 117.4 | 178.7 | -68 | 0 | 0 | 0 | 0 | 109.6 | F89 M153 L156 R163 L164 S167 | F89-C158 WeakPolarHBondContact CE2-O 3.48Å; M153-C158 WeakPolarHBondContact CB-O 3.36Å; M153-C158 PolarHBondContact O-N 3.28Å; M153-C158 HydrophobicContact SD-CB 4.3Å; L156-C158 HydrophobicContact CB-CB 4.35Å; L156-C158 PolarHBondContact O-N 3.2Å; L156-C158 PolarHBondContact O-SG 3.36Å; C158-R163 HydrophobicContact CB-CB 4.26Å; C158-L164 HydrophobicContact CB-CB 4.32Å; C158-S167 PolarHBondContact SG-OG 2.88Å; C158-S167 VanDerWaalsContact SG-OG 3.42Å | ||
| 159 | D | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | trans | -123.7 | 15.9 | 175.6 | 63.1 | -5.4 | 0 | 0 | 0 | 112.8 | F89 S90 R93 C94 R163 | F89-D159 HydrophobicContact CD2-CB 3.69Å; F89-D159 HydrophobicContact CE2-CB 3.75Å; S90-D159 WeakPolarHBondContact CB-OD2 3.5Å; S90-D159 PolarHBondContact N-OD2 3.45Å; R93-D159 HydrophobicContact CB-CB 4.14Å; R93-D159 IonicContact CZ-OD1 3.95Å; R93-D159 IonicContact CZ-OD2 3.07Å; R93-D159 IonicContact NE-OD1 2.78Å; R93-D159 IonicContact NE-OD2 2.75Å; R93-D159 PolarHBondContact NE-OD2 3.36Å; R93-D159 IonicContact NH2-OD1 2.78Å; R93-D159 PolarHBondContact NH2-OD1 2.85Å; R93-D159 IonicContact NH2-OD2 2.69Å; R93-D159 PolarHBondContact NH2-OD2 2.9Å; C94-D159 HydrophobicContact CB-CB 3.84Å; D159-R163 WeakPolarHBondContact OD1-CD 3.33Å; D159-R163 IonicContact OD1-CZ 3.84Å; D159-R163 IonicContact OD1-NE 2.88Å; D159-R163 PolarHBondContact OD1-NE 3.1Å | ||
| 160 | S | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -158.7 | 161.1 | 177.7 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | E162 R163 L164 | S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 3.48Å; S160-R163 PolarHBondContact O-N 2.87Å; S160-R163 PolarHBondContact OG-N 3.25Å; S160-L164 PolarHBondContact O-N 2.88Å; S160-L164 VanDerWaalsContact O-N 3.14Å |
| 161 | T | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.8 | -43 | 173.8 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | W97 D119 I120 L164 R165 | W97-T161 PolarHBondContact NE1-OG1 3.33Å; D119-T161 HydrophobicContact CB-CG2 4.18Å; D119-T161 WeakPolarHBondContact O-CG2 3.43Å; I120-T161 HydrophobicContact CG2-CG2 4.05Å; T161-L164 PolarHBondContact O-N 3.43Å; T161-R165 HydrophobicContact CG2-CG 4.47Å; T161-R165 WeakPolarHBondContact O-CB 3.47Å; T161-R165 WeakPolarHBondContact O-CG 3.19Å; T161-R165 PolarHBondContact O-N 2.85Å |
| 162 | E | 97.8 | Very high | 98 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | -179.2 | -174.9 | -178.3 | 176.9 | 0 | 0 | 112.1 | S160 L164 R165 N166 | S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 3.48Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.39Å; E162-R165 PolarHBondContact O-N 2.85Å; E162-N166 VanDerWaalsContact O-CG 3.27Å; E162-N166 PolarHBondContact O-N 3.09Å; E162-N166 PolarHBondContact O-ND2 2.88Å |
| 163 | R | 97.7 | Very high | 98 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178.9 | -71.9 | -177.6 | -175.2 | -96.7 | -11.1 | 112.2 | E86 E87 C158 D159 S160 N166 S167 | E86-R163 PolarHBondContact O-NH2 3.3Å; E87-R163 VanDerWaalsContact CA-NH2 3.27Å; E87-R163 VanDerWaalsContact O-CZ 3.31Å; E87-R163 PolarHBondContact O-NH1 3.42Å; E87-R163 PolarHBondContact O-NH2 2.89Å; C158-R163 HydrophobicContact CB-CB 4.26Å; D159-R163 WeakPolarHBondContact OD1-CD 3.33Å; D159-R163 IonicContact OD1-CZ 3.84Å; D159-R163 IonicContact OD1-NE 2.88Å; D159-R163 PolarHBondContact OD1-NE 3.1Å; S160-R163 PolarHBondContact O-N 2.87Å; S160-R163 PolarHBondContact OG-N 3.25Å; R163-N166 PolarHBondContact O-N 3.48Å; R163-S167 PolarHBondContact O-N 2.94Å; R163-S167 VanDerWaalsContact O-N 3.14Å; R163-S167 PolarHBondContact O-OG 3.18Å |
| 164 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68 | -43.1 | 177.5 | -178.5 | 60.8 | 0 | 0 | 0 | 111.4 | W97 F116 I120 L132 M153 C158 S160 T161 E162 N166 S167 L168 L171 | W97-L164 HydrophobicContact CH2-CB 3.87Å; W97-L164 HydrophobicContact CH2-CD2 3.79Å; W97-L164 HydrophobicContact CH2-CG 4.48Å; W97-L164 HydrophobicContact CZ2-CD2 4.4Å; F116-L164 HydrophobicContact CE1-CD2 4.48Å; F116-L164 HydrophobicContact CE2-CD2 3.69Å; F116-L164 HydrophobicContact CZ-CD2 3.34Å; I120-L164 HydrophobicContact CD1-CD2 4.3Å; I120-L164 HydrophobicContact CG2-CD2 3.99Å; I120-L164 HydrophobicContact CG2-CG 4.49Å; L132-L164 HydrophobicContact CD1-CD1 4.04Å; L132-L164 HydrophobicContact CD2-CD2 4.01Å; M153-L164 HydrophobicContact CE-CD2 4.03Å; M153-L164 HydrophobicContact SD-CD2 4.44Å; C158-L164 HydrophobicContact CB-CB 4.32Å; S160-L164 PolarHBondContact O-N 2.88Å; S160-L164 VanDerWaalsContact O-N 3.14Å; T161-L164 PolarHBondContact O-N 3.43Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.39Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 2.99Å; L164-S167 CarbonylContact O-C 3.53Å; L164-S167 WeakPolarHBondContact O-CA 3.48Å; L164-S167 WeakPolarHBondContact O-CB 3.49Å; L164-S167 PolarHBondContact O-N 3.23Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.25Å; L164-L168 VanDerWaalsContact O-N 3.13Å; L164-L171 HydrophobicContact CD1-CD1 4.11Å |
| 165 | R | 98.5 | Very high | 97.8 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 48% | 0.475 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -53.1 | -46.6 | 172.9 | -80.7 | 177.6 | 173.5 | -176.2 | -5 | 111.4 | D119 I120 T161 E162 S167 L168 | D119-R165 PolarHBondContact O-NE 2.96Å; D119-R165 PolarHBondContact O-NH2 3.4Å; I120-R165 HydrophobicContact CB-CG 4.19Å; I120-R165 WeakPolarHBondContact O-CG 3.47Å; T161-R165 HydrophobicContact CG2-CG 4.47Å; T161-R165 WeakPolarHBondContact O-CB 3.47Å; T161-R165 WeakPolarHBondContact O-CG 3.19Å; T161-R165 PolarHBondContact O-N 2.85Å; E162-R165 PolarHBondContact O-N 2.85Å; R165-S167 PolarHBondContact O-N 3.46Å; R165-L168 WeakPolarHBondContact O-CB 3.18Å; R165-L168 WeakPolarHBondContact O-CG 3.44Å; R165-L168 PolarHBondContact O-N 3.19Å |
| 166 | N | 97.6 | Very high | 97.7 | Very high | 123 Ų | 123 | 58.8 Ų | 58.8 | 66% | 0.658 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.8 | -19.2 | 177.1 | -67.8 | -22.6 | 0 | 0 | 0 | 113.5 | E162 R163 L164 | E162-N166 VanDerWaalsContact O-CG 3.27Å; E162-N166 PolarHBondContact O-N 3.09Å; E162-N166 PolarHBondContact O-ND2 2.88Å; R163-N166 PolarHBondContact O-N 3.48Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 2.99Å |
| 167 | S | 97.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -95.1 | -7.1 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | C158 R163 L164 R165 D169 Y170 L171 | C158-S167 PolarHBondContact SG-OG 2.88Å; C158-S167 VanDerWaalsContact SG-OG 3.42Å; R163-S167 PolarHBondContact O-N 2.94Å; R163-S167 VanDerWaalsContact O-N 3.14Å; R163-S167 PolarHBondContact O-OG 3.18Å; L164-S167 CarbonylContact O-C 3.53Å; L164-S167 WeakPolarHBondContact O-CA 3.48Å; L164-S167 WeakPolarHBondContact O-CB 3.49Å; L164-S167 PolarHBondContact O-N 3.23Å; R165-S167 PolarHBondContact O-N 3.46Å; S167-D169 VanDerWaalsContact C-N 3.31Å; S167-D169 PolarHBondContact O-N 3Å; S167-Y170 WeakPolarHBondContact O-CB 3.38Å; S167-Y170 PolarHBondContact O-N 3.41Å; S167-Y170 VanDerWaalsContact O-N 3.16Å; S167-L171 WeakPolarHBondContact O-CG 3.38Å; S167-L171 PolarHBondContact O-N 3.44Å |
| 168 | L | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | -176.3 | -68.6 | 177.9 | 0 | 0 | 0 | 112.7 | V122 V128 L164 R165 L171 R172 | V122-L168 HydrophobicContact CG1-CD1 3.79Å; V128-L168 HydrophobicContact CG1-CD2 4.33Å; V128-L168 HydrophobicContact CG2-CD2 3.96Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.25Å; L164-L168 VanDerWaalsContact O-N 3.13Å; R165-L168 WeakPolarHBondContact O-CB 3.18Å; R165-L168 WeakPolarHBondContact O-CG 3.44Å; R165-L168 PolarHBondContact O-N 3.19Å; L168-L171 HydrophobicContact CD2-CD1 4.31Å; L168-L171 PolarHBondContact O-N 2.64Å; L168-R172 WeakPolarHBondContact O-CG 3.24Å; L168-R172 PolarHBondContact O-N 3.29Å |
| 169 | D | 97.8 | Very high | 97.4 | Very high | 115 Ų | 115 | 63.8 Ų | 63.8 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.4 | -37.2 | 178 | -71.3 | -21.6 | 0 | 0 | 0 | 112 | S167 R172 S173 | S167-D169 VanDerWaalsContact C-N 3.31Å; S167-D169 PolarHBondContact O-N 3Å; D169-R172 PolarHBondContact O-N 3.46Å; D169-R172 IonicContact OD1-CZ 3.88Å; D169-R172 IonicContact OD1-NH1 3.61Å; D169-R172 PolarHBondContact OD1-NH1 3.43Å; D169-S173 PolarHBondContact O-N 3.04Å |
| 170 | Y | 98.1 | Very high | 97.4 | Very high | 120 Ų | 120 | 64.9 Ų | 64.9 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 169.9 | 163 | -110.6 | 0 | 0 | 0 | 110.9 | L156 S167 R172 S173 V174 | L156-Y170 HydrophobicContact CD2-CE1 4.14Å; S167-Y170 WeakPolarHBondContact O-CB 3.38Å; S167-Y170 PolarHBondContact O-N 3.41Å; S167-Y170 VanDerWaalsContact O-N 3.16Å; Y170-R172 VanDerWaalsContact C-N 3.32Å; Y170-R172 PolarHBondContact O-N 3.2Å; Y170-S173 WeakPolarHBondContact O-CB 3.25Å; Y170-S173 PolarHBondContact O-N 2.98Å; Y170-S173 PolarHBondContact O-OG 2.73Å; Y170-V174 HydrophobicContact CE2-CG2 4.36Å; Y170-V174 PolarHBondContact O-N 3.3Å |
| 171 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 177.5 | -66.4 | 175.5 | 0 | 0 | 0 | 111.7 | V128 V131 L132 K135 L156 L164 S167 L168 S173 V174 | V128-L171 HydrophobicContact CG2-CB 3.73Å; V128-L171 HydrophobicContact CG2-CD1 4.36Å; V131-L171 HydrophobicContact CG1-CB 4.26Å; V131-L171 HydrophobicContact CG1-CD2 4.28Å; V131-L171 WeakPolarHBondContact CG1-O 3.25Å; L132-L171 HydrophobicContact CB-CD1 4.29Å; L132-L171 HydrophobicContact CD1-CD1 4.09Å; K135-L171 HydrophobicContact CG-CD2 3.84Å; L156-L171 HydrophobicContact CD1-CD2 4.42Å; L156-L171 HydrophobicContact CD2-CD2 4.01Å; L164-L171 HydrophobicContact CD1-CD1 4.11Å; S167-L171 WeakPolarHBondContact O-CG 3.38Å; S167-L171 PolarHBondContact O-N 3.44Å; L168-L171 HydrophobicContact CD2-CD1 4.31Å; L168-L171 PolarHBondContact O-N 2.64Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 2.87Å; L171-V174 WeakPolarHBondContact O-CB 3.45Å; L171-V174 PolarHBondContact O-N 2.97Å |
| 172 | R | 96.9 | Very high | 97.4 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.4 | -69.8 | 173.6 | -172.7 | 118.7 | 4.6 | 112 | V128 L168 D169 Y170 V174 L175 | V128-R172 HydrophobicContact CB-CG 4.14Å; V128-R172 HydrophobicContact CG2-CG 3.88Å; L168-R172 WeakPolarHBondContact O-CG 3.24Å; L168-R172 PolarHBondContact O-N 3.29Å; D169-R172 PolarHBondContact O-N 3.46Å; D169-R172 IonicContact OD1-CZ 3.88Å; D169-R172 IonicContact OD1-NH1 3.61Å; D169-R172 PolarHBondContact OD1-NH1 3.43Å; Y170-R172 VanDerWaalsContact C-N 3.32Å; Y170-R172 PolarHBondContact O-N 3.2Å; R172-V174 PolarHBondContact O-N 3.07Å; R172-L175 PolarHBondContact O-N 3.08Å |
| 173 | S | 97.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -25.9 | -179.8 | 80 | 0 | 0 | 0 | 0 | 113.4 | D169 Y170 L171 L175 S176 | D169-S173 PolarHBondContact O-N 3.04Å; Y170-S173 WeakPolarHBondContact O-CB 3.25Å; Y170-S173 PolarHBondContact O-N 2.98Å; Y170-S173 PolarHBondContact O-OG 2.73Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 2.87Å; S173-L175 PolarHBondContact O-N 3.02Å; S173-S176 VanDerWaalsContact O-CB 3.28Å; S173-S176 WeakPolarHBondContact O-CB 3.47Å; S173-S176 PolarHBondContact O-N 3.42Å; S173-S176 PolarHBondContact O-OG 2.68Å |
| 174 | V | 97.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.3 | -33.6 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | V131 W134 Y170 L171 R172 S176 D177 S180 I184 | V131-V174 HydrophobicContact CG1-CB 4.13Å; V131-V174 HydrophobicContact CG1-CG1 4.35Å; V131-V174 HydrophobicContact CG1-CG2 4.43Å; W134-V174 HydrophobicContact CZ3-CG1 3.97Å; Y170-V174 HydrophobicContact CE2-CG2 4.36Å; Y170-V174 PolarHBondContact O-N 3.3Å; L171-V174 WeakPolarHBondContact O-CB 3.45Å; L171-V174 PolarHBondContact O-N 2.97Å; R172-V174 PolarHBondContact O-N 3.07Å; V174-S176 PolarHBondContact O-N 3.28Å; V174-D177 PolarHBondContact O-N 3.3Å; V174-S180 WeakPolarHBondContact O-CB 3.45Å; V174-I184 HydrophobicContact CG1-CD1 3.73Å |
