| 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 | 25.2 | Very low | 31.9 | Very low | 246 Ų | 246 | 111 Ų | 111 | 100% | 1.212 | 62% | 0.623 | S | S | * | * | 0 | 155.3 | 0 | -95.4 | -166.2 | 164.7 | 0 | 0 | 109.2 | |||||
| 2 | S | 26 | Very low | 32.9 | Very low | 113 Ų | 113 | 109.6 Ų | 109.6 | 79% | 0.79 | 61% | 0.605 | S | S | * | * | trans | 69.3 | 69.2 | -174.1 | -60.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | T | 26.8 | Very low | 33.7 | Very low | 130 Ų | 130 | 105.2 Ų | 105.2 | 80% | 0.798 | 59% | 0.586 | S | S | * | * | trans | 12.3 | 119 | 136.6 | 55.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 4 | S | 30.1 | Very low | 34.2 | Very low | 81 Ų | 81 | 106.5 Ų | 106.5 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | trans | -137.8 | 61.7 | 172 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | C6 H7 | S4-C6 PolarHBondContact O-N 3.16Å; S4-H7 PolarHBondContact O-N 3.07Å | ||
| 5 | N | 34.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 104.9 Ų | 104.9 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -3.9 | 174.5 | -57.4 | 38.5 | 0 | 0 | 0 | 115.5 | S9 | N5-S9 PolarHBondContact O-N 3.22Å; N5-S9 PolarHBondContact O-OG 3.48Å |
| 6 | C | 30.2 | Very low | 35.6 | Very low | 69 Ų | 69 | 103.2 Ų | 103.2 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -49.8 | -48.1 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 113.4 | S4 S9 N10 | S4-C6 PolarHBondContact O-N 3.16Å; C6-S9 PolarHBondContact O-OG 3.46Å; C6-N10 WeakPolarHBondContact O-CB 3.17Å; C6-N10 PolarHBondContact O-N 3.32Å; C6-N10 PolarHBondContact O-ND2 3.5Å; C6-N10 PolarHBondContact O-OD1 3.02Å |
| 7 | H | 34.9 | Very low | 36.2 | Very low | 122 Ų | 122 | 101.6 Ų | 101.6 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.3 | -45.5 | -175.5 | -66.2 | -96.1 | 0 | 0 | 0 | 110.7 | S4 S9 N10 I11 | S4-H7 PolarHBondContact O-N 3.07Å; H7-S9 PolarHBondContact O-N 2.7Å; H7-N10 PolarHBondContact O-N 3.32Å; H7-N10 VanDerWaalsContact O-N 3.13Å; H7-I11 WeakPolarHBondContact O-CB 3.45Å; H7-I11 VanDerWaalsContact O-CG1 3.31Å; H7-I11 WeakPolarHBondContact O-CG1 3.27Å; H7-I11 PolarHBondContact O-N 3.49Å |
| 8 | F | 32.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 97.3 Ų | 97.3 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 177.2 | -121.7 | -86 | 0 | 0 | 0 | 113.1 | N10 K12 W110 | F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.36Å; F8-K12 VanDerWaalsContact O-CB 3.27Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 2.85Å; F8-W110 AromaticContact CE1-CD1 3.79Å; F8-W110 HydrophobicContact CZ-CB 4.28Å; F8-W110 AromaticContact CZ-CD1 3.92Å; F8-W110 HydrophobicContact CZ-CG 4.31Å |
| 9 | S | 38.1 | Very low | 37.1 | Very low | 67 Ų | 67 | 94.3 Ų | 94.3 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 113 | N5 C6 H7 S13 | N5-S9 PolarHBondContact O-N 3.22Å; N5-S9 PolarHBondContact O-OG 3.48Å; C6-S9 PolarHBondContact O-OG 3.46Å; H7-S9 PolarHBondContact O-N 2.7Å; S9-S13 WeakPolarHBondContact O-CB 3.33Å; S9-S13 PolarHBondContact O-N 3.01Å; S9-S13 PolarHBondContact O-OG 3.28Å |
| 10 | N | 37.5 | Very low | 37.7 | Very low | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.3 | -46.6 | -179.4 | -66.2 | -9.9 | 0 | 0 | 0 | 110.9 | C6 H7 F8 S13 L14 | C6-N10 WeakPolarHBondContact O-CB 3.17Å; C6-N10 PolarHBondContact O-N 3.32Å; C6-N10 PolarHBondContact O-ND2 3.5Å; C6-N10 PolarHBondContact O-OD1 3.02Å; H7-N10 PolarHBondContact O-N 3.32Å; H7-N10 VanDerWaalsContact O-N 3.13Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.36Å; N10-S13 PolarHBondContact O-N 3.37Å; N10-S13 PolarHBondContact O-OG 2.81Å; N10-L14 WeakPolarHBondContact O-CB 3.17Å; N10-L14 PolarHBondContact O-N 3.35Å |
| 11 | I | 35.9 | Very low | 38.1 | Very low | 73 Ų | 73 | 97.5 Ų | 97.5 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.5 | -66.5 | 164.6 | 0 | 0 | 0 | 110.1 | H7 S13 L14 F15 F96 | H7-I11 WeakPolarHBondContact O-CB 3.45Å; H7-I11 VanDerWaalsContact O-CG1 3.31Å; H7-I11 WeakPolarHBondContact O-CG1 3.27Å; H7-I11 PolarHBondContact O-N 3.49Å; I11-S13 PolarHBondContact O-N 3.2Å; I11-L14 WeakPolarHBondContact O-CB 3.13Å; I11-L14 PolarHBondContact O-N 2.76Å; I11-F15 PolarHBondContact O-N 2.96Å; I11-F96 HydrophobicContact CD1-CZ 4.37Å |
| 12 | K | 43.1 | Very low | 38.9 | Very low | 94 Ų | 94 | 88.2 Ų | 88.2 | 41% | 0.409 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 174.3 | 176.1 | 163 | -178.4 | 169.9 | 0 | 111.9 | F8 L14 F15 D16 | F8-K12 VanDerWaalsContact O-CB 3.27Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 2.85Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.03Å; K12-F15 PolarHBondContact O-N 2.66Å; K12-F15 VanDerWaalsContact O-N 3.13Å; K12-D16 WeakPolarHBondContact CE-OD2 3.07Å; K12-D16 VanDerWaalsContact CG-OD2 3.28Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 WeakPolarHBondContact O-CB 3.16Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 2.87Å |
| 13 | S | 43.1 | Very low | 39.8 | Very low | 52 Ų | 52 | 88.6 Ų | 88.6 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -31 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | S9 N10 I11 N17 | S9-S13 WeakPolarHBondContact O-CB 3.33Å; S9-S13 PolarHBondContact O-N 3.01Å; S9-S13 PolarHBondContact O-OG 3.28Å; N10-S13 PolarHBondContact O-N 3.37Å; N10-S13 PolarHBondContact O-OG 2.81Å; I11-S13 PolarHBondContact O-N 3.2Å; S13-N17 WeakPolarHBondContact O-CB 3.28Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-ND2 3.41Å |
| 14 | L | 41.9 | Very low | 40.6 | Very low | 124 Ų | 124 | 85.5 Ų | 85.5 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 172.7 | -106.5 | 160.7 | 0 | 0 | 0 | 111.2 | N10 I11 K12 A18 | N10-L14 WeakPolarHBondContact O-CB 3.17Å; N10-L14 PolarHBondContact O-N 3.35Å; I11-L14 WeakPolarHBondContact O-CB 3.13Å; I11-L14 PolarHBondContact O-N 2.76Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.03Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.06Å |
| 15 | F | 41.8 | Very low | 40.9 | Very low | 83 Ų | 83 | 86.1 Ų | 86.1 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.8 | -47.7 | 177.1 | -165.8 | -96.9 | 0 | 0 | 0 | 112.3 | I11 K12 N17 A18 V19 L88 | I11-F15 PolarHBondContact O-N 2.96Å; K12-F15 PolarHBondContact O-N 2.66Å; K12-F15 VanDerWaalsContact O-N 3.13Å; F15-N17 PolarHBondContact O-N 2.97Å; F15-A18 PolarHBondContact O-N 2.73Å; F15-V19 HydrophobicContact CD1-CG2 4.2Å; F15-V19 HydrophobicContact CE1-CG2 3.87Å; F15-V19 HydrophobicContact CZ-CG2 4.11Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.44Å; F15-L88 HydrophobicContact CE2-CD1 3.95Å; F15-L88 HydrophobicContact CE2-CD2 3.73Å; F15-L88 HydrophobicContact CZ-CD1 3.93Å; F15-L88 HydrophobicContact CZ-CD2 4.49Å |