| 175 | L | 95.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.4 | 179 | -66.4 | 170.3 | 0 | 0 | 0 | 113.6 | V127 V131 R172 S173 D177 F181 I184 | V127-L175 HydrophobicContact CB-CD1 4.45Å; V127-L175 HydrophobicContact CG1-CD1 4.03Å; V127-L175 HydrophobicContact CG2-CD1 3.6Å; V131-L175 HydrophobicContact CG2-CD1 3.7Å; V131-L175 HydrophobicContact CG2-CD2 3.84Å; V131-L175 HydrophobicContact CG2-CG 3.65Å; R172-L175 PolarHBondContact O-N 3.08Å; S173-L175 PolarHBondContact O-N 3.02Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-F181 HydrophobicContact CB-CD2 4.23Å; L175-F181 HydrophobicContact CD2-CD2 3.9Å; L175-F181 HydrophobicContact CD2-CE2 4.38Å; L175-I184 HydrophobicContact CD2-CB 4.4Å; L175-I184 HydrophobicContact CD2-CD1 3.81Å; L175-I184 HydrophobicContact CD2-CG2 4.07Å |
| 176 | S | 95.1 | Very high | 97.5 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 76% | 0.755 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -21.2 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | S173 V174 | S173-S176 VanDerWaalsContact O-CB 3.28Å; S173-S176 WeakPolarHBondContact O-CB 3.47Å; S173-S176 PolarHBondContact O-N 3.42Å; S173-S176 PolarHBondContact O-OG 2.68Å; V174-S176 PolarHBondContact O-N 3.28Å |
| 177 | D | 96.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -80.3 | 122.4 | 172.2 | 171 | 52.7 | 0 | 0 | 0 | 110.5 | V174 L175 T179 S180 F181 | V174-D177 PolarHBondContact O-N 3.3Å; L175-D177 VanDerWaalsContact C-N 3.33Å; D177-T179 VanDerWaalsContact C-N 3.26Å; D177-T179 PolarHBondContact O-N 2.97Å; D177-T179 WeakPolarHBondContact OD2-CB 3.28Å; D177-S180 PolarHBondContact O-N 2.77Å; D177-S180 WeakPolarHBondContact OD2-CB 3.23Å; D177-S180 PolarHBondContact OD2-N 3.49Å; D177-S180 PolarHBondContact OD2-OG 3.09Å; D177-F181 VanDerWaalsContact O-CB 3.32Å; D177-F181 WeakPolarHBondContact O-CB 3.19Å; D177-F181 PolarHBondContact O-N 3.32Å |
| 178 | S | 95.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | -175.1 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | K182 | S178-K182 WeakPolarHBondContact O-CB 3.48Å; S178-K182 PolarHBondContact O-N 3.34Å |
| 179 | T | 97.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.6 | -51.7 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | D177 F181 K182 L183 | D177-T179 VanDerWaalsContact C-N 3.26Å; D177-T179 PolarHBondContact O-N 2.97Å; D177-T179 WeakPolarHBondContact OD2-CB 3.28Å; T179-F181 VanDerWaalsContact C-N 3.34Å; T179-F181 PolarHBondContact O-N 3.26Å; T179-K182 PolarHBondContact O-N 3.29Å; T179-K182 VanDerWaalsContact O-N 3.17Å; T179-L183 HydrophobicContact CG2-CD1 4.5Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.96Å |
| 180 | S | 97.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -44 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | V174 D177 K182 L183 I184 | V174-S180 WeakPolarHBondContact O-CB 3.45Å; D177-S180 PolarHBondContact O-N 2.77Å; D177-S180 WeakPolarHBondContact OD2-CB 3.23Å; D177-S180 PolarHBondContact OD2-N 3.49Å; D177-S180 PolarHBondContact OD2-OG 3.09Å; S180-K182 VanDerWaalsContact C-N 3.35Å; S180-K182 PolarHBondContact O-N 2.97Å; S180-L183 PolarHBondContact O-N 3.23Å; S180-I184 WeakPolarHBondContact O-CB 3.13Å; S180-I184 VanDerWaalsContact O-CG1 3.3Å; S180-I184 WeakPolarHBondContact O-CG1 3.47Å; S180-I184 PolarHBondContact O-N 2.98Å |
| 181 | F | 98.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -46.8 | 174.2 | -174.6 | -82.5 | 0 | 0 | 0 | 111.7 | L175 D177 T179 L183 I184 Y185 L212 L213 L244 | L175-F181 HydrophobicContact CB-CD2 4.23Å; L175-F181 HydrophobicContact CD2-CD2 3.9Å; L175-F181 HydrophobicContact CD2-CE2 4.38Å; D177-F181 VanDerWaalsContact O-CB 3.32Å; D177-F181 WeakPolarHBondContact O-CB 3.19Å; D177-F181 PolarHBondContact O-N 3.32Å; T179-F181 VanDerWaalsContact C-N 3.34Å; T179-F181 PolarHBondContact O-N 3.26Å; F181-L183 VanDerWaalsContact C-N 3.3Å; F181-L183 PolarHBondContact O-N 2.8Å; F181-I184 PolarHBondContact O-N 3.18Å; F181-Y185 HydrophobicContact CE1-CD2 4.14Å; F181-Y185 HydrophobicContact CZ-CD2 4.48Å; F181-Y185 WeakPolarHBondContact O-CB 3.47Å; F181-Y185 PolarHBondContact O-N 3.33Å; F181-L212 HydrophobicContact CE2-CD2 4.38Å; F181-L212 WeakPolarHBondContact CE2-O 3.4Å; F181-L212 HydrophobicContact CZ-CB 4.31Å; F181-L212 HydrophobicContact CZ-CD2 4.42Å; F181-L212 WeakPolarHBondContact CZ-O 3.46Å; F181-L213 HydrophobicContact CE1-CD2 4.2Å; F181-L213 HydrophobicContact CZ-CD2 3.9Å; F181-L244 HydrophobicContact CD1-CD1 4.32Å; F181-L244 HydrophobicContact CE1-CD1 3.7Å |
| 182 | K | 98.1 | Very high | 97.5 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 178.6 | -175.6 | 170.5 | -178.4 | 166.3 | 0 | 111.7 | S178 T179 S180 R186 L244 | S178-K182 WeakPolarHBondContact O-CB 3.48Å; S178-K182 PolarHBondContact O-N 3.34Å; T179-K182 PolarHBondContact O-N 3.29Å; T179-K182 VanDerWaalsContact O-N 3.17Å; S180-K182 VanDerWaalsContact C-N 3.35Å; S180-K182 PolarHBondContact O-N 2.97Å; K182-R186 VanDerWaalsContact O-CG 3.28Å; K182-R186 WeakPolarHBondContact O-CG 3.41Å; K182-R186 PolarHBondContact O-N 3.43Å; K182-R186 VanDerWaalsContact O-N 3.16Å; K182-L244 HydrophobicContact CB-CD2 4.45Å; K182-L244 HydrophobicContact CG-CD2 4.15Å |
| 183 | L | 98.5 | Very high | 97.4 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 175.9 | -68.1 | 173.8 | 0 | 0 | 0 | 111.7 | W134 T179 S180 F181 Y185 R186 Y187 | W134-L183 HydrophobicContact CZ2-CB 4.4Å; T179-L183 HydrophobicContact CG2-CD1 4.5Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.96Å; S180-L183 PolarHBondContact O-N 3.23Å; F181-L183 VanDerWaalsContact C-N 3.3Å; F181-L183 PolarHBondContact O-N 2.8Å; L183-Y185 PolarHBondContact O-N 2.68Å; L183-R186 PolarHBondContact O-N 3.44Å; L183-Y187 WeakPolarHBondContact O-CB 3.37Å; L183-Y187 PolarHBondContact O-N 2.9Å |
| 184 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.2 | -68.2 | 162 | 0 | 0 | 0 | 110.7 | L130 V131 W134 V174 L175 S180 F181 R186 Y187 A188 L212 | L130-I184 HydrophobicContact CD2-CG2 4.28Å; L130-I184 HydrophobicContact CG-CG2 4.19Å; V131-I184 HydrophobicContact CG1-CD1 4.24Å; V131-I184 HydrophobicContact CG2-CD1 4.34Å; W134-I184 HydrophobicContact CB-CG1 4.27Å; W134-I184 HydrophobicContact CD2-CD1 4.17Å; W134-I184 HydrophobicContact CD2-CG1 3.51Å; W134-I184 HydrophobicContact CE3-CD1 3.87Å; W134-I184 HydrophobicContact CE3-CG1 3.75Å; W134-I184 HydrophobicContact CG-CG1 3.72Å; W134-I184 HydrophobicContact CZ2-CG1 4.46Å; W134-I184 HydrophobicContact CZ3-CD1 4.17Å; W134-I184 HydrophobicContact CZ3-CG1 4.31Å; V174-I184 HydrophobicContact CG1-CD1 3.73Å; L175-I184 HydrophobicContact CD2-CB 4.4Å; L175-I184 HydrophobicContact CD2-CD1 3.81Å; L175-I184 HydrophobicContact CD2-CG2 4.07Å; S180-I184 WeakPolarHBondContact O-CB 3.13Å; S180-I184 VanDerWaalsContact O-CG1 3.3Å; S180-I184 WeakPolarHBondContact O-CG1 3.47Å; S180-I184 PolarHBondContact O-N 2.98Å; F181-I184 PolarHBondContact O-N 3.18Å; I184-R186 VanDerWaalsContact C-N 3.32Å; I184-R186 PolarHBondContact O-N 3.47Å; I184-Y187 WeakPolarHBondContact O-CB 3.31Å; I184-Y187 PolarHBondContact O-N 3.44Å; I184-A188 WeakPolarHBondContact O-CB 3.48Å; I184-A188 PolarHBondContact O-N 3.15Å; I184-L212 HydrophobicContact CG2-CD2 4.33Å |
| 185 | Y | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.8 | -178.4 | -83 | 0 | 0 | 0 | 111.8 | F181 L183 L209 L212 L213 W240 L244 | F181-Y185 HydrophobicContact CE1-CD2 4.14Å; F181-Y185 HydrophobicContact CZ-CD2 4.48Å; F181-Y185 WeakPolarHBondContact O-CB 3.47Å; F181-Y185 PolarHBondContact O-N 3.33Å; L183-Y185 PolarHBondContact O-N 2.68Å; Y185-L209 HydrophobicContact CE2-CD2 3.98Å; Y185-L209 VanDerWaalsContact OH-CD2 3.26Å; Y185-L209 WeakPolarHBondContact OH-CD2 3.24Å; Y185-L212 HydrophobicContact CD2-CB 4.16Å; Y185-L212 HydrophobicContact CD2-CD1 3.76Å; Y185-L212 HydrophobicContact CD2-CG 4.42Å; Y185-L212 HydrophobicContact CE2-CD1 4.26Å; Y185-L212 HydrophobicContact CG-CD1 4.42Å; Y185-L213 HydrophobicContact CE2-CD1 3.96Å; Y185-L213 HydrophobicContact CE2-CD2 4.31Å; Y185-L213 HydrophobicContact CE2-CG 4.12Å; Y185-W240 AromaticContact CD1-CD1 3.98Å; Y185-W240 AromaticContact CD1-NE1 3.42Å; Y185-W240 AromaticContact CE1-CD1 3.37Å; Y185-W240 HydrophobicContact CE1-CD2 4.35Å; Y185-W240 AromaticContact CE1-CE2 3.73Å; Y185-W240 HydrophobicContact CE1-CG 4.13Å; Y185-W240 HydrophobicContact CE1-CZ2 4.39Å; Y185-W240 AromaticContact CE1-NE1 3.09Å; Y185-W240 WeakPolarHBondContact CE1-O 3.39Å; Y185-W240 HydrophobicContact CE2-CZ2 4.16Å; Y185-W240 AromaticContact CZ-CE2 3.73Å; Y185-W240 AromaticContact CZ-NE1 3.61Å; Y185-W240 PolarHBondContact O-NE1 3.13Å; Y185-W240 PolarHBondContact OH-O 2.91Å; Y185-L244 HydrophobicContact CD1-CB 3.89Å; Y185-L244 HydrophobicContact CD1-CD2 3.64Å; Y185-L244 HydrophobicContact CD1-CG 4.3Å; Y185-L244 HydrophobicContact CD2-CB 4.44Å; Y185-L244 HydrophobicContact CD2-CD1 4.29Å; Y185-L244 HydrophobicContact CD2-CD2 4.36Å; Y185-L244 HydrophobicContact CE1-CB 3.5Å; Y185-L244 HydrophobicContact CE1-CD2 4.17Å; Y185-L244 HydrophobicContact CE1-CG 4.39Å; Y185-L244 HydrophobicContact CE2-CB 4.11Å; Y185-L244 HydrophobicContact CE2-CD1 4.45Å; Y185-L244 HydrophobicContact CG-CB 4.35Å; Y185-L244 HydrophobicContact CG-CD1 4.49Å; Y185-L244 HydrophobicContact CG-CD2 3.76Å; Y185-L244 HydrophobicContact CG-CG 4.43Å |
| 186 | R | 98.3 | Very high | 96.6 | Very high | 114 Ų | 114 | 63.2 Ų | 63.2 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70 | -40.9 | 177 | -70.4 | 175.8 | 80.3 | 99.4 | -1.5 | 111.7 | K182 L183 I184 A188 F189 | K182-R186 VanDerWaalsContact O-CG 3.28Å; K182-R186 WeakPolarHBondContact O-CG 3.41Å; K182-R186 PolarHBondContact O-N 3.43Å; K182-R186 VanDerWaalsContact O-N 3.16Å; L183-R186 PolarHBondContact O-N 3.44Å; I184-R186 VanDerWaalsContact C-N 3.32Å; I184-R186 PolarHBondContact O-N 3.47Å; R186-A188 VanDerWaalsContact C-N 3.32Å; R186-A188 PolarHBondContact O-N 3.24Å; R186-F189 PolarHBondContact O-N 2.94Å |
| 187 | Y | 98.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.114 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 176 | 163.4 | -98.4 | 0 | 0 | 0 | 112 | L130 A133 W134 A138 L183 I184 F189 D190 F191 | L130-Y187 HydrophobicContact CD1-CD1 4.23Å; L130-Y187 HydrophobicContact CD1-CE1 4.08Å; A133-Y187 VanDerWaalsContact C-OH 3.29Å; A133-Y187 HydrophobicContact CB-CE1 4.37Å; A133-Y187 PolarHBondContact O-OH 3.16Å; W134-Y187 HydrophobicContact CB-CD1 3.74Å; W134-Y187 HydrophobicContact CB-CE1 3.69Å; W134-Y187 HydrophobicContact CB-CG 4.39Å; W134-Y187 AromaticContact CD1-CD1 3.77Å; W134-Y187 AromaticContact CD1-CD2 3.99Å; W134-Y187 AromaticContact CD1-CG 3.55Å; W134-Y187 HydrophobicContact CG-CD1 4.14Å; W134-Y187 HydrophobicContact CG-CE1 4.48Å; W134-Y187 HydrophobicContact CG-CG 4.36Å; A138-Y187 WeakPolarHBondContact O-CE2 3.26Å; A138-Y187 PolarHBondContact O-OH 3.17Å; L183-Y187 WeakPolarHBondContact O-CB 3.37Å; L183-Y187 PolarHBondContact O-N 2.9Å; I184-Y187 WeakPolarHBondContact O-CB 3.31Å; I184-Y187 PolarHBondContact O-N 3.44Å; Y187-F189 PolarHBondContact O-N 3.39Å; Y187-F189 VanDerWaalsContact O-N 3.09Å; Y187-D190 PolarHBondContact O-N 3.4Å; Y187-F191 HydrophobicContact CD1-CB 4.26Å; Y187-F191 HydrophobicContact CE1-CB 3.8Å; Y187-F191 HydrophobicContact CE1-CD1 4.27Å; Y187-F191 HydrophobicContact CE1-CD2 4.26Å; Y187-F191 AromaticContact CE1-CG 3.87Å; Y187-F191 HydrophobicContact CE1-CG 3.87Å; Y187-F191 HydrophobicContact CE2-CB 4.1Å; Y187-F191 AromaticContact CZ-CD2 3.76Å; Y187-F191 AromaticContact CZ-CG 3.78Å; Y187-F191 WeakPolarHBondContact O-CB 3.4Å; Y187-F191 PolarHBondContact O-N 3.07Å; Y187-F191 WeakPolarHBondContact OH-CD2 3.22Å |
| 188 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54 | -34.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 I184 R186 A192 L212 W240 | L130-A188 HydrophobicContact CD1-CB 3.87Å; L130-A188 HydrophobicContact CD2-CB 3.83Å; L130-A188 HydrophobicContact CG-CB 4.43Å; I184-A188 WeakPolarHBondContact O-CB 3.48Å; I184-A188 PolarHBondContact O-N 3.15Å; R186-A188 VanDerWaalsContact C-N 3.32Å; R186-A188 PolarHBondContact O-N 3.24Å; A188-A192 VanDerWaalsContact O-CB 3.25Å; A188-A192 WeakPolarHBondContact O-CB 3.47Å; A188-A192 PolarHBondContact O-N 2.97Å; A188-L212 HydrophobicContact CB-CD1 3.86Å; A188-W240 HydrophobicContact CB-CZ2 4.16Å |
| 189 | F | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -50 | 174.9 | 179.6 | -87.8 | 0 | 0 | 0 | 112.2 | R186 Y187 F191 R193 L200 K237 W240 | R186-F189 PolarHBondContact O-N 2.94Å; Y187-F189 PolarHBondContact O-N 3.39Å; Y187-F189 VanDerWaalsContact O-N 3.09Å; F189-F191 VanDerWaalsContact C-N 3.32Å; F189-R193 WeakPolarHBondContact O-CB 3.49Å; F189-R193 PolarHBondContact O-N 3.21Å; F189-L200 HydrophobicContact CD2-CD1 3.73Å; F189-L200 HydrophobicContact CD2-CG 3.83Å; F189-L200 HydrophobicContact CE2-CD1 4.19Å; F189-L200 HydrophobicContact CE2-CG 3.83Å; F189-L200 HydrophobicContact CG-CD1 4.5Å; F189-K237 HydrophobicContact CD1-CB 4.14Å; F189-K237 HydrophobicContact CD1-CD 4.05Å; F189-K237 HydrophobicContact CD1-CG 3.88Å; F189-K237 HydrophobicContact CE1-CB 3.58Å; F189-K237 HydrophobicContact CE1-CD 3.98Å; F189-K237 HydrophobicContact CE1-CG 3.82Å; F189-K237 HydrophobicContact CE2-CB 4.29Å; F189-K237 HydrophobicContact CG-CG 4.46Å; F189-K237 VanDerWaalsContact CZ-CA 3.5Å; F189-K237 HydrophobicContact CZ-CB 3.66Å; F189-K237 HydrophobicContact CZ-CG 4.33Å; F189-K237 VanDerWaalsContact CZ-N 3.31Å; F189-W240 HydrophobicContact CB-CD2 4.18Å; F189-W240 HydrophobicContact CB-CG 4.01Å; F189-W240 HydrophobicContact CD2-CB 3.71Å; F189-W240 AromaticContact CD2-CD2 3.96Å; F189-W240 HydrophobicContact CD2-CD2 3.96Å; F189-W240 HydrophobicContact CD2-CE3 4.31Å; F189-W240 AromaticContact CD2-CG 3.67Å; F189-W240 HydrophobicContact CD2-CG 3.67Å; F189-W240 HydrophobicContact CE2-CB 4.2Å; F189-W240 HydrophobicContact CG-CB 4.49Å; F189-W240 HydrophobicContact CG-CG 4.19Å |
| 190 | D | 97.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -34.5 | -178 | -67.8 | -44.4 | 0 | 0 | 0 | 111.1 | Y187 K237 | Y187-D190 PolarHBondContact O-N 3.4Å; D190-K237 IonicContact OD1-NZ 3.41Å; D190-K237 PolarHBondContact OD1-NZ 3.3Å; D190-K237 IonicContact OD2-NZ 3.89Å; D190-K237 PolarHBondContact OD2-NZ 3.12Å |
| 191 | F | 97.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 177.3 | 175.3 | -116 | 0 | 0 | 0 | 113.5 | L130 A133 A138 S140 M141 Y187 F189 | L130-F191 HydrophobicContact CD1-CD1 3.85Å; L130-F191 HydrophobicContact CD1-CE1 4.18Å; A133-F191 HydrophobicContact CB-CE1 4.02Å; A133-F191 HydrophobicContact CB-CE2 3.81Å; A133-F191 HydrophobicContact CB-CZ 3.47Å; A133-F191 VanDerWaalsContact CB-CZ 3.47Å; A138-F191 HydrophobicContact CB-CD2 4.47Å; A138-F191 HydrophobicContact CB-CE2 3.93Å; S140-F191 VanDerWaalsContact C-CE2 3.41Å; S140-F191 WeakPolarHBondContact O-CE2 3.36Å; M141-F191 VanDerWaalsContact CA-CZ 3.43Å; M141-F191 HydrophobicContact CB-CD1 4.03Å; M141-F191 HydrophobicContact CB-CD2 4.49Å; M141-F191 HydrophobicContact CB-CE1 3.79Å; M141-F191 HydrophobicContact CB-CE2 4.28Å; M141-F191 HydrophobicContact CB-CG 4.4Å; M141-F191 HydrophobicContact CB-CZ 3.95Å; M141-F191 WeakPolarHBondContact CB-O 3.49Å; M141-F191 HydrophobicContact CG-CD1 4.39Å; M141-F191 HydrophobicContact CG-CE1 3.85Å; M141-F191 HydrophobicContact CG-CZ 4.23Å; M141-F191 PolarHBondContact N-O 3.49Å; Y187-F191 HydrophobicContact CD1-CB 4.26Å; Y187-F191 HydrophobicContact CE1-CB 3.8Å; Y187-F191 HydrophobicContact CE1-CD1 4.27Å; Y187-F191 HydrophobicContact CE1-CD2 4.26Å; Y187-F191 AromaticContact CE1-CG 3.87Å; Y187-F191 HydrophobicContact CE1-CG 3.87Å; Y187-F191 HydrophobicContact CE2-CB 4.1Å; Y187-F191 AromaticContact CZ-CD2 3.76Å; Y187-F191 AromaticContact CZ-CG 3.78Å; Y187-F191 WeakPolarHBondContact O-CB 3.4Å; Y187-F191 PolarHBondContact O-N 3.07Å; Y187-F191 WeakPolarHBondContact OH-CD2 3.22Å; F189-F191 VanDerWaalsContact C-N 3.32Å |
| 192 | A | 97.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.5 | -13.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M141 A188 L200 T204 M208 | M141-A192 HydrophobicContact CE-CB 4.07Å; M141-A192 HydrophobicContact SD-CB 3.9Å; A188-A192 VanDerWaalsContact O-CB 3.25Å; A188-A192 WeakPolarHBondContact O-CB 3.47Å; A188-A192 PolarHBondContact O-N 2.97Å; A192-L200 VanDerWaalsContact C-CD2 3.45Å; A192-L200 HydrophobicContact CB-CD2 3.83Å; A192-T204 HydrophobicContact CB-CG2 3.96Å; A192-M208 HydrophobicContact CB-CG 4.2Å |
| 193 | R | 95.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 25% | 0.249 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -81.4 | 131.3 | -177 | -176.6 | -174.9 | 62.8 | 62.4 | 14.8 | 110.8 | F189 Q197 L200 | F189-R193 WeakPolarHBondContact O-CB 3.49Å; F189-R193 PolarHBondContact O-N 3.21Å; R193-Q197 VanDerWaalsContact CD-O 3.23Å; R193-Q197 WeakPolarHBondContact CD-O 3.39Å; R193-Q197 HydrophobicContact CG-CB 4.05Å; R193-Q197 VanDerWaalsContact CZ-O 3.3Å; R193-Q197 PolarHBondContact NE-O 3.35Å; R193-Q197 PolarHBondContact NH1-O 2.87Å; R193-L200 VanDerWaalsContact CA-CD2 3.45Å; R193-L200 HydrophobicContact CB-CD2 3.67Å; R193-L200 HydrophobicContact CG-CD2 4.45Å |
| 194 | E | 92.3 | Very high | 96.5 | Very high | 142 Ų | 142 | 63.2 Ų | 63.2 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 151.7 | 172 | -66.6 | -178.8 | 178.3 | 0 | 0 | 112.2 | D196 Q197 | E194-D196 PolarHBondContact O-N 2.88Å; E194-Q197 HydrophobicContact CB-CB 4.47Å; E194-Q197 HydrophobicContact CB-CG 3.9Å; E194-Q197 PolarHBondContact O-N 3.46Å |
| 195 | K | 89.2 | Confident | 96.5 | Very high | 176 Ų | 176 | 63.2 Ų | 63.2 | 77% | 0.765 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 140.7 | 175.1 | -162 | 178.7 | 176.3 | -179.2 | 0 | 109.8 | Q197 | K195-Q197 PolarHBondContact O-N 3.06Š|
| 196 | D | 91 | Very high | 96.5 | Very high | 139 Ų | 139 | 64.6 Ų | 64.6 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | -7.6 | 178.2 | -48.3 | -45.8 | 0 | 0 | 0 | 117 | E194 | E194-D196 PolarHBondContact O-N 2.88Š|
| 197 | Q | 94.4 | Very high | 96.4 | Very high | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | trans | -77.4 | 162.1 | 172.3 | -63.6 | -55.8 | -36 | 0 | 0 | 112.2 | R193 E194 K195 | R193-Q197 VanDerWaalsContact CD-O 3.23Å; R193-Q197 WeakPolarHBondContact CD-O 3.39Å; R193-Q197 HydrophobicContact CG-CB 4.05Å; R193-Q197 VanDerWaalsContact CZ-O 3.3Å; R193-Q197 PolarHBondContact NE-O 3.35Å; R193-Q197 PolarHBondContact NH1-O 2.87Å; E194-Q197 HydrophobicContact CB-CB 4.47Å; E194-Q197 HydrophobicContact CB-CG 3.9Å; E194-Q197 PolarHBondContact O-N 3.46Å; K195-Q197 PolarHBondContact O-N 3.06Å | ||
| 198 | R | 96.1 | Very high | 96.4 | Very high | 220 Ų | 220 | 61.4 Ų | 61.4 | 83% | 0.83 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -115.5 | 5.7 | 174.3 | -65.6 | -175.3 | 180 | -177.5 | 0.3 | 113.5 | ||
| 199 | S | 97.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.3 | -173.1 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | I235 | S199-I235 CarbonylContact C-O 3.58Å; S199-I235 VanDerWaalsContact CA-O 3.24Å; S199-I235 WeakPolarHBondContact CA-O 3.36Å; S199-I235 VanDerWaalsContact CB-O 3.28Å; S199-I235 WeakPolarHBondContact CB-O 3.49Å |
| 200 | L | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 145.7 | 167.1 | -62.5 | 177.7 | 0 | 0 | 0 | 109.4 | F189 A192 R193 A205 V234 I235 W240 | F189-L200 HydrophobicContact CD2-CD1 3.73Å; F189-L200 HydrophobicContact CD2-CG 3.83Å; F189-L200 HydrophobicContact CE2-CD1 4.19Å; F189-L200 HydrophobicContact CE2-CG 3.83Å; F189-L200 HydrophobicContact CG-CD1 4.5Å; A192-L200 VanDerWaalsContact C-CD2 3.45Å; A192-L200 HydrophobicContact CB-CD2 3.83Å; R193-L200 VanDerWaalsContact CA-CD2 3.45Å; R193-L200 HydrophobicContact CB-CD2 3.67Å; R193-L200 HydrophobicContact CG-CD2 4.45Å; L200-A205 HydrophobicContact CB-CB 4Å; L200-A205 HydrophobicContact CD1-CB 4.22Å; L200-V234 CarbonylContact O-C 3.4Å; L200-V234 WeakPolarHBondContact O-CA 3.43Å; L200-V234 WeakPolarHBondContact O-CB 3.28Å; L200-I235 PolarHBondContact N-O 3.32Å; L200-I235 PolarHBondContact O-N 2.9Å; L200-W240 HydrophobicContact CD1-CE3 3.92Å; L200-W240 HydrophobicContact CD1-CZ3 3.87Å |
| 201 | D | 97.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 154.3 | 163.4 | 73.5 | 91.9 | 0 | 0 | 0 | 110.4 | N203 T204 A205 | D201-N203 VanDerWaalsContact C-N 3.29Å; D201-N203 PolarHBondContact O-N 3Å; D201-N203 WeakPolarHBondContact OD1-CB 3.37Å; D201-N203 PolarHBondContact OD1-N 3.08Å; D201-T204 VanDerWaalsContact CG-OG1 3.3Å; D201-T204 PolarHBondContact O-N 3.29Å; D201-T204 PolarHBondContact OD1-N 2.62Å; D201-T204 PolarHBondContact OD1-OG1 2.91Å; D201-T204 WeakPolarHBondContact OD2-CB 3.46Å; D201-T204 PolarHBondContact OD2-OG1 3.2Å; D201-A205 WeakPolarHBondContact O-CB 3.21Å; D201-A205 PolarHBondContact O-N 2.78Å |
| 202 | L | 97.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | -173.1 | -173.7 | 67.7 | 0 | 0 | 0 | 112.7 | A205 K206 L227 Y232 K233 I235 | L202-A205 PolarHBondContact O-N 3.15Å; L202-K206 HydrophobicContact CD1-CG 4.43Å; L202-K206 HydrophobicContact CG-CD 4.39Å; L202-K206 HydrophobicContact CG-CG 4.34Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 VanDerWaalsContact O-CG 3.27Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 3.08Å; L202-L227 HydrophobicContact CD1-CB 4.24Å; L202-L227 HydrophobicContact CD1-CD2 4.24Å; L202-L227 WeakPolarHBondContact CD2-O 3.24Å; L202-Y232 WeakPolarHBondContact CD2-O 3.18Å; L202-K233 WeakPolarHBondContact CB-O 3.42Å; L202-K233 PolarHBondContact N-O 3.13Å; L202-I235 HydrophobicContact CD1-CD1 4.06Å; L202-I235 HydrophobicContact CD1-CG1 4.1Å |
| 203 | N | 96.8 | Very high | 96.3 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.8 | -47.9 | -177.5 | -71.3 | -29 | 0 | 0 | 0 | 110.5 | D201 A205 K206 C207 | D201-N203 VanDerWaalsContact C-N 3.29Å; D201-N203 PolarHBondContact O-N 3Å; D201-N203 WeakPolarHBondContact OD1-CB 3.37Å; D201-N203 PolarHBondContact OD1-N 3.08Å; N203-A205 VanDerWaalsContact C-N 3.32Å; N203-A205 PolarHBondContact O-N 2.91Å; N203-K206 PolarHBondContact O-N 3.2Å; N203-C207 PolarHBondContact O-N 3.28Å; N203-C207 PolarHBondContact O-SG 3Å |
| 204 | T | 96.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | M141 A192 D201 C207 M208 | M141-T204 HydrophobicContact CE-CG2 3.95Å; A192-T204 HydrophobicContact CB-CG2 3.96Å; D201-T204 VanDerWaalsContact CG-OG1 3.3Å; D201-T204 PolarHBondContact O-N 3.29Å; D201-T204 PolarHBondContact OD1-N 2.62Å; D201-T204 PolarHBondContact OD1-OG1 2.91Å; D201-T204 WeakPolarHBondContact OD2-CB 3.46Å; D201-T204 PolarHBondContact OD2-OG1 3.2Å; T204-C207 PolarHBondContact O-N 3Å; T204-M208 PolarHBondContact O-N 3.28Å |
| 205 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L200 D201 L202 N203 C207 M208 L209 I235 W240 | L200-A205 HydrophobicContact CB-CB 4Å; L200-A205 HydrophobicContact CD1-CB 4.22Å; D201-A205 WeakPolarHBondContact O-CB 3.21Å; D201-A205 PolarHBondContact O-N 2.78Å; L202-A205 PolarHBondContact O-N 3.15Å; N203-A205 VanDerWaalsContact C-N 3.32Å; N203-A205 PolarHBondContact O-N 2.91Å; A205-C207 PolarHBondContact O-N 2.88Å; A205-M208 PolarHBondContact O-N 3.07Å; A205-L209 WeakPolarHBondContact O-CB 3.49Å; A205-L209 VanDerWaalsContact O-CG 3.25Å; A205-L209 WeakPolarHBondContact O-CG 2.95Å; A205-L209 PolarHBondContact O-N 3.09Å; A205-I235 HydrophobicContact CB-CB 3.93Å; A205-I235 HydrophobicContact CB-CG1 3.62Å; A205-W240 HydrophobicContact CB-CZ3 4.36Å |
| 206 | K | 97.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 176.5 | -75.9 | -172.6 | -44.8 | 163.2 | 0 | 111.8 | L202 N203 L209 G210 N224 L227 E228 | L202-K206 HydrophobicContact CD1-CG 4.43Å; L202-K206 HydrophobicContact CG-CD 4.39Å; L202-K206 HydrophobicContact CG-CG 4.34Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 VanDerWaalsContact O-CG 3.27Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 3.08Å; N203-K206 PolarHBondContact O-N 3.2Å; K206-L209 PolarHBondContact O-N 3.44Å; K206-G210 PolarHBondContact O-N 2.86Å; K206-N224 WeakPolarHBondContact CD-OD1 3.37Å; K206-N224 WeakPolarHBondContact CG-OD1 3.39Å; K206-L227 HydrophobicContact CD-CB 4.15Å; K206-L227 HydrophobicContact CG-CB 4.2Å; K206-L227 HydrophobicContact CG-CD1 3.97Å; K206-E228 HydrophobicContact CD-CG 3.91Å; K206-E228 IonicContact NZ-OE1 3.03Å; K206-E228 PolarHBondContact NZ-OE1 2.8Å |
| 207 | C | 96.9 | Very high | 97 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 177.8 | -68 | 0 | 0 | 0 | 0 | 110.7 | N203 T204 A205 L209 G210 L211 | N203-C207 PolarHBondContact O-N 3.28Å; N203-C207 PolarHBondContact O-SG 3Å; T204-C207 PolarHBondContact O-N 3Å; A205-C207 PolarHBondContact O-N 2.88Å; C207-L209 PolarHBondContact O-N 3.11Å; C207-G210 WeakPolarHBondContact O-CA 3.46Å; C207-G210 PolarHBondContact O-N 2.88Å; C207-G210 VanDerWaalsContact O-N 3.11Å; C207-L211 WeakPolarHBondContact O-CG 3.25Å; C207-L211 PolarHBondContact O-N 3.46Å |