| 16 | D | 48.3 | Very low | 41.1 | Very low | 77 Ų | 77 | 81.6 Ų | 81.6 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 175.5 | -66.2 | -22 | 0 | 0 | 0 | 109.7 | K12 V19 E20 | K12-D16 WeakPolarHBondContact CE-OD2 3.07Å; K12-D16 VanDerWaalsContact CG-OD2 3.28Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 WeakPolarHBondContact O-CB 3.16Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 2.87Å; D16-V19 PolarHBondContact O-N 3.43Å; D16-E20 VanDerWaalsContact O-CB 3.22Å; D16-E20 WeakPolarHBondContact O-CB 3.3Å; D16-E20 PolarHBondContact O-N 2.74Å |
| 17 | N | 45.8 | Very low | 41.1 | Very low | 77 Ų | 77 | 84.9 Ų | 84.9 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.9 | -76 | -45.8 | 0 | 0 | 0 | 112.7 | S13 F15 V19 E20 N21 | S13-N17 WeakPolarHBondContact O-CB 3.28Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-ND2 3.41Å; F15-N17 PolarHBondContact O-N 2.97Å; N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 2.97Å; N17-E20 PolarHBondContact O-N 3.49Å; N17-N21 WeakPolarHBondContact O-CB 3.27Å; N17-N21 PolarHBondContact O-N 3.05Å; N17-N21 PolarHBondContact O-ND2 3.16Å |
| 18 | A | 43.8 | Very low | 41.2 | Very low | 23 Ų | 23 | 83.9 Ų | 83.9 | 19% | 0.19 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.7 | -33 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 F15 G22 E23 I24 | L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.06Å; F15-A18 PolarHBondContact O-N 2.73Å; A18-G22 PolarHBondContact O-N 3.32Å; A18-E23 PolarHBondContact O-N 3.32Å; A18-E23 VanDerWaalsContact O-N 3.07Å; A18-I24 HydrophobicContact CB-CG1 4.32Å |
| 19 | V | 46.1 | Very low | 41.2 | Very low | 40 Ų | 40 | 80.8 Ų | 80.8 | 24% | 0.242 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -77.3 | -35.9 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 112 | F15 D16 N17 I24 C60 | F15-V19 HydrophobicContact CD1-CG2 4.2Å; F15-V19 HydrophobicContact CE1-CG2 3.87Å; F15-V19 HydrophobicContact CZ-CG2 4.11Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.44Å; D16-V19 PolarHBondContact O-N 3.43Å; N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 2.97Å; V19-I24 HydrophobicContact CG2-CD1 4.29Å; V19-C60 HydrophobicContact CG1-CB 4.3Å |
| 20 | E | 48.4 | Very low | 41 | Very low | 162 Ų | 162 | 79.9 Ų | 79.9 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -79 | -36.3 | -179.4 | -170.5 | 162.3 | -143 | 0 | 0 | 112.9 | D16 N17 | D16-E20 VanDerWaalsContact O-CB 3.22Å; D16-E20 WeakPolarHBondContact O-CB 3.3Å; D16-E20 PolarHBondContact O-N 2.74Å; N17-E20 PolarHBondContact O-N 3.49Å |
| 21 | N | 47.2 | Very low | 40.8 | Very low | 95 Ų | 95 | 79.5 Ų | 79.5 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.1 | 176.8 | -63.1 | -21.9 | 0 | 0 | 0 | 113.5 | N17 E23 | N17-N21 WeakPolarHBondContact O-CB 3.27Å; N17-N21 PolarHBondContact O-N 3.05Å; N17-N21 PolarHBondContact O-ND2 3.16Å; N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 HydrophobicContact CB-CB 4.34Å; N21-E23 HydrophobicContact CB-CG 3.67Å; N21-E23 WeakPolarHBondContact CB-OE2 3.3Å; N21-E23 PolarHBondContact ND2-OE2 3.06Å |
| 22 | G | 41.1 | Very low | 40.9 | Very low | 50 Ų | 50 | 83.3 Ų | 83.3 | 52% | 0.515 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 23.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A18 I24 | A18-G22 PolarHBondContact O-N 3.32Å; G22-I24 PolarHBondContact O-N 3.16Å |