| 208 | M | 98.2 | Very high | 97.1 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 179.7 | -74.1 | -56 | 100.8 | 0 | 0 | 113.5 | A192 T204 A205 G210 L211 L212 W240 | A192-M208 HydrophobicContact CB-CG 4.2Å; T204-M208 PolarHBondContact O-N 3.28Å; A205-M208 PolarHBondContact O-N 3.07Å; M208-G210 VanDerWaalsContact C-N 3.27Å; M208-G210 PolarHBondContact O-N 3.08Å; M208-L211 HydrophobicContact CE-CD1 3.4Å; M208-L211 VanDerWaalsContact CE-CD1 3.4Å; M208-L211 HydrophobicContact CE-CG 4.13Å; M208-L211 PolarHBondContact O-N 3.42Å; M208-L211 HydrophobicContact SD-CD1 4.18Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 3.37Å; M208-L212 VanDerWaalsContact O-N 3.09Å; M208-W240 HydrophobicContact CB-CH2 3.56Å; M208-W240 HydrophobicContact CB-CZ3 4.22Å |
| 209 | L | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 173.6 | -68.8 | 171.7 | 0 | 0 | 0 | 111.2 | Y185 A205 K206 C207 L212 L213 F220 F223 L227 W240 V243 | Y185-L209 HydrophobicContact CE2-CD2 3.98Å; Y185-L209 VanDerWaalsContact OH-CD2 3.26Å; Y185-L209 WeakPolarHBondContact OH-CD2 3.24Å; A205-L209 WeakPolarHBondContact O-CB 3.49Å; A205-L209 VanDerWaalsContact O-CG 3.25Å; A205-L209 WeakPolarHBondContact O-CG 2.95Å; A205-L209 PolarHBondContact O-N 3.09Å; K206-L209 PolarHBondContact O-N 3.44Å; C207-L209 PolarHBondContact O-N 3.11Å; L209-L212 PolarHBondContact O-N 3.48Å; L209-L213 HydrophobicContact CD2-CD1 4.11Å; L209-L213 WeakPolarHBondContact O-CA 3.2Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 PolarHBondContact O-N 3.31Å; L209-F220 HydrophobicContact CB-CE2 3.6Å; L209-F220 HydrophobicContact CB-CZ 4.28Å; L209-F223 HydrophobicContact CD1-CE1 4.1Å; L209-L227 HydrophobicContact CD1-CD1 4.26Å; L209-W240 HydrophobicContact CD1-CZ3 4.28Å; L209-W240 HydrophobicContact CD2-CD2 4.4Å; L209-W240 HydrophobicContact CD2-CE3 3.96Å; L209-W240 HydrophobicContact CD2-CH2 3.65Å; L209-W240 HydrophobicContact CD2-CZ2 4.15Å; L209-W240 HydrophobicContact CD2-CZ3 3.58Å; L209-W240 HydrophobicContact CG-CE3 4.17Å; L209-W240 HydrophobicContact CG-CH2 3.81Å; L209-W240 HydrophobicContact CG-CZ3 3.5Å; L209-W240 VanDerWaalsContact CG-CZ3 3.5Å; L209-V243 HydrophobicContact CD2-CG1 4.01Å |
| 210 | G | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K206 C207 M208 L212 G214 F220 | K206-G210 PolarHBondContact O-N 2.86Å; C207-G210 WeakPolarHBondContact O-CA 3.46Å; C207-G210 PolarHBondContact O-N 2.88Å; C207-G210 VanDerWaalsContact O-N 3.11Å; M208-G210 VanDerWaalsContact C-N 3.27Å; M208-G210 PolarHBondContact O-N 3.08Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 2.98Å; G210-G214 VanDerWaalsContact O-CA 3.29Å; G210-G214 WeakPolarHBondContact O-CA 3.31Å; G210-G214 PolarHBondContact O-N 2.99Å; G210-F220 VanDerWaalsContact CA-CE1 3.49Å; G210-F220 VanDerWaalsContact N-CZ 3.28Å |
| 211 | L | 96.5 | Very high | 97.2 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.8 | -60.4 | -166.6 | 0 | 0 | 0 | 112.4 | E125 V127 C207 M208 | E125-L211 WeakPolarHBondContact O-CD1 3.4Å; E125-L211 WeakPolarHBondContact O-CD2 3.43Å; V127-L211 HydrophobicContact CB-CB 4.27Å; V127-L211 HydrophobicContact CG2-CB 4.3Å; V127-L211 WeakPolarHBondContact CG2-O 3.36Å; C207-L211 WeakPolarHBondContact O-CG 3.25Å; C207-L211 PolarHBondContact O-N 3.46Å; M208-L211 HydrophobicContact CE-CD1 3.4Å; M208-L211 VanDerWaalsContact CE-CD1 3.4Å; M208-L211 HydrophobicContact CE-CG 4.13Å; M208-L211 PolarHBondContact O-N 3.42Å; M208-L211 HydrophobicContact SD-CD1 4.18Å |
| 212 | L | 98 | Very high | 97.2 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.7 | -41.1 | -172.7 | -73.5 | 163 | 0 | 0 | 0 | 113.4 | L130 F181 I184 Y185 A188 M208 L209 G210 W240 | L130-L212 HydrophobicContact CD2-CD1 4.04Å; L130-L212 HydrophobicContact CD2-CD2 3.73Å; L130-L212 HydrophobicContact CD2-CG 3.92Å; F181-L212 HydrophobicContact CE2-CD2 4.38Å; F181-L212 WeakPolarHBondContact CE2-O 3.4Å; F181-L212 HydrophobicContact CZ-CB 4.31Å; F181-L212 HydrophobicContact CZ-CD2 4.42Å; F181-L212 WeakPolarHBondContact CZ-O 3.46Å; I184-L212 HydrophobicContact CG2-CD2 4.33Å; Y185-L212 HydrophobicContact CD2-CB 4.16Å; Y185-L212 HydrophobicContact CD2-CD1 3.76Å; Y185-L212 HydrophobicContact CD2-CG 4.42Å; Y185-L212 HydrophobicContact CE2-CD1 4.26Å; Y185-L212 HydrophobicContact CG-CD1 4.42Å; A188-L212 HydrophobicContact CB-CD1 3.86Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 3.37Å; M208-L212 VanDerWaalsContact O-N 3.09Å; L209-L212 PolarHBondContact O-N 3.48Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 2.98Å; L212-W240 HydrophobicContact CD1-CH2 4.31Å; L212-W240 HydrophobicContact CD1-CZ2 3.84Å |
| 213 | L | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -115.3 | -15.4 | -169.4 | -58.8 | -179.8 | 0 | 0 | 0 | 113.4 | F181 Y185 L209 K215 T216 W217 F220 V243 L244 | F181-L213 HydrophobicContact CE1-CD2 4.2Å; F181-L213 HydrophobicContact CZ-CD2 3.9Å; Y185-L213 HydrophobicContact CE2-CD1 3.96Å; Y185-L213 HydrophobicContact CE2-CD2 4.31Å; Y185-L213 HydrophobicContact CE2-CG 4.12Å; L209-L213 HydrophobicContact CD2-CD1 4.11Å; L209-L213 WeakPolarHBondContact O-CA 3.2Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 PolarHBondContact O-N 3.31Å; L213-K215 PolarHBondContact O-N 3.36Å; L213-K215 VanDerWaalsContact O-N 3.08Å; L213-T216 PolarHBondContact O-N 2.54Å; L213-T216 VanDerWaalsContact O-N 3.07Å; L213-W217 HydrophobicContact CB-CB 4.11Å; L213-W217 HydrophobicContact CB-CE3 4.3Å; L213-W217 HydrophobicContact CD1-CE3 3.95Å; L213-W217 HydrophobicContact CD1-CZ3 4.44Å; L213-W217 PolarHBondContact O-N 3.45Å; L213-F220 HydrophobicContact CB-CD2 4.1Å; L213-F220 HydrophobicContact CB-CG 4.46Å; L213-V243 HydrophobicContact CD1-CG1 3.9Å; L213-L244 HydrophobicContact CD2-CD1 4.17Å |
| 214 | G | 96.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 40 Ų | 40 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G210 | G210-G214 VanDerWaalsContact O-CA 3.29Å; G210-G214 WeakPolarHBondContact O-CA 3.31Å; G210-G214 PolarHBondContact O-N 2.99Å |
| 215 | K | 93.8 | Very high | 97.3 | Very high | 207 Ų | 207 | 42 Ų | 42 | 90% | 0.9 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -24 | 175.7 | -64.6 | -176.4 | -178.9 | 177.9 | 0 | 113.8 | L213 | L213-K215 PolarHBondContact O-N 3.36Å; L213-K215 VanDerWaalsContact O-N 3.08Å |
| 216 | T | 93.9 | Very high | 97.3 | Very high | 97 Ų | 97 | 42.4 Ų | 42.4 | 60% | 0.595 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -23.8 | -167.8 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | L213 P218 | L213-T216 PolarHBondContact O-N 2.54Å; L213-T216 VanDerWaalsContact O-N 3.07Å; T216-P218 WeakPolarHBondContact O-CD 3.36Å |
| 217 | W | 97.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 41 Ų | 41 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | trans | -108.3 | 108 | -179.2 | -178.1 | 37.6 | 0 | 0 | 0 | 110.3 | L213 L219 F220 F223 V243 F246 | L213-W217 HydrophobicContact CB-CB 4.11Å; L213-W217 HydrophobicContact CB-CE3 4.3Å; L213-W217 HydrophobicContact CD1-CE3 3.95Å; L213-W217 HydrophobicContact CD1-CZ3 4.44Å; L213-W217 PolarHBondContact O-N 3.45Å; W217-L219 HydrophobicContact CD2-CB 4.4Å; W217-L219 HydrophobicContact CZ2-CB 3.81Å; W217-L219 PolarHBondContact O-N 2.85Å; W217-L219 VanDerWaalsContact O-N 3.15Å; W217-F220 HydrophobicContact CB-CB 4.21Å; W217-F220 HydrophobicContact CD2-CB 4.2Å; W217-F220 HydrophobicContact CE3-CB 3.68Å; W217-F220 AromaticContact CE3-CD2 3.98Å; W217-F220 HydrophobicContact CE3-CD2 3.98Å; W217-F220 HydrophobicContact CE3-CG 4.35Å; W217-F220 HydrophobicContact CG-CB 4.46Å; W217-F220 HydrophobicContact CZ3-CB 4.42Å; W217-F220 HydrophobicContact CZ3-CD2 4.21Å; W217-F220 WeakPolarHBondContact O-CB 3.1Å; W217-F220 PolarHBondContact O-N 2.77Å; W217-F223 HydrophobicContact CH2-CB 3.61Å; W217-F223 AromaticContact CH2-CD1 3.81Å; W217-F223 HydrophobicContact CH2-CD1 3.81Å; W217-F223 AromaticContact CH2-CD2 3.93Å; W217-F223 HydrophobicContact CH2-CD2 3.93Å; W217-F223 HydrophobicContact CH2-CE1 4.43Å; W217-F223 AromaticContact CH2-CG 3.5Å; W217-F223 HydrophobicContact CH2-CG 3.5Å; W217-F223 VanDerWaalsContact CH2-CG 3.5Å; W217-F223 HydrophobicContact CZ3-CB 3.75Å; W217-F223 AromaticContact CZ3-CD1 3.51Å; W217-F223 HydrophobicContact CZ3-CD1 3.51Å; W217-F223 HydrophobicContact CZ3-CD2 4.48Å; W217-F223 HydrophobicContact CZ3-CE1 4.2Å; W217-F223 AromaticContact CZ3-CG 3.66Å; W217-F223 HydrophobicContact CZ3-CG 3.66Å; W217-V243 HydrophobicContact CZ3-CG1 4.15Å; W217-F246 HydrophobicContact CH2-CD1 4.47Å; W217-F246 AromaticContact CZ2-CD1 3.84Å; W217-F246 HydrophobicContact CZ2-CD1 3.84Å; W217-F246 HydrophobicContact CZ2-CE1 4.06Å | ||
| 218 | P | 97.6 | Very high | 97.3 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.8 | -175.6 | -26.6 | 35.3 | 0 | 0 | 0 | 114.9 | T216 F220 P221 L252 | T216-P218 WeakPolarHBondContact O-CD 3.36Å; P218-F220 VanDerWaalsContact C-N 3.34Å; P218-P221 WeakPolarHBondContact O-CD 3.22Å; P218-L252 HydrophobicContact CB-CD1 4.21Å; P218-L252 HydrophobicContact CB-CD2 4.02Å; P218-L252 HydrophobicContact CG-CD1 4.06Å; P218-L252 HydrophobicContact CG-CD2 3.98Å |
| 219 | L | 97.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.2 | 175.4 | -66 | 175 | 0 | 0 | 0 | 113.2 | W217 V222 F223 L252 L254 Y274 | W217-L219 HydrophobicContact CD2-CB 4.4Å; W217-L219 HydrophobicContact CZ2-CB 3.81Å; W217-L219 PolarHBondContact O-N 2.85Å; W217-L219 VanDerWaalsContact O-N 3.15Å; L219-V222 HydrophobicContact CB-CG2 4.08Å; L219-V222 HydrophobicContact CD2-CG2 3.87Å; L219-V222 WeakPolarHBondContact O-CG2 3.39Å; L219-V222 PolarHBondContact O-N 3.31Å; L219-F223 WeakPolarHBondContact O-CB 3.03Å; L219-F223 PolarHBondContact O-N 2.94Å; L219-L252 HydrophobicContact CD1-CD2 4.46Å; L219-L252 HydrophobicContact CG-CD2 4.19Å; L219-L254 HydrophobicContact CD1-CD2 3.75Å; L219-Y274 HydrophobicContact CD2-CE2 4.29Å |
| 220 | F | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -44.1 | 179.8 | 178.9 | -97.6 | 0 | 0 | 0 | 113.6 | L209 G210 L213 W217 P218 V222 F223 N224 | L209-F220 HydrophobicContact CB-CE2 3.6Å; L209-F220 HydrophobicContact CB-CZ 4.28Å; G210-F220 VanDerWaalsContact CA-CE1 3.49Å; G210-F220 VanDerWaalsContact N-CZ 3.28Å; L213-F220 HydrophobicContact CB-CD2 4.1Å; L213-F220 HydrophobicContact CB-CG 4.46Å; W217-F220 HydrophobicContact CB-CB 4.21Å; W217-F220 HydrophobicContact CD2-CB 4.2Å; W217-F220 HydrophobicContact CE3-CB 3.68Å; W217-F220 AromaticContact CE3-CD2 3.98Å; W217-F220 HydrophobicContact CE3-CD2 3.98Å; W217-F220 HydrophobicContact CE3-CG 4.35Å; W217-F220 HydrophobicContact CG-CB 4.46Å; W217-F220 HydrophobicContact CZ3-CB 4.42Å; W217-F220 HydrophobicContact CZ3-CD2 4.21Å; W217-F220 WeakPolarHBondContact O-CB 3.1Å; W217-F220 PolarHBondContact O-N 2.77Å; P218-F220 VanDerWaalsContact C-N 3.34Å; F220-V222 VanDerWaalsContact C-N 3.33Å; F220-V222 PolarHBondContact O-N 3.43Å; F220-F223 PolarHBondContact O-N 3.46Å; F220-N224 HydrophobicContact CE1-CB 4.09Å; F220-N224 HydrophobicContact CE2-CB 4.37Å; F220-N224 HydrophobicContact CZ-CB 3.93Å; F220-N224 WeakPolarHBondContact O-CB 3.2Å; F220-N224 PolarHBondContact O-N 3.4Å |
| 221 | P | 97.9 | Very high | 97 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | -179.7 | -25.5 | 36 | 0 | 0 | 0 | 113.2 | P218 Q225 | P218-P221 WeakPolarHBondContact O-CD 3.22Å; P221-Q225 PolarHBondContact O-N 2.91Å; P221-Q225 VanDerWaalsContact O-N 3.09Å |
| 222 | V | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 178.4 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | L219 F220 Q225 F226 F270 Y274 | L219-V222 HydrophobicContact CB-CG2 4.08Å; L219-V222 HydrophobicContact CD2-CG2 3.87Å; L219-V222 WeakPolarHBondContact O-CG2 3.39Å; L219-V222 PolarHBondContact O-N 3.31Å; F220-V222 VanDerWaalsContact C-N 3.33Å; F220-V222 PolarHBondContact O-N 3.43Å; V222-Q225 PolarHBondContact O-N 3.04Å; V222-F226 PolarHBondContact O-N 2.9Å; V222-F270 HydrophobicContact CG2-CE2 4.36Å; V222-F270 HydrophobicContact CG2-CZ 4.23Å; V222-Y274 HydrophobicContact CB-CD2 4.27Å; V222-Y274 HydrophobicContact CB-CE2 4.18Å; V222-Y274 HydrophobicContact CG1-CE2 4.23Å; V222-Y274 HydrophobicContact CG2-CD2 4.04Å; V222-Y274 HydrophobicContact CG2-CE2 3.81Å |
| 223 | F | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 172.5 | -177.3 | -109.3 | 0 | 0 | 0 | 111.9 | L209 W217 L219 F220 Q225 F226 L227 V243 L266 L267 F270 | L209-F223 HydrophobicContact CD1-CE1 4.1Å; W217-F223 HydrophobicContact CH2-CB 3.61Å; W217-F223 AromaticContact CH2-CD1 3.81Å; W217-F223 HydrophobicContact CH2-CD1 3.81Å; W217-F223 AromaticContact CH2-CD2 3.93Å; W217-F223 HydrophobicContact CH2-CD2 3.93Å; W217-F223 HydrophobicContact CH2-CE1 4.43Å; W217-F223 AromaticContact CH2-CG 3.5Å; W217-F223 HydrophobicContact CH2-CG 3.5Å; W217-F223 VanDerWaalsContact CH2-CG 3.5Å; W217-F223 HydrophobicContact CZ3-CB 3.75Å; W217-F223 AromaticContact CZ3-CD1 3.51Å; W217-F223 HydrophobicContact CZ3-CD1 3.51Å; W217-F223 HydrophobicContact CZ3-CD2 4.48Å; W217-F223 HydrophobicContact CZ3-CE1 4.2Å; W217-F223 AromaticContact CZ3-CG 3.66Å; W217-F223 HydrophobicContact CZ3-CG 3.66Å; L219-F223 WeakPolarHBondContact O-CB 3.03Å; L219-F223 PolarHBondContact O-N 2.94Å; F220-F223 PolarHBondContact O-N 3.46Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 2.61Å; F223-F226 HydrophobicContact CD2-CD1 4.22Å; F223-F226 HydrophobicContact CE2-CD1 4.18Å; F223-F226 HydrophobicContact CE2-CE1 4.45Å; F223-F226 WeakPolarHBondContact O-CB 3.38Å; F223-F226 PolarHBondContact O-N 3.31Å; F223-L227 HydrophobicContact CD1-CD1 4.02Å; F223-L227 HydrophobicContact CD1-CG 4.38Å; F223-L227 HydrophobicContact CE1-CD1 3.6Å; F223-L227 HydrophobicContact CE1-CD2 4.44Å; F223-L227 HydrophobicContact CE1-CG 4.08Å; F223-L227 HydrophobicContact CZ-CD1 4.11Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F223-L227 HydrophobicContact CZ-CG 4.19Å; F223-L227 WeakPolarHBondContact O-CG 3.04Å; F223-L227 PolarHBondContact O-N 2.95Å; F223-V243 HydrophobicContact CE1-CG1 3.99Å; F223-V243 HydrophobicContact CE1-CG2 4.02Å; F223-V243 HydrophobicContact CZ-CG1 4.36Å; F223-V243 HydrophobicContact CZ-CG2 3.66Å; F223-L266 HydrophobicContact CE2-CD2 3.81Å; F223-L266 HydrophobicContact CZ-CD2 3.71Å; F223-L267 HydrophobicContact CE2-CD2 3.96Å; F223-L267 HydrophobicContact CZ-CD2 4.32Å; F223-F270 HydrophobicContact CB-CE2 3.97Å; F223-F270 HydrophobicContact CB-CZ 4.02Å; F223-F270 HydrophobicContact CD2-CB 4.26Å; F223-F270 AromaticContact CD2-CD1 3.84Å; F223-F270 HydrophobicContact CD2-CD1 3.84Å; F223-F270 AromaticContact CD2-CD2 3.71Å; F223-F270 HydrophobicContact CD2-CD2 3.71Å; F223-F270 HydrophobicContact CD2-CE1 4.08Å; F223-F270 AromaticContact CD2-CE2 3.96Å; F223-F270 HydrophobicContact CD2-CE2 3.96Å; F223-F270 AromaticContact CD2-CG 3.64Å; F223-F270 HydrophobicContact CD2-CG 3.64Å; F223-F270 HydrophobicContact CD2-CZ 4.14Å; F223-F270 HydrophobicContact CE2-CB 4.26Å; F223-F270 HydrophobicContact CE2-CD1 4.35Å; F223-F270 HydrophobicContact CE2-CG 4.11Å; F223-F270 HydrophobicContact CG-CE2 4.49Å |
| 224 | N | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.3 | -175.6 | 72.4 | 0 | 0 | 0 | 111.6 | K206 F220 L227 E228 | K206-N224 WeakPolarHBondContact CD-OD1 3.37Å; K206-N224 WeakPolarHBondContact CG-OD1 3.39Å; F220-N224 HydrophobicContact CE1-CB 4.09Å; F220-N224 HydrophobicContact CE2-CB 4.37Å; F220-N224 HydrophobicContact CZ-CB 3.93Å; F220-N224 WeakPolarHBondContact O-CB 3.2Å; F220-N224 PolarHBondContact O-N 3.4Å; N224-L227 PolarHBondContact O-N 3.27Å; N224-E228 PolarHBondContact ND2-OE1 2.82Å; N224-E228 VanDerWaalsContact ND2-OE1 3.13Å; N224-E228 WeakPolarHBondContact O-CG 3.38Å; N224-E228 PolarHBondContact O-N 3.42Å |
| 225 | Q | 97.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 62.2 Ų | 62.2 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.2 | -172.6 | -174.3 | 21.9 | 0 | 0 | 112.1 | P221 V222 F223 E228 Q229 W273 R277 | P221-Q225 PolarHBondContact O-N 2.91Å; P221-Q225 VanDerWaalsContact O-N 3.09Å; V222-Q225 PolarHBondContact O-N 3.04Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 2.61Å; Q225-E228 WeakPolarHBondContact O-CB 3.37Å; Q225-E228 PolarHBondContact O-N 3.13Å; Q225-Q229 WeakPolarHBondContact O-CG 3.41Å; Q225-Q229 PolarHBondContact O-N 3.23Å; Q225-W273 HydrophobicContact CB-CH2 4.16Å; Q225-W273 HydrophobicContact CG-CH2 4.11Å; Q225-W273 HydrophobicContact CG-CZ2 4.29Å; Q225-R277 VanDerWaalsContact CD-NH1 3.28Å |
| 226 | F | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -51 | 172.7 | 159.9 | -102.2 | 0 | 0 | 0 | 110.7 | V222 F223 E228 Q229 S230 Y232 L266 E269 F270 W273 | V222-F226 PolarHBondContact O-N 2.9Å; F223-F226 HydrophobicContact CD2-CD1 4.22Å; F223-F226 HydrophobicContact CE2-CD1 4.18Å; F223-F226 HydrophobicContact CE2-CE1 4.45Å; F223-F226 WeakPolarHBondContact O-CB 3.38Å; F223-F226 PolarHBondContact O-N 3.31Å; F226-E228 VanDerWaalsContact C-N 3.26Å; F226-E228 PolarHBondContact O-N 3.34Å; F226-Q229 CarbonylContact O-C 3.58Å; F226-Q229 PolarHBondContact O-N 2.78Å; F226-S230 VanDerWaalsContact O-CB 3.29Å; F226-S230 WeakPolarHBondContact O-CB 3.41Å; F226-S230 PolarHBondContact O-N 3.16Å; F226-Y232 HydrophobicContact CZ-CE2 4.18Å; F226-L266 HydrophobicContact CE1-CD2 4.35Å; F226-L266 HydrophobicContact CE1-CG 4.3Å; F226-L266 WeakPolarHBondContact CZ-O 3.23Å; F226-E269 HydrophobicContact CE2-CB 4.17Å; F226-E269 HydrophobicContact CZ-CB 3.93Å; F226-F270 HydrophobicContact CB-CD2 3.76Å; F226-F270 HydrophobicContact CB-CE2 4.33Å; F226-F270 HydrophobicContact CD1-CB 3.81Å; F226-F270 AromaticContact CD1-CD2 3.94Å; F226-F270 HydrophobicContact CD1-CD2 3.94Å; F226-F270 HydrophobicContact CD1-CG 4.26Å; F226-F270 HydrophobicContact CD2-CB 4.44Å; F226-F270 HydrophobicContact CD2-CD2 4.46Å; F226-F270 HydrophobicContact CE1-CB 3.73Å; F226-F270 HydrophobicContact CE2-CB 4.36Å; F226-F270 HydrophobicContact CG-CB 4.17Å; F226-F270 AromaticContact CG-CD2 3.8Å; F226-F270 HydrophobicContact CG-CD2 3.8Å; F226-F270 HydrophobicContact CG-CG 4.46Å; F226-F270 HydrophobicContact CZ-CB 4.01Å; F226-W273 HydrophobicContact CB-CD2 4.08Å; F226-W273 HydrophobicContact CB-CE3 3.83Å; F226-W273 HydrophobicContact CB-CH2 3.98Å; F226-W273 HydrophobicContact CB-CZ2 4.17Å; F226-W273 HydrophobicContact CB-CZ3 3.82Å; F226-W273 HydrophobicContact CD2-CB 3.94Å; F226-W273 AromaticContact CD2-CD2 3.92Å; F226-W273 HydrophobicContact CD2-CD2 3.92Å; F226-W273 HydrophobicContact CD2-CE3 4.3Å; F226-W273 AromaticContact CD2-CG 3.78Å; F226-W273 HydrophobicContact CD2-CG 3.78Å; F226-W273 HydrophobicContact CE2-CB 4.24Å; F226-W273 HydrophobicContact CE2-CG 4.46Å; F226-W273 HydrophobicContact CG-CD2 4.47Å; F226-W273 HydrophobicContact CG-CE3 4.48Å |
| 227 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -42.2 | 178.8 | -70.8 | -179 | 0 | 0 | 0 | 111.8 | L202 K206 L209 F223 N224 Q229 S230 I235 L266 | L202-L227 HydrophobicContact CD1-CB 4.24Å; L202-L227 HydrophobicContact CD1-CD2 4.24Å; L202-L227 WeakPolarHBondContact CD2-O 3.24Å; K206-L227 HydrophobicContact CD-CB 4.15Å; K206-L227 HydrophobicContact CG-CB 4.2Å; K206-L227 HydrophobicContact CG-CD1 3.97Å; L209-L227 HydrophobicContact CD1-CD1 4.26Å; F223-L227 HydrophobicContact CD1-CD1 4.02Å; F223-L227 HydrophobicContact CD1-CG 4.38Å; F223-L227 HydrophobicContact CE1-CD1 3.6Å; F223-L227 HydrophobicContact CE1-CD2 4.44Å; F223-L227 HydrophobicContact CE1-CG 4.08Å; F223-L227 HydrophobicContact CZ-CD1 4.11Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F223-L227 HydrophobicContact CZ-CG 4.19Å; F223-L227 WeakPolarHBondContact O-CG 3.04Å; F223-L227 PolarHBondContact O-N 2.95Å; N224-L227 PolarHBondContact O-N 3.27Å; L227-Q229 VanDerWaalsContact C-N 3.31Å; L227-Q229 PolarHBondContact O-N 2.98Å; L227-S230 PolarHBondContact O-N 3.22Å; L227-S230 PolarHBondContact O-OG 2.92Å; L227-I235 HydrophobicContact CD2-CD1 4.35Å; L227-L266 HydrophobicContact CD2-CD1 4.19Å; L227-L266 HydrophobicContact CD2-CD2 4.41Å |
| 228 | E | 95.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 177.2 | -80.9 | 172.6 | -176.4 | 0 | 0 | 114.6 | K206 N224 Q225 F226 | K206-E228 HydrophobicContact CD-CG 3.91Å; K206-E228 IonicContact NZ-OE1 3.03Å; K206-E228 PolarHBondContact NZ-OE1 2.8Å; N224-E228 PolarHBondContact ND2-OE1 2.82Å; N224-E228 VanDerWaalsContact ND2-OE1 3.13Å; N224-E228 WeakPolarHBondContact O-CG 3.38Å; N224-E228 PolarHBondContact O-N 3.42Å; Q225-E228 WeakPolarHBondContact O-CB 3.37Å; Q225-E228 PolarHBondContact O-N 3.13Å; F226-E228 VanDerWaalsContact C-N 3.26Å; F226-E228 PolarHBondContact O-N 3.34Å |
| 229 | Q | 95.6 | Very high | 97.7 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -95.1 | -9.4 | -177.5 | -62.9 | 176.2 | 11.6 | 0 | 0 | 112.5 | Q225 F226 L227 | Q225-Q229 WeakPolarHBondContact O-CG 3.41Å; Q225-Q229 PolarHBondContact O-N 3.23Å; F226-Q229 CarbonylContact O-C 3.58Å; F226-Q229 PolarHBondContact O-N 2.78Å; L227-Q229 VanDerWaalsContact C-N 3.31Å; L227-Q229 PolarHBondContact O-N 2.98Å |
| 230 | S | 95.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.8 | 167.4 | -177.2 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | F226 L227 Y232 | F226-S230 VanDerWaalsContact O-CB 3.29Å; F226-S230 WeakPolarHBondContact O-CB 3.41Å; F226-S230 PolarHBondContact O-N 3.16Å; L227-S230 PolarHBondContact O-N 3.22Å; L227-S230 PolarHBondContact O-OG 2.92Å; S230-Y232 VanDerWaalsContact C-N 3.29Å; S230-Y232 WeakPolarHBondContact OG-CD2 3.42Å; S230-Y232 PolarHBondContact OG-N 3.21Å |
| 231 | K | 96.4 | Very high | 97.7 | Very high | 146 Ų | 146 | 55.8 Ų | 55.8 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -75.9 | -13.9 | 171.5 | 65.5 | -169.1 | 173 | -164.7 | 0 | 113.6 | E269 | K231-E269 VanDerWaalsContact CE-OE1 3.23Å; K231-E269 WeakPolarHBondContact CE-OE1 3.45Å; K231-E269 IonicContact NZ-OE1 2.65Å; K231-E269 PolarHBondContact NZ-OE1 3.36Å; K231-E269 IonicContact NZ-OE2 3.81Å |
| 232 | Y | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | trans | -63.6 | 143.5 | -174.5 | -64.4 | -77.2 | 0 | 0 | 0 | 111.1 | L202 F226 S230 L266 E269 | L202-Y232 WeakPolarHBondContact CD2-O 3.18Å; F226-Y232 HydrophobicContact CZ-CE2 4.18Å; S230-Y232 VanDerWaalsContact C-N 3.29Å; S230-Y232 WeakPolarHBondContact OG-CD2 3.42Å; S230-Y232 PolarHBondContact OG-N 3.21Å; Y232-L266 HydrophobicContact CD1-CD1 4.09Å; Y232-L266 HydrophobicContact CD2-CD1 3.99Å; Y232-L266 HydrophobicContact CD2-CG 4.24Å; Y232-L266 HydrophobicContact CE1-CB 4.21Å; Y232-L266 HydrophobicContact CE1-CD1 4.15Å; Y232-L266 HydrophobicContact CE1-CG 4.48Å; Y232-L266 HydrophobicContact CE2-CB 4.15Å; Y232-L266 HydrophobicContact CE2-CD1 4.09Å; Y232-L266 HydrophobicContact CE2-CG 3.91Å; Y232-L266 HydrophobicContact CG-CD1 4.03Å; Y232-L266 WeakPolarHBondContact OH-CA 3.49Å; Y232-L266 PolarHBondContact OH-N 3.32Å; Y232-E269 WeakPolarHBondContact CE2-OE2 3.47Å; Y232-E269 VanDerWaalsContact OH-CD 3.26Å; Y232-E269 PolarHBondContact OH-OE2 3.44Å | ||
| 233 | K | 97.8 | Very high | 97.8 | Very high | 154 Ų | 154 | 51.6 Ų | 51.6 | 67% | 0.67 | 25% | 0.251 | S | S | * | . | trans | -120.9 | -17.2 | 174.8 | -59.4 | -60.6 | 169.2 | -155.2 | 0 | 112.8 | L202 | L202-K233 WeakPolarHBondContact CB-O 3.42Å; L202-K233 PolarHBondContact N-O 3.13Å | ||
| 234 | V | 98.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 157.1 | -179.8 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | L200 | L200-V234 CarbonylContact O-C 3.4Å; L200-V234 WeakPolarHBondContact O-CA 3.43Å; L200-V234 WeakPolarHBondContact O-CB 3.28Å |
| 235 | I | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.9 | 171.2 | -59.2 | -60.3 | 0 | 0 | 0 | 108.2 | S199 L200 L202 A205 L227 Q239 W240 L266 | S199-I235 CarbonylContact C-O 3.58Å; S199-I235 VanDerWaalsContact CA-O 3.24Å; S199-I235 WeakPolarHBondContact CA-O 3.36Å; S199-I235 VanDerWaalsContact CB-O 3.28Å; S199-I235 WeakPolarHBondContact CB-O 3.49Å; L200-I235 PolarHBondContact N-O 3.32Å; L200-I235 PolarHBondContact O-N 2.9Å; L202-I235 HydrophobicContact CD1-CD1 4.06Å; L202-I235 HydrophobicContact CD1-CG1 4.1Å; A205-I235 HydrophobicContact CB-CB 3.93Å; A205-I235 HydrophobicContact CB-CG1 3.62Å; L227-I235 HydrophobicContact CD2-CD1 4.35Å; I235-Q239 HydrophobicContact CG2-CB 3.96Å; I235-W240 HydrophobicContact CG2-CB 4.14Å; I235-W240 HydrophobicContact CG2-CE3 4.4Å; I235-L266 HydrophobicContact CD1-CD1 3.44Å; I235-L266 VanDerWaalsContact CD1-CD1 3.44Å |