| 23 | E | 44.8 | Very low | 40.5 | Very low | 122 Ų | 122 | 81.6 Ų | 81.6 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | trans | -76.8 | 1.7 | -175.3 | -76.2 | 173.9 | 135.7 | 0 | 0 | 114 | A18 N21 T25 | A18-E23 PolarHBondContact O-N 3.32Å; A18-E23 VanDerWaalsContact O-N 3.07Å; N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 HydrophobicContact CB-CB 4.34Å; N21-E23 HydrophobicContact CB-CG 3.67Å; N21-E23 WeakPolarHBondContact CB-OE2 3.3Å; N21-E23 PolarHBondContact ND2-OE2 3.06Å; E23-T25 PolarHBondContact O-N 2.88Å | ||
| 24 | I | 43.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 83.6 Ų | 83.6 | 33% | 0.333 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -69.9 | 78 | 164 | -53.9 | -179.8 | 0 | 0 | 0 | 108.4 | A18 V19 G22 F29 | A18-I24 HydrophobicContact CB-CG1 4.32Å; V19-I24 HydrophobicContact CG2-CD1 4.29Å; G22-I24 PolarHBondContact O-N 3.16Å; I24-F29 HydrophobicContact CG2-CD2 4.01Å; I24-F29 HydrophobicContact CG2-CE2 3.62Å |
| 25 | T | 38.3 | Very low | 40.1 | Very low | 93 Ų | 93 | 84.2 Ų | 84.2 | 57% | 0.571 | 45% | 0.448 | S | S | * | . | trans | -74.6 | 136.9 | -168.8 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | E23 L27 E28 | E23-T25 PolarHBondContact O-N 2.88Å; T25-L27 PolarHBondContact O-N 3.07Å; T25-E28 PolarHBondContact O-N 3.47Å | ||
| 26 | V | 37.3 | Very low | 40 | Very low | 36 Ų | 36 | 84 Ų | 84 | 22% | 0.218 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.2 | -166 | 179.6 | 0 | 0 | 0 | 0 | 115 | E28 T30 D53 M56 | V26-E28 PolarHBondContact O-N 3.32Å; V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.17Å; V26-T30 PolarHBondContact O-N 3.25Å; V26-T30 PolarHBondContact O-OG1 2.7Å; V26-D53 VanDerWaalsContact CG1-OD1 3.29Å; V26-D53 WeakPolarHBondContact CG1-OD1 3.45Å; V26-M56 HydrophobicContact CG2-CB 4.5Å |
| 27 | L | 29.9 | Very low | 39.3 | Very low | 138 Ų | 138 | 85.8 Ų | 85.8 | 72% | 0.723 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.8 | -30.9 | -175.7 | -86 | 74.1 | 0 | 0 | 0 | 114.1 | T25 T30 T31 | T25-L27 PolarHBondContact O-N 3.07Å; L27-T30 PolarHBondContact O-OG1 3.12Å; L27-T31 WeakPolarHBondContact O-CG2 3.11Å; L27-T31 PolarHBondContact O-OG1 2.66Å |
| 28 | E | 37.3 | Very low | 39 | Very low | 100 Ų | 100 | 86 Ų | 86 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -85.4 | -20.4 | -174.1 | -126 | -167.7 | 175.2 | 0 | 0 | 113.6 | T25 V26 T31 R91 | T25-E28 PolarHBondContact O-N 3.47Å; V26-E28 PolarHBondContact O-N 3.32Å; E28-T31 PolarHBondContact O-OG1 2.74Å; E28-R91 VanDerWaalsContact CD-NH2 3.32Å; E28-R91 IonicContact OE1-NH2 3.88Å; E28-R91 IonicContact OE2-CZ 3.72Å; E28-R91 IonicContact OE2-NH1 2.96Å; E28-R91 PolarHBondContact OE2-NH1 2.96Å; E28-R91 IonicContact OE2-NH2 2.74Å; E28-R91 PolarHBondContact OE2-NH2 3.49Å |
| 29 | F | 32.4 | Very low | 38.9 | Very low | 41 Ų | 41 | 89 Ų | 89 | 18% | 0.18 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -85.9 | -43.2 | 175.1 | -96.1 | -83.7 | 0 | 0 | 0 | 112.2 | I24 T31 R32 L33 M56 V87 | I24-F29 HydrophobicContact CG2-CD2 4.01Å; I24-F29 HydrophobicContact CG2-CE2 3.62Å; F29-T31 VanDerWaalsContact C-N 3.35Å; F29-T31 PolarHBondContact O-N 3.19Å; F29-R32 PolarHBondContact O-N 2.79Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.4Å; F29-L33 VanDerWaalsContact O-CG 3.26Å; F29-L33 WeakPolarHBondContact O-CG 3.23Å; F29-L33 PolarHBondContact O-N 2.96Å; F29-M56 HydrophobicContact CB-CE 3.65Å; F29-M56 HydrophobicContact CB-SD 3.61Å; F29-M56 HydrophobicContact CD1-CE 3.4Å; F29-M56 VanDerWaalsContact CD1-CE 3.4Å; F29-M56 HydrophobicContact CD1-SD 4.44Å; F29-M56 HydrophobicContact CD2-CE 4.12Å; F29-M56 HydrophobicContact CD2-SD 4.31Å; F29-M56 HydrophobicContact CE1-CE 4.01Å; F29-M56 HydrophobicContact CG-CE 3.45Å; F29-M56 VanDerWaalsContact CG-CE 3.45Å; F29-M56 HydrophobicContact CG-SD 3.89Å; F29-V87 HydrophobicContact CE1-CG1 3.97Å; F29-V87 HydrophobicContact CZ-CG1 3.94Å |