| 236 | N | 98.4 | Very high | 97.8 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 172.2 | 176.5 | 74.3 | 35.8 | 0 | 0 | 0 | 111.8 | D238 Q239 W240 | N236-D238 VanDerWaalsContact C-N 3.31Å; N236-D238 PolarHBondContact O-N 3.05Å; N236-D238 PolarHBondContact OD1-N 3.3Å; N236-Q239 PolarHBondContact O-N 2.9Å; N236-Q239 WeakPolarHBondContact OD1-CG 3.35Å; N236-Q239 PolarHBondContact OD1-N 3.08Å; N236-W240 WeakPolarHBondContact O-CB 3.27Å; N236-W240 PolarHBondContact O-N 3.43Å |
| 237 | K | 98.2 | Very high | 97.8 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -35.1 | -175.1 | -166.2 | 164.2 | -168.7 | 156.6 | 0 | 113.7 | F189 D190 C241 | F189-K237 HydrophobicContact CD1-CB 4.14Å; F189-K237 HydrophobicContact CD1-CD 4.05Å; F189-K237 HydrophobicContact CD1-CG 3.88Å; F189-K237 HydrophobicContact CE1-CB 3.58Å; F189-K237 HydrophobicContact CE1-CD 3.98Å; F189-K237 HydrophobicContact CE1-CG 3.82Å; F189-K237 HydrophobicContact CE2-CB 4.29Å; F189-K237 HydrophobicContact CG-CG 4.46Å; F189-K237 VanDerWaalsContact CZ-CA 3.5Å; F189-K237 HydrophobicContact CZ-CB 3.66Å; F189-K237 HydrophobicContact CZ-CG 4.33Å; F189-K237 VanDerWaalsContact CZ-N 3.31Å; D190-K237 IonicContact OD1-NZ 3.41Å; D190-K237 PolarHBondContact OD1-NZ 3.3Å; D190-K237 IonicContact OD2-NZ 3.89Å; D190-K237 PolarHBondContact OD2-NZ 3.12Å; K237-C241 PolarHBondContact O-N 3.15Å; K237-C241 VanDerWaalsContact O-N 3.07Å; K237-C241 PolarHBondContact O-SG 3.47Å |
| 238 | D | 98.3 | Very high | 97.8 | Very high | 96 Ų | 96 | 56 Ų | 56 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.3 | -49.6 | -179.8 | 177.9 | 70.6 | 0 | 0 | 0 | 111.1 | N236 W240 C241 N242 | N236-D238 VanDerWaalsContact C-N 3.31Å; N236-D238 PolarHBondContact O-N 3.05Å; N236-D238 PolarHBondContact OD1-N 3.3Å; D238-W240 VanDerWaalsContact C-N 3.33Å; D238-W240 PolarHBondContact O-N 3.49Å; D238-C241 PolarHBondContact O-N 2.59Å; D238-N242 WeakPolarHBondContact O-CB 3.43Å; D238-N242 PolarHBondContact O-N 3.49Å; D238-N242 PolarHBondContact O-ND2 3.36Å; D238-N242 PolarHBondContact OD1-ND2 3.49Å; D238-N242 VanDerWaalsContact OD1-ND2 3.17Å; D238-N242 PolarHBondContact OD2-ND2 3.39Å |
| 239 | Q | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -48.7 | 172.9 | -69.9 | 166.7 | -26.4 | 0 | 0 | 111.1 | I235 N236 C241 N242 V243 P264 | I235-Q239 HydrophobicContact CG2-CB 3.96Å; N236-Q239 PolarHBondContact O-N 2.9Å; N236-Q239 WeakPolarHBondContact OD1-CG 3.35Å; N236-Q239 PolarHBondContact OD1-N 3.08Å; Q239-C241 PolarHBondContact O-N 3.34Å; Q239-N242 PolarHBondContact O-N 3.26Å; Q239-V243 WeakPolarHBondContact O-CG2 3.47Å; Q239-V243 PolarHBondContact O-N 3.47Å; Q239-P264 HydrophobicContact CG-CB 4.05Å |
| 240 | W | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.6 | -49.5 | 177.3 | 179.8 | -90.3 | 0 | 0 | 0 | 112.1 | Y185 A188 F189 L200 A205 M208 L209 L212 I235 N236 D238 V243 | Y185-W240 AromaticContact CD1-CD1 3.98Å; Y185-W240 AromaticContact CD1-NE1 3.42Å; Y185-W240 AromaticContact CE1-CD1 3.37Å; Y185-W240 HydrophobicContact CE1-CD2 4.35Å; Y185-W240 AromaticContact CE1-CE2 3.73Å; Y185-W240 HydrophobicContact CE1-CG 4.13Å; Y185-W240 HydrophobicContact CE1-CZ2 4.39Å; Y185-W240 AromaticContact CE1-NE1 3.09Å; Y185-W240 WeakPolarHBondContact CE1-O 3.39Å; Y185-W240 HydrophobicContact CE2-CZ2 4.16Å; Y185-W240 AromaticContact CZ-CE2 3.73Å; Y185-W240 AromaticContact CZ-NE1 3.61Å; Y185-W240 PolarHBondContact O-NE1 3.13Å; Y185-W240 PolarHBondContact OH-O 2.91Å; A188-W240 HydrophobicContact CB-CZ2 4.16Å; F189-W240 HydrophobicContact CB-CD2 4.18Å; F189-W240 HydrophobicContact CB-CG 4.01Å; F189-W240 HydrophobicContact CD2-CB 3.71Å; F189-W240 AromaticContact CD2-CD2 3.96Å; F189-W240 HydrophobicContact CD2-CD2 3.96Å; F189-W240 HydrophobicContact CD2-CE3 4.31Å; F189-W240 AromaticContact CD2-CG 3.67Å; F189-W240 HydrophobicContact CD2-CG 3.67Å; F189-W240 HydrophobicContact CE2-CB 4.2Å; F189-W240 HydrophobicContact CG-CB 4.49Å; F189-W240 HydrophobicContact CG-CG 4.19Å; L200-W240 HydrophobicContact CD1-CE3 3.92Å; L200-W240 HydrophobicContact CD1-CZ3 3.87Å; A205-W240 HydrophobicContact CB-CZ3 4.36Å; M208-W240 HydrophobicContact CB-CH2 3.56Å; M208-W240 HydrophobicContact CB-CZ3 4.22Å; L209-W240 HydrophobicContact CD1-CZ3 4.28Å; L209-W240 HydrophobicContact CD2-CD2 4.4Å; L209-W240 HydrophobicContact CD2-CE3 3.96Å; L209-W240 HydrophobicContact CD2-CH2 3.65Å; L209-W240 HydrophobicContact CD2-CZ2 4.15Å; L209-W240 HydrophobicContact CD2-CZ3 3.58Å; L209-W240 HydrophobicContact CG-CE3 4.17Å; L209-W240 HydrophobicContact CG-CH2 3.81Å; L209-W240 HydrophobicContact CG-CZ3 3.5Å; L209-W240 VanDerWaalsContact CG-CZ3 3.5Å; L212-W240 HydrophobicContact CD1-CH2 4.31Å; L212-W240 HydrophobicContact CD1-CZ2 3.84Å; I235-W240 HydrophobicContact CG2-CB 4.14Å; I235-W240 HydrophobicContact CG2-CE3 4.4Å; N236-W240 WeakPolarHBondContact O-CB 3.27Å; N236-W240 PolarHBondContact O-N 3.43Å; D238-W240 VanDerWaalsContact C-N 3.33Å; D238-W240 PolarHBondContact O-N 3.49Å; W240-V243 PolarHBondContact O-N 3.34Å |
| 241 | C | 98.4 | Very high | 98 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | -179.9 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | K237 D238 Q239 L244 E245 | K237-C241 PolarHBondContact O-N 3.15Å; K237-C241 VanDerWaalsContact O-N 3.07Å; K237-C241 PolarHBondContact O-SG 3.47Å; D238-C241 PolarHBondContact O-N 2.59Å; Q239-C241 PolarHBondContact O-N 3.34Å; C241-L244 PolarHBondContact O-N 3.09Å; C241-E245 PolarHBondContact O-N 2.98Å |
| 242 | N | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -29.5 | -179.8 | -81 | -72.3 | 0 | 0 | 0 | 112.8 | D238 Q239 L244 E245 F246 W263 P264 L267 | D238-N242 WeakPolarHBondContact O-CB 3.43Å; D238-N242 PolarHBondContact O-N 3.49Å; D238-N242 PolarHBondContact O-ND2 3.36Å; D238-N242 PolarHBondContact OD1-ND2 3.49Å; D238-N242 VanDerWaalsContact OD1-ND2 3.17Å; D238-N242 PolarHBondContact OD2-ND2 3.39Å; Q239-N242 PolarHBondContact O-N 3.26Å; N242-L244 VanDerWaalsContact C-N 3.26Å; N242-L244 PolarHBondContact O-N 3.16Å; N242-E245 PolarHBondContact O-N 3.31Å; N242-F246 VanDerWaalsContact O-CB 3.24Å; N242-F246 WeakPolarHBondContact O-CB 3.34Å; N242-F246 PolarHBondContact O-N 3.23Å; N242-W263 HydrophobicContact CB-CE3 4.23Å; N242-W263 HydrophobicContact CB-CZ3 4.22Å; N242-P264 HydrophobicContact CB-CG 3.64Å; N242-L267 HydrophobicContact CB-CD1 3.98Å |
| 243 | V | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -41 | 171.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | L209 L213 W217 F223 Q239 W240 S247 L267 | L209-V243 HydrophobicContact CD2-CG1 4.01Å; L213-V243 HydrophobicContact CD1-CG1 3.9Å; W217-V243 HydrophobicContact CZ3-CG1 4.15Å; F223-V243 HydrophobicContact CE1-CG1 3.99Å; F223-V243 HydrophobicContact CE1-CG2 4.02Å; F223-V243 HydrophobicContact CZ-CG1 4.36Å; F223-V243 HydrophobicContact CZ-CG2 3.66Å; Q239-V243 WeakPolarHBondContact O-CG2 3.47Å; Q239-V243 PolarHBondContact O-N 3.47Å; W240-V243 PolarHBondContact O-N 3.34Å; V243-S247 WeakPolarHBondContact O-CB 3.47Å; V243-S247 PolarHBondContact O-N 2.92Å; V243-L267 HydrophobicContact CG2-CD2 4.11Å |
| 244 | L | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 176 | 178.5 | 61.9 | 0 | 0 | 0 | 111.7 | F181 K182 Y185 L213 C241 N242 S247 R248 | F181-L244 HydrophobicContact CD1-CD1 4.32Å; F181-L244 HydrophobicContact CE1-CD1 3.7Å; K182-L244 HydrophobicContact CB-CD2 4.45Å; K182-L244 HydrophobicContact CG-CD2 4.15Å; Y185-L244 HydrophobicContact CD1-CB 3.89Å; Y185-L244 HydrophobicContact CD1-CD2 3.64Å; Y185-L244 HydrophobicContact CD1-CG 4.3Å; Y185-L244 HydrophobicContact CD2-CB 4.44Å; Y185-L244 HydrophobicContact CD2-CD1 4.29Å; Y185-L244 HydrophobicContact CD2-CD2 4.36Å; Y185-L244 HydrophobicContact CE1-CB 3.5Å; Y185-L244 HydrophobicContact CE1-CD2 4.17Å; Y185-L244 HydrophobicContact CE1-CG 4.39Å; Y185-L244 HydrophobicContact CE2-CB 4.11Å; Y185-L244 HydrophobicContact CE2-CD1 4.45Å; Y185-L244 HydrophobicContact CG-CB 4.35Å; Y185-L244 HydrophobicContact CG-CD1 4.49Å; Y185-L244 HydrophobicContact CG-CD2 3.76Å; Y185-L244 HydrophobicContact CG-CG 4.43Å; L213-L244 HydrophobicContact CD2-CD1 4.17Å; C241-L244 PolarHBondContact O-N 3.09Å; N242-L244 VanDerWaalsContact C-N 3.26Å; N242-L244 PolarHBondContact O-N 3.16Å; L244-S247 PolarHBondContact O-N 3.02Å; L244-S247 PolarHBondContact O-OG 3.48Å; L244-R248 HydrophobicContact CD1-CG 4.47Å; L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 3.02Å |
| 245 | E | 97.9 | Very high | 97.5 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 179.9 | -168 | 62.8 | -154.1 | 0 | 0 | 111 | C241 N242 S247 R248 T249 W263 | C241-E245 PolarHBondContact O-N 2.98Å; N242-E245 PolarHBondContact O-N 3.31Å; E245-S247 VanDerWaalsContact C-N 3.33Å; E245-S247 PolarHBondContact O-N 3.36Å; E245-R248 PolarHBondContact O-N 3.09Å; E245-R248 VanDerWaalsContact O-N 3.08Å; E245-T249 HydrophobicContact CG-CG2 4.3Å; E245-T249 WeakPolarHBondContact O-CB 3.27Å; E245-T249 WeakPolarHBondContact O-CG2 3.32Å; E245-T249 PolarHBondContact O-N 3Å; E245-T249 PolarHBondContact O-OG1 2.91Å; E245-T249 WeakPolarHBondContact OE1-CG2 3.36Å; E245-W263 HydrophobicContact CB-CH2 4.06Å; E245-W263 HydrophobicContact CB-CZ3 4.06Å; E245-W263 HydrophobicContact CG-CH2 3.84Å; E245-W263 HydrophobicContact CG-CZ3 4.23Å |
| 246 | F | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 174.2 | -173.2 | -80.1 | 0 | 0 | 0 | 111.1 | W217 N242 R248 T249 I250 L254 Y257 W263 L267 F270 V271 | W217-F246 HydrophobicContact CH2-CD1 4.47Å; W217-F246 AromaticContact CZ2-CD1 3.84Å; W217-F246 HydrophobicContact CZ2-CD1 3.84Å; W217-F246 HydrophobicContact CZ2-CE1 4.06Å; N242-F246 VanDerWaalsContact O-CB 3.24Å; N242-F246 WeakPolarHBondContact O-CB 3.34Å; N242-F246 PolarHBondContact O-N 3.23Å; F246-R248 PolarHBondContact O-N 3.33Å; F246-R248 VanDerWaalsContact O-N 3.07Å; F246-T249 PolarHBondContact O-N 3.32Å; F246-I250 HydrophobicContact CD1-CB 4.22Å; F246-I250 HydrophobicContact CD1-CG1 4.29Å; F246-I250 HydrophobicContact CD2-CB 4.3Å; F246-I250 HydrophobicContact CD2-CG1 3.56Å; F246-I250 HydrophobicContact CE1-CB 4.06Å; F246-I250 HydrophobicContact CE1-CG1 4.36Å; F246-I250 HydrophobicContact CE1-CG2 4.14Å; F246-I250 HydrophobicContact CE2-CB 4.2Å; F246-I250 HydrophobicContact CE2-CG1 3.7Å; F246-I250 HydrophobicContact CE2-CG2 4.18Å; F246-I250 HydrophobicContact CG-CB 4.33Å; F246-I250 HydrophobicContact CG-CG1 3.89Å; F246-I250 HydrophobicContact CZ-CB 4.06Å; F246-I250 HydrophobicContact CZ-CG1 4.1Å; F246-I250 HydrophobicContact CZ-CG2 3.82Å; F246-I250 WeakPolarHBondContact O-CB 3.11Å; F246-I250 PolarHBondContact O-N 3.2Å; F246-L254 HydrophobicContact CE1-CD2 4.22Å; F246-L254 HydrophobicContact CZ-CD2 3.93Å; F246-Y257 HydrophobicContact CD2-CD2 4.47Å; F246-Y257 AromaticContact CE2-CD2 3.67Å; F246-Y257 HydrophobicContact CE2-CD2 3.67Å; F246-Y257 AromaticContact CE2-CE2 3.86Å; F246-Y257 HydrophobicContact CE2-CE2 3.86Å; F246-Y257 HydrophobicContact CZ-CD2 4.49Å; F246-W263 HydrophobicContact CB-CH2 4.18Å; F246-W263 HydrophobicContact CB-CZ3 4.04Å; F246-L267 HydrophobicContact CB-CD1 3.82Å; F246-L267 HydrophobicContact CB-CD2 4.39Å; F246-L267 HydrophobicContact CD2-CB 4.18Å; F246-L267 HydrophobicContact CD2-CD1 3.78Å; F246-L267 HydrophobicContact CD2-CD2 4.18Å; F246-L267 HydrophobicContact CD2-CG 4.28Å; F246-L267 HydrophobicContact CE2-CB 4.31Å; F246-L267 HydrophobicContact CG-CD1 4.05Å; F246-L267 HydrophobicContact CG-CD2 4.15Å; F246-F270 HydrophobicContact CE1-CD1 4.21Å; F246-F270 AromaticContact CE1-CE1 3.91Å; F246-F270 HydrophobicContact CE1-CE1 3.91Å; F246-F270 HydrophobicContact CZ-CD1 4.08Å; F246-F270 HydrophobicContact CZ-CE1 4.1Å; F246-V271 HydrophobicContact CE2-CG2 3.93Å; F246-V271 HydrophobicContact CZ-CG2 3.79Å |
| 247 | S | 97.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 48 Ų | 48 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -20.6 | 179.2 | 76.9 | 0 | 0 | 0 | 0 | 114.2 | V243 L244 E245 | V243-S247 WeakPolarHBondContact O-CB 3.47Å; V243-S247 PolarHBondContact O-N 2.92Å; L244-S247 PolarHBondContact O-N 3.02Å; L244-S247 PolarHBondContact O-OG 3.48Å; E245-S247 VanDerWaalsContact C-N 3.33Å; E245-S247 PolarHBondContact O-N 3.36Å |
| 248 | R | 96.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 48.4 Ų | 48.4 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -102 | -23.7 | -177.2 | -71.3 | 176.1 | 171.8 | -164 | -5.4 | 113.8 | L244 E245 F246 | L244-R248 HydrophobicContact CD1-CG 4.47Å; L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 3.02Å; E245-R248 PolarHBondContact O-N 3.09Å; E245-R248 VanDerWaalsContact O-N 3.08Å; F246-R248 PolarHBondContact O-N 3.33Å; F246-R248 VanDerWaalsContact O-N 3.07Å |
| 249 | T | 97.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -115.3 | -24.9 | -169.5 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | E245 F246 N256 | E245-T249 HydrophobicContact CG-CG2 4.3Å; E245-T249 WeakPolarHBondContact O-CB 3.27Å; E245-T249 WeakPolarHBondContact O-CG2 3.32Å; E245-T249 PolarHBondContact O-N 3Å; E245-T249 PolarHBondContact O-OG1 2.91Å; E245-T249 WeakPolarHBondContact OE1-CG2 3.36Å; F246-T249 PolarHBondContact O-N 3.32Å; T249-N256 PolarHBondContact O-ND2 3.49Å |
| 250 | I | 97.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -92.7 | 132.6 | 179.6 | -55.7 | -55.4 | 0 | 0 | 0 | 110 | F246 L254 Y257 W263 | F246-I250 HydrophobicContact CD1-CB 4.22Å; F246-I250 HydrophobicContact CD1-CG1 4.29Å; F246-I250 HydrophobicContact CD2-CB 4.3Å; F246-I250 HydrophobicContact CD2-CG1 3.56Å; F246-I250 HydrophobicContact CE1-CB 4.06Å; F246-I250 HydrophobicContact CE1-CG1 4.36Å; F246-I250 HydrophobicContact CE1-CG2 4.14Å; F246-I250 HydrophobicContact CE2-CB 4.2Å; F246-I250 HydrophobicContact CE2-CG1 3.7Å; F246-I250 HydrophobicContact CE2-CG2 4.18Å; F246-I250 HydrophobicContact CG-CB 4.33Å; F246-I250 HydrophobicContact CG-CG1 3.89Å; F246-I250 HydrophobicContact CZ-CB 4.06Å; F246-I250 HydrophobicContact CZ-CG1 4.1Å; F246-I250 HydrophobicContact CZ-CG2 3.82Å; F246-I250 WeakPolarHBondContact O-CB 3.11Å; F246-I250 PolarHBondContact O-N 3.2Å; I250-L254 HydrophobicContact CG2-CD2 3.74Å; I250-Y257 HydrophobicContact CD1-CD2 4.19Å; I250-Y257 HydrophobicContact CG1-CD2 4.43Å; I250-W263 HydrophobicContact CD1-CZ2 4.02Å; I250-W263 HydrophobicContact CG1-CZ2 4.21Å |
| 251 | N | 96.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | trans | -62.3 | 153.2 | 176.7 | -68.6 | -20.9 | 0 | 0 | 0 | 110.5 | D253 L254 S255 N256 | N251-D253 WeakPolarHBondContact CB-OD1 3.32Å; N251-D253 PolarHBondContact O-N 3.37Å; N251-L254 WeakPolarHBondContact O-CA 3.15Å; N251-L254 PolarHBondContact O-N 3.03Å; N251-S255 PolarHBondContact ND2-OG 3.01Å; N251-S255 VanDerWaalsContact ND2-OG 3.08Å; N251-N256 WeakPolarHBondContact CB-OD1 3.47Å; N251-N256 PolarHBondContact N-OD1 3.35Å | ||
| 252 | L | 94.8 | Very high | 96.2 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.5 | -178.5 | -58.5 | -179.5 | 0 | 0 | 0 | 113.4 | P218 L219 L254 | P218-L252 HydrophobicContact CB-CD1 4.21Å; P218-L252 HydrophobicContact CB-CD2 4.02Å; P218-L252 HydrophobicContact CG-CD1 4.06Å; P218-L252 HydrophobicContact CG-CD2 3.98Å; L219-L252 HydrophobicContact CD1-CD2 4.46Å; L219-L252 HydrophobicContact CG-CD2 4.19Å; L252-L254 VanDerWaalsContact C-N 3.33Å |
| 253 | D | 93.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 62.3 Ų | 62.3 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.5 | 174.6 | 66.9 | -6.5 | 0 | 0 | 0 | 113.2 | N251 S255 | N251-D253 WeakPolarHBondContact CB-OD1 3.32Å; N251-D253 PolarHBondContact O-N 3.37Å; D253-S255 VanDerWaalsContact CG-OG 3.28Å; D253-S255 PolarHBondContact O-N 3.02Å; D253-S255 VanDerWaalsContact O-N 3.13Å; D253-S255 VanDerWaalsContact OD1-CB 3.22Å; D253-S255 WeakPolarHBondContact OD1-CB 3.5Å; D253-S255 PolarHBondContact OD1-N 3.14Å; D253-S255 PolarHBondContact OD1-OG 3.5Å; D253-S255 PolarHBondContact OD2-OG 3.42Å |
| 254 | L | 95.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | 60.1 | 16.2 | -178.4 | -46.6 | 178.2 | 0 | 0 | 0 | 114.1 | L219 F246 I250 N251 L252 N256 Y257 V271 Y274 | L219-L254 HydrophobicContact CD1-CD2 3.75Å; F246-L254 HydrophobicContact CE1-CD2 4.22Å; F246-L254 HydrophobicContact CZ-CD2 3.93Å; I250-L254 HydrophobicContact CG2-CD2 3.74Å; N251-L254 WeakPolarHBondContact O-CA 3.15Å; N251-L254 PolarHBondContact O-N 3.03Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L254-N256 VanDerWaalsContact C-N 3.28Å; L254-N256 PolarHBondContact O-N 3.26Å; L254-Y257 WeakPolarHBondContact O-CB 3.41Å; L254-Y257 PolarHBondContact O-N 3.27Å; L254-V271 HydrophobicContact CD1-CB 4.36Å; L254-V271 HydrophobicContact CD1-CG1 4.05Å; L254-V271 HydrophobicContact CD1-CG2 4.19Å; L254-Y274 HydrophobicContact CD1-CD1 3.42Å; L254-Y274 VanDerWaalsContact CD1-CD1 3.42Å; L254-Y274 HydrophobicContact CD1-CE1 4.12Å; L254-Y274 HydrophobicContact CD1-CG 3.97Å; L254-Y274 HydrophobicContact CG-CD1 4.31Å | ||
| 255 | S | 95.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28 | -174 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | N251 D253 | N251-S255 PolarHBondContact ND2-OG 3.01Å; N251-S255 VanDerWaalsContact ND2-OG 3.08Å; D253-S255 VanDerWaalsContact CG-OG 3.28Å; D253-S255 PolarHBondContact O-N 3.02Å; D253-S255 VanDerWaalsContact O-N 3.13Å; D253-S255 VanDerWaalsContact OD1-CB 3.22Å; D253-S255 WeakPolarHBondContact OD1-CB 3.5Å; D253-S255 PolarHBondContact OD1-N 3.14Å; D253-S255 PolarHBondContact OD1-OG 3.5Å; D253-S255 PolarHBondContact OD2-OG 3.42Å |
| 256 | N | 96.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 10 | -179.7 | 73.2 | -38.6 | 0 | 0 | 0 | 113.3 | T249 N251 L254 | T249-N256 PolarHBondContact O-ND2 3.49Å; N251-N256 WeakPolarHBondContact CB-OD1 3.47Å; N251-N256 PolarHBondContact N-OD1 3.35Å; L254-N256 VanDerWaalsContact C-N 3.28Å; L254-N256 PolarHBondContact O-N 3.26Å |
| 257 | Y | 97.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 8% | 0.078 | 36% | 0.356 | C | S | . | . | trans | -75.1 | 130.3 | 176 | 177.4 | -94.6 | 0 | 0 | 0 | 110.6 | F246 I250 L254 E259 W263 D268 V271 | F246-Y257 HydrophobicContact CD2-CD2 4.47Å; F246-Y257 AromaticContact CE2-CD2 3.67Å; F246-Y257 HydrophobicContact CE2-CD2 3.67Å; F246-Y257 AromaticContact CE2-CE2 3.86Å; F246-Y257 HydrophobicContact CE2-CE2 3.86Å; F246-Y257 HydrophobicContact CZ-CD2 4.49Å; I250-Y257 HydrophobicContact CD1-CD2 4.19Å; I250-Y257 HydrophobicContact CG1-CD2 4.43Å; L254-Y257 WeakPolarHBondContact O-CB 3.41Å; L254-Y257 PolarHBondContact O-N 3.27Å; Y257-E259 HydrophobicContact CD1-CG 4.07Å; Y257-E259 HydrophobicContact CE1-CB 4.44Å; Y257-E259 HydrophobicContact CE1-CG 3.74Å; Y257-W263 HydrophobicContact CE2-CB 4.37Å; Y257-W263 AromaticContact CE2-CD1 3.42Å; Y257-W263 VanDerWaalsContact CE2-CD1 3.42Å; Y257-W263 AromaticContact CE2-CG 3.94Å; Y257-W263 HydrophobicContact CE2-CG 3.94Å; Y257-W263 AromaticContact CE2-NE1 3.92Å; Y257-D268 WeakPolarHBondContact OH-CA 3.46Å; Y257-D268 WeakPolarHBondContact OH-CB 3.41Å; Y257-D268 PolarHBondContact OH-OD1 2.74Å; Y257-V271 HydrophobicContact CD1-CB 4.16Å; Y257-V271 HydrophobicContact CD1-CG1 3.66Å; Y257-V271 HydrophobicContact CD1-CG2 3.95Å; Y257-V271 HydrophobicContact CD2-CG2 3.87Å; Y257-V271 HydrophobicContact CE1-CB 4.02Å; Y257-V271 HydrophobicContact CE1-CG1 3.92Å; Y257-V271 HydrophobicContact CE1-CG2 3.96Å; Y257-V271 HydrophobicContact CE2-CG2 3.91Å; Y257-V271 HydrophobicContact CG-CG1 4.22Å; Y257-V271 HydrophobicContact CG-CG2 3.88Å | ||
| 258 | D | 94.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -102.6 | 112.7 | 179.6 | -178 | 9.5 | 0 | 0 | 0 | 109.7 | D260 G261 | D258-D260 VanDerWaalsContact C-N 3.25Å; D258-D260 PolarHBondContact O-N 2.88Å; D258-D260 PolarHBondContact OD1-N 3.05Å; D258-D260 VanDerWaalsContact OD1-N 3.08Å; D258-G261 PolarHBondContact O-N 3.33Å; D258-G261 VanDerWaalsContact O-N 3.09Å | ||
| 259 | E | 91.3 | Very high | 96.1 | Very high | 133 Ų | 133 | 61.3 Ų | 61.3 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.4 | -179.6 | -71.2 | 172.3 | -166.1 | 0 | 0 | 112.4 | Y257 G261 K275 | Y257-E259 HydrophobicContact CD1-CG 4.07Å; Y257-E259 HydrophobicContact CE1-CB 4.44Å; Y257-E259 HydrophobicContact CE1-CG 3.74Å; E259-G261 VanDerWaalsContact C-N 3.28Å; E259-K275 IonicContact OE1-NZ 3.73Å; E259-K275 PolarHBondContact OE1-NZ 3.04Å |
| 260 | D | 92.8 | Very high | 96.2 | Very high | 160 Ų | 160 | 58.6 Ų | 58.6 | 86% | 0.856 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 4.7 | 173.4 | -66.1 | -48.6 | 0 | 0 | 0 | 112.1 | D258 | D258-D260 VanDerWaalsContact C-N 3.25Å; D258-D260 PolarHBondContact O-N 2.88Å; D258-D260 PolarHBondContact OD1-N 3.05Å; D258-D260 VanDerWaalsContact OD1-N 3.08Å |
| 261 | G | 93.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -70.2 | 166.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D258 E259 W263 | D258-G261 PolarHBondContact O-N 3.33Å; D258-G261 VanDerWaalsContact O-N 3.09Å; E259-G261 VanDerWaalsContact C-N 3.28Å; G261-W263 PolarHBondContact O-N 3.39Å; G261-W263 VanDerWaalsContact O-N 3.13Å |
| 262 | A | 95.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 88% | 0.884 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -85.4 | 32.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 263 | W | 98 | Very high | 96.2 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | trans | -73.2 | 150.2 | 177.4 | -69.5 | 112.3 | 0 | 0 | 0 | 110.5 | N242 E245 F246 I250 Y257 G261 L267 D268 | N242-W263 HydrophobicContact CB-CE3 4.23Å; N242-W263 HydrophobicContact CB-CZ3 4.22Å; E245-W263 HydrophobicContact CB-CH2 4.06Å; E245-W263 HydrophobicContact CB-CZ3 4.06Å; E245-W263 HydrophobicContact CG-CH2 3.84Å; E245-W263 HydrophobicContact CG-CZ3 4.23Å; F246-W263 HydrophobicContact CB-CH2 4.18Å; F246-W263 HydrophobicContact CB-CZ3 4.04Å; I250-W263 HydrophobicContact CD1-CZ2 4.02Å; I250-W263 HydrophobicContact CG1-CZ2 4.21Å; Y257-W263 HydrophobicContact CE2-CB 4.37Å; Y257-W263 AromaticContact CE2-CD1 3.42Å; Y257-W263 VanDerWaalsContact CE2-CD1 3.42Å; Y257-W263 AromaticContact CE2-CG 3.94Å; Y257-W263 HydrophobicContact CE2-CG 3.94Å; Y257-W263 AromaticContact CE2-NE1 3.92Å; G261-W263 PolarHBondContact O-N 3.39Å; G261-W263 VanDerWaalsContact O-N 3.13Å; W263-L267 HydrophobicContact CB-CB 4.49Å; W263-L267 HydrophobicContact CD2-CD1 4.39Å; W263-L267 HydrophobicContact CE3-CD1 3.66Å; W263-L267 HydrophobicContact CZ3-CD1 4.18Å; W263-D268 VanDerWaalsContact CB-OD1 3.31Å; W263-D268 WeakPolarHBondContact CB-OD1 3.3Å | ||
| 264 | P | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | trans | -62.4 | 139.4 | 170.3 | -23.6 | 34 | 0 | 0 | 0 | 110.6 | Q239 N242 L266 L267 D268 | Q239-P264 HydrophobicContact CG-CB 4.05Å; N242-P264 HydrophobicContact CB-CG 3.64Å; P264-L266 PolarHBondContact O-N 3.26Å; P264-L267 PolarHBondContact O-N 3.04Å; P264-D268 PolarHBondContact O-N 3.17Å | ||
| 265 | V | 97.7 | Very high | 96.2 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -45.7 | -31 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 113.9 | L267 D268 E269 | V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 3.07Å; V265-D268 WeakPolarHBondContact CA-OD2 3.32Å; V265-D268 PolarHBondContact O-N 2.71Å; V265-E269 HydrophobicContact CG1-CG 4.15Å; V265-E269 WeakPolarHBondContact O-CB 3.29Å; V265-E269 WeakPolarHBondContact O-CG 3.4Å; V265-E269 PolarHBondContact O-N 2.98Å |
| 266 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 174.8 | -179.2 | 150.9 | 0 | 0 | 0 | 113.2 | F223 F226 L227 Y232 I235 P264 F270 | F223-L266 HydrophobicContact CE2-CD2 3.81Å; F223-L266 HydrophobicContact CZ-CD2 3.71Å; F226-L266 HydrophobicContact CE1-CD2 4.35Å; F226-L266 HydrophobicContact CE1-CG 4.3Å; F226-L266 WeakPolarHBondContact CZ-O 3.23Å; L227-L266 HydrophobicContact CD2-CD1 4.19Å; L227-L266 HydrophobicContact CD2-CD2 4.41Å; Y232-L266 HydrophobicContact CD1-CD1 4.09Å; Y232-L266 HydrophobicContact CD2-CD1 3.99Å; Y232-L266 HydrophobicContact CD2-CG 4.24Å; Y232-L266 HydrophobicContact CE1-CB 4.21Å; Y232-L266 HydrophobicContact CE1-CD1 4.15Å; Y232-L266 HydrophobicContact CE1-CG 4.48Å; Y232-L266 HydrophobicContact CE2-CB 4.15Å; Y232-L266 HydrophobicContact CE2-CD1 4.09Å; Y232-L266 HydrophobicContact CE2-CG 3.91Å; Y232-L266 HydrophobicContact CG-CD1 4.03Å; Y232-L266 WeakPolarHBondContact OH-CA 3.49Å; Y232-L266 PolarHBondContact OH-N 3.32Å; I235-L266 HydrophobicContact CD1-CD1 3.44Å; I235-L266 VanDerWaalsContact CD1-CD1 3.44Å; P264-L266 PolarHBondContact O-N 3.26Å; L266-F270 PolarHBondContact O-N 2.65Å; L266-F270 VanDerWaalsContact O-N 3.12Å |
| 267 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.6 | -34.7 | 178.8 | -65.7 | 178 | 0 | 0 | 0 | 111.1 | F223 N242 V243 F246 W263 P264 V265 F270 V271 | F223-L267 HydrophobicContact CE2-CD2 3.96Å; F223-L267 HydrophobicContact CZ-CD2 4.32Å; N242-L267 HydrophobicContact CB-CD1 3.98Å; V243-L267 HydrophobicContact CG2-CD2 4.11Å; F246-L267 HydrophobicContact CB-CD1 3.82Å; F246-L267 HydrophobicContact CB-CD2 4.39Å; F246-L267 HydrophobicContact CD2-CB 4.18Å; F246-L267 HydrophobicContact CD2-CD1 3.78Å; F246-L267 HydrophobicContact CD2-CD2 4.18Å; F246-L267 HydrophobicContact CD2-CG 4.28Å; F246-L267 HydrophobicContact CE2-CB 4.31Å; F246-L267 HydrophobicContact CG-CD1 4.05Å; F246-L267 HydrophobicContact CG-CD2 4.15Å; W263-L267 HydrophobicContact CB-CB 4.49Å; W263-L267 HydrophobicContact CD2-CD1 4.39Å; W263-L267 HydrophobicContact CE3-CD1 3.66Å; W263-L267 HydrophobicContact CZ3-CD1 4.18Å; P264-L267 PolarHBondContact O-N 3.04Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 3.07Å; L267-F270 WeakPolarHBondContact O-CB 3.17Å; L267-F270 PolarHBondContact O-N 3.45Å; L267-V271 WeakPolarHBondContact O-CG2 3.27Å; L267-V271 PolarHBondContact O-N 3.15Å |
| 268 | D | 97.8 | Very high | 95 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 174.6 | -44.7 | -12.7 | 0 | 0 | 0 | 110.2 | Y257 W263 P264 V265 F270 V271 E272 | Y257-D268 WeakPolarHBondContact OH-CA 3.46Å; Y257-D268 WeakPolarHBondContact OH-CB 3.41Å; Y257-D268 PolarHBondContact OH-OD1 2.74Å; W263-D268 VanDerWaalsContact CB-OD1 3.31Å; W263-D268 WeakPolarHBondContact CB-OD1 3.3Å; P264-D268 PolarHBondContact O-N 3.17Å; V265-D268 WeakPolarHBondContact CA-OD2 3.32Å; V265-D268 PolarHBondContact O-N 2.71Å; D268-F270 VanDerWaalsContact C-N 3.26Å; D268-F270 PolarHBondContact O-N 3.21Å; D268-V271 PolarHBondContact O-N 3.45Å; D268-V271 VanDerWaalsContact O-N 3.16Å; D268-E272 PolarHBondContact O-N 3.12Å |
| 269 | E | 97.9 | Very high | 94 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -32.5 | 175.1 | -72.8 | -179.7 | 171.2 | 0 | 0 | 112.2 | F226 K231 Y232 V265 W273 | F226-E269 HydrophobicContact CE2-CB 4.17Å; F226-E269 HydrophobicContact CZ-CB 3.93Å; K231-E269 VanDerWaalsContact CE-OE1 3.23Å; K231-E269 WeakPolarHBondContact CE-OE1 3.45Å; K231-E269 IonicContact NZ-OE1 2.65Å; K231-E269 PolarHBondContact NZ-OE1 3.36Å; K231-E269 IonicContact NZ-OE2 3.81Å; Y232-E269 WeakPolarHBondContact CE2-OE2 3.47Å; Y232-E269 VanDerWaalsContact OH-CD 3.26Å; Y232-E269 PolarHBondContact OH-OE2 3.44Å; V265-E269 HydrophobicContact CG1-CG 4.15Å; V265-E269 WeakPolarHBondContact O-CB 3.29Å; V265-E269 WeakPolarHBondContact O-CG 3.4Å; V265-E269 PolarHBondContact O-N 2.98Å; E269-W273 WeakPolarHBondContact O-CB 3.45Å; E269-W273 PolarHBondContact O-N 2.7Å |
| 270 | F | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 174.1 | 166.1 | -116.8 | 0 | 0 | 0 | 111.9 | V222 F223 F226 F246 L266 L267 D268 W273 Y274 | V222-F270 HydrophobicContact CG2-CE2 4.36Å; V222-F270 HydrophobicContact CG2-CZ 4.23Å; F223-F270 HydrophobicContact CB-CE2 3.97Å; F223-F270 HydrophobicContact CB-CZ 4.02Å; F223-F270 HydrophobicContact CD2-CB 4.26Å; F223-F270 AromaticContact CD2-CD1 3.84Å; F223-F270 HydrophobicContact CD2-CD1 3.84Å; F223-F270 AromaticContact CD2-CD2 3.71Å; F223-F270 HydrophobicContact CD2-CD2 3.71Å; F223-F270 HydrophobicContact CD2-CE1 4.08Å; F223-F270 AromaticContact CD2-CE2 3.96Å; F223-F270 HydrophobicContact CD2-CE2 3.96Å; F223-F270 AromaticContact CD2-CG 3.64Å; F223-F270 HydrophobicContact CD2-CG 3.64Å; F223-F270 HydrophobicContact CD2-CZ 4.14Å; F223-F270 HydrophobicContact CE2-CB 4.26Å; F223-F270 HydrophobicContact CE2-CD1 4.35Å; F223-F270 HydrophobicContact CE2-CG 4.11Å; F223-F270 HydrophobicContact CG-CE2 4.49Å; F226-F270 HydrophobicContact CB-CD2 3.76Å; F226-F270 HydrophobicContact CB-CE2 4.33Å; F226-F270 HydrophobicContact CD1-CB 3.81Å; F226-F270 AromaticContact CD1-CD2 3.94Å; F226-F270 HydrophobicContact CD1-CD2 3.94Å; F226-F270 HydrophobicContact CD1-CG 4.26Å; F226-F270 HydrophobicContact CD2-CB 4.44Å; F226-F270 HydrophobicContact CD2-CD2 4.46Å; F226-F270 HydrophobicContact CE1-CB 3.73Å; F226-F270 HydrophobicContact CE2-CB 4.36Å; F226-F270 HydrophobicContact CG-CB 4.17Å; F226-F270 AromaticContact CG-CD2 3.8Å; F226-F270 HydrophobicContact CG-CD2 3.8Å; F226-F270 HydrophobicContact CG-CG 4.46Å; F226-F270 HydrophobicContact CZ-CB 4.01Å; F246-F270 HydrophobicContact CE1-CD1 4.21Å; F246-F270 AromaticContact CE1-CE1 3.91Å; F246-F270 HydrophobicContact CE1-CE1 3.91Å; F246-F270 HydrophobicContact CZ-CD1 4.08Å; F246-F270 HydrophobicContact CZ-CE1 4.1Å; L266-F270 PolarHBondContact O-N 2.65Å; L266-F270 VanDerWaalsContact O-N 3.12Å; L267-F270 WeakPolarHBondContact O-CB 3.17Å; L267-F270 PolarHBondContact O-N 3.45Å; D268-F270 VanDerWaalsContact C-N 3.26Å; D268-F270 PolarHBondContact O-N 3.21Å; F270-W273 HydrophobicContact CD2-CE3 4.4Å; F270-W273 HydrophobicContact CE2-CZ3 4.49Å; F270-W273 PolarHBondContact O-N 3.09Å; F270-Y274 VanDerWaalsContact O-CB 3.32Å; F270-Y274 WeakPolarHBondContact O-CB 3.47Å; F270-Y274 PolarHBondContact O-N 3.39Å |
| 271 | V | 97.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F246 L254 Y257 L267 D268 Y274 K275 | F246-V271 HydrophobicContact CE2-CG2 3.93Å; F246-V271 HydrophobicContact CZ-CG2 3.79Å; L254-V271 HydrophobicContact CD1-CB 4.36Å; L254-V271 HydrophobicContact CD1-CG1 4.05Å; L254-V271 HydrophobicContact CD1-CG2 4.19Å; Y257-V271 HydrophobicContact CD1-CB 4.16Å; Y257-V271 HydrophobicContact CD1-CG1 3.66Å; Y257-V271 HydrophobicContact CD1-CG2 3.95Å; Y257-V271 HydrophobicContact CD2-CG2 3.87Å; Y257-V271 HydrophobicContact CE1-CB 4.02Å; Y257-V271 HydrophobicContact CE1-CG1 3.92Å; Y257-V271 HydrophobicContact CE1-CG2 3.96Å; Y257-V271 HydrophobicContact CE2-CG2 3.91Å; Y257-V271 HydrophobicContact CG-CG1 4.22Å; Y257-V271 HydrophobicContact CG-CG2 3.88Å; L267-V271 WeakPolarHBondContact O-CG2 3.27Å; L267-V271 PolarHBondContact O-N 3.15Å; D268-V271 PolarHBondContact O-N 3.45Å; D268-V271 VanDerWaalsContact O-N 3.16Å; V271-Y274 PolarHBondContact O-N 3.34Å; V271-K275 HydrophobicContact CG1-CD 4.05Å; V271-K275 HydrophobicContact CG1-CG 4.44Å; V271-K275 WeakPolarHBondContact O-CG 3.45Å; V271-K275 PolarHBondContact O-N 3.47Å |
| 272 | E | 96.2 | Very high | 92.1 | Very high | 119 Ų | 119 | 67.3 Ų | 67.3 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57 | -54.6 | 175.4 | -176.2 | 177.7 | -156.1 | 0 | 0 | 110.8 | D268 Y274 K275 E276 | D268-E272 PolarHBondContact O-N 3.12Å; E272-Y274 VanDerWaalsContact C-N 3.26Å; E272-Y274 PolarHBondContact O-N 3.32Å; E272-K275 PolarHBondContact O-N 3.34Å; E272-K275 VanDerWaalsContact O-N 3.16Å; E272-E276 WeakPolarHBondContact O-CG 3.47Å; E272-E276 PolarHBondContact O-N 2.98Å |
| 273 | W | 96.6 | Very high | 91.9 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.6 | -37.3 | 179 | 175.7 | 94.8 | 0 | 0 | 0 | 113.1 | Q225 F226 E269 F270 R277 | Q225-W273 HydrophobicContact CB-CH2 4.16Å; Q225-W273 HydrophobicContact CG-CH2 4.11Å; Q225-W273 HydrophobicContact CG-CZ2 4.29Å; F226-W273 HydrophobicContact CB-CD2 4.08Å; F226-W273 HydrophobicContact CB-CE3 3.83Å; F226-W273 HydrophobicContact CB-CH2 3.98Å; F226-W273 HydrophobicContact CB-CZ2 4.17Å; F226-W273 HydrophobicContact CB-CZ3 3.82Å; F226-W273 HydrophobicContact CD2-CB 3.94Å; F226-W273 AromaticContact CD2-CD2 3.92Å; F226-W273 HydrophobicContact CD2-CD2 3.92Å; F226-W273 HydrophobicContact CD2-CE3 4.3Å; F226-W273 AromaticContact CD2-CG 3.78Å; F226-W273 HydrophobicContact CD2-CG 3.78Å; F226-W273 HydrophobicContact CE2-CB 4.24Å; F226-W273 HydrophobicContact CE2-CG 4.46Å; F226-W273 HydrophobicContact CG-CD2 4.47Å; F226-W273 HydrophobicContact CG-CE3 4.48Å; E269-W273 WeakPolarHBondContact O-CB 3.45Å; E269-W273 PolarHBondContact O-N 2.7Å; F270-W273 HydrophobicContact CD2-CE3 4.4Å; F270-W273 HydrophobicContact CE2-CZ3 4.49Å; F270-W273 PolarHBondContact O-N 3.09Å; W273-R277 WeakPolarHBondContact O-CG 3.44Å; W273-R277 PolarHBondContact O-N 3.39Å |
| 274 | Y | 95.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 66.2 Ų | 66.2 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 178.5 | -175.6 | -94 | 0 | 0 | 0 | 111.6 | L219 V222 L254 F270 V271 E272 R277 Q278 | L219-Y274 HydrophobicContact CD2-CE2 4.29Å; V222-Y274 HydrophobicContact CB-CD2 4.27Å; V222-Y274 HydrophobicContact CB-CE2 4.18Å; V222-Y274 HydrophobicContact CG1-CE2 4.23Å; V222-Y274 HydrophobicContact CG2-CD2 4.04Å; V222-Y274 HydrophobicContact CG2-CE2 3.81Å; L254-Y274 HydrophobicContact CD1-CD1 3.42Å; L254-Y274 VanDerWaalsContact CD1-CD1 3.42Å; L254-Y274 HydrophobicContact CD1-CE1 4.12Å; L254-Y274 HydrophobicContact CD1-CG 3.97Å; L254-Y274 HydrophobicContact CG-CD1 4.31Å; F270-Y274 VanDerWaalsContact O-CB 3.32Å; F270-Y274 WeakPolarHBondContact O-CB 3.47Å; F270-Y274 PolarHBondContact O-N 3.39Å; V271-Y274 PolarHBondContact O-N 3.34Å; E272-Y274 VanDerWaalsContact C-N 3.26Å; E272-Y274 PolarHBondContact O-N 3.32Å; Y274-R277 PolarHBondContact O-N 3.19Å; Y274-Q278 HydrophobicContact CD1-CG 4.28Å; Y274-Q278 HydrophobicContact CE1-CG 3.93Å; Y274-Q278 WeakPolarHBondContact O-CG 3.46Å; Y274-Q278 PolarHBondContact O-N 3.3Å; Y274-Q278 PolarHBondContact OH-NE2 3.48Å; Y274-Q278 VanDerWaalsContact OH-NE2 3.09Å |
| 275 | K | 93.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.4 | -74.6 | 176 | -179.6 | 176.9 | 0 | 111.6 | E259 V271 E272 R277 Q278 M279 | E259-K275 IonicContact OE1-NZ 3.73Å; E259-K275 PolarHBondContact OE1-NZ 3.04Å; V271-K275 HydrophobicContact CG1-CD 4.05Å; V271-K275 HydrophobicContact CG1-CG 4.44Å; V271-K275 WeakPolarHBondContact O-CG 3.45Å; V271-K275 PolarHBondContact O-N 3.47Å; E272-K275 PolarHBondContact O-N 3.34Å; E272-K275 VanDerWaalsContact O-N 3.16Å; K275-R277 VanDerWaalsContact C-N 3.26Å; K275-R277 PolarHBondContact O-N 3.15Å; K275-Q278 PolarHBondContact O-N 3.38Å; K275-M279 WeakPolarHBondContact O-CG 3.19Å; K275-M279 PolarHBondContact O-N 2.88Å |
| 276 | E | 92.8 | Very high | 90.8 | Very high | 121 Ų | 121 | 68.1 Ų | 68.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.9 | -39 | 178.5 | -72.7 | -176.2 | 160.1 | 0 | 0 | 112.5 | E272 M279 S280 | E272-E276 WeakPolarHBondContact O-CG 3.47Å; E272-E276 PolarHBondContact O-N 2.98Å; E276-M279 PolarHBondContact O-N 3.4Å; E276-S280 PolarHBondContact O-N 3.34Å |
| 277 | R | 89.2 | Confident | 90.2 | Very high | 102 Ų | 102 | 72.9 Ų | 72.9 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74 | -25.1 | -179.9 | -75.5 | -178.5 | 159.7 | -157.1 | -2.9 | 114.7 | Q225 W273 Y274 K275 M279 | Q225-R277 VanDerWaalsContact CD-NH1 3.28Å; W273-R277 WeakPolarHBondContact O-CG 3.44Å; W273-R277 PolarHBondContact O-N 3.39Å; Y274-R277 PolarHBondContact O-N 3.19Å; K275-R277 VanDerWaalsContact C-N 3.26Å; K275-R277 PolarHBondContact O-N 3.15Å; R277-M279 VanDerWaalsContact C-N 3.31Å |
| 278 | Q | 81.6 | Confident | 89.6 | Confident | 125 Ų | 125 | 78.4 Ų | 78.4 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -79.2 | -19.8 | 174.7 | -66.2 | -67.4 | -4.6 | 0 | 0 | 112.1 | Y274 K275 | Y274-Q278 HydrophobicContact CD1-CG 4.28Å; Y274-Q278 HydrophobicContact CE1-CG 3.93Å; Y274-Q278 WeakPolarHBondContact O-CG 3.46Å; Y274-Q278 PolarHBondContact O-N 3.3Å; Y274-Q278 PolarHBondContact OH-NE2 3.48Å; Y274-Q278 VanDerWaalsContact OH-NE2 3.09Å; K275-Q278 PolarHBondContact O-N 3.38Å |
| 279 | M | 72.8 | Confident | 88.9 | Confident | 163 Ų | 163 | 81.3 Ų | 81.3 | 80% | 0.803 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -91.3 | -13.8 | 178.3 | -64.2 | -176.8 | -167.8 | 0 | 0 | 113.5 | K275 E276 R277 | K275-M279 WeakPolarHBondContact O-CG 3.19Å; K275-M279 PolarHBondContact O-N 2.88Å; E276-M279 PolarHBondContact O-N 3.4Å; R277-M279 VanDerWaalsContact C-N 3.31Å |
| 280 | S | 54.8 | Low | 88.1 | Confident | 155 Ų | 155 | 84.8 Ų | 84.8 | 100% | 1.084 | 42% | 0.417 | S | S | * | . | trans | -92.4 | 0 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | E276 | E276-S280 PolarHBondContact O-N 3.34Š|
Retrieved 280 of 280 residues in 476.8 ms
(Link to these results)