| 30 | T | 33.6 | Very low | 38.8 | Very low | 48 Ų | 48 | 89.5 Ų | 89.5 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 179.9 | 43.7 | 0 | 0 | 0 | 0 | 112.2 | V26 L27 S34 | V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.17Å; V26-T30 PolarHBondContact O-N 3.25Å; V26-T30 PolarHBondContact O-OG1 2.7Å; L27-T30 PolarHBondContact O-OG1 3.12Å; T30-S34 PolarHBondContact O-N 2.74Å; T30-S34 PolarHBondContact O-OG 3.44Å |
| 31 | T | 34.2 | Very low | 39.2 | Very low | 77 Ų | 77 | 83.8 Ų | 83.8 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.1 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | L27 E28 F29 S34 | L27-T31 WeakPolarHBondContact O-CG2 3.11Å; L27-T31 PolarHBondContact O-OG1 2.66Å; E28-T31 PolarHBondContact O-OG1 2.74Å; F29-T31 VanDerWaalsContact C-N 3.35Å; F29-T31 PolarHBondContact O-N 3.19Å; T31-S34 PolarHBondContact O-N 3.34Å; T31-S34 PolarHBondContact O-OG 3.16Å |
| 32 | R | 36.9 | Very low | 39.7 | Very low | 153 Ų | 153 | 83.9 Ų | 83.9 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.3 | -28.9 | 177.5 | -69.2 | -166 | 171.3 | -163.3 | -2.1 | 113.7 | F29 S34 E35 I36 | F29-R32 PolarHBondContact O-N 2.79Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 2.73Å; R32-E35 PolarHBondContact O-N 2.83Å; R32-E35 VanDerWaalsContact O-N 3.08Å; R32-I36 PolarHBondContact O-N 3.14Å |
| 33 | L | 36.1 | Very low | 41 | Very low | 57 Ų | 57 | 88.8 Ų | 88.8 | 30% | 0.298 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -27 | 172.7 | -77.4 | 171.1 | 0 | 0 | 0 | 112.8 | F29 E35 I36 V52 | F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.4Å; F29-L33 VanDerWaalsContact O-CG 3.26Å; F29-L33 WeakPolarHBondContact O-CG 3.23Å; F29-L33 PolarHBondContact O-N 2.96Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-I36 HydrophobicContact CD2-CD1 4.24Å; L33-V52 HydrophobicContact CD1-CG1 4Å; L33-V52 HydrophobicContact CD1-CG2 4.15Å |
| 34 | S | 35.9 | Very low | 41.3 | Very low | 95 Ų | 95 | 87.8 Ų | 87.8 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.3 | 170.2 | 36.7 | 0 | 0 | 0 | 0 | 114.7 | T30 T31 R32 | T30-S34 PolarHBondContact O-N 2.74Å; T30-S34 PolarHBondContact O-OG 3.44Å; T31-S34 PolarHBondContact O-N 3.34Å; T31-S34 PolarHBondContact O-OG 3.16Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 2.73Å |
| 35 | E | 40.9 | Very low | 41.6 | Very low | 136 Ų | 136 | 89.6 Ų | 89.6 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -27.1 | 178.3 | -64.1 | 171.2 | 155.2 | 0 | 0 | 111.9 | R32 L33 S37 | R32-E35 PolarHBondContact O-N 2.83Å; R32-E35 VanDerWaalsContact O-N 3.08Å; L33-E35 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 2.7Å; E35-S37 PolarHBondContact O-OG 3.31Å |
| 36 | I | 37.9 | Very low | 42.7 | Very low | 78 Ų | 78 | 92.4 Ų | 92.4 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -66.2 | 102.7 | 170.5 | -54.6 | -176.1 | 0 | 0 | 0 | 108.7 | R32 L33 I38 | R32-I36 PolarHBondContact O-N 3.14Å; L33-I36 HydrophobicContact CD2-CD1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.28Å; I36-I38 HydrophobicContact CG2-CG1 3.76Å; I36-I38 PolarHBondContact O-N 3.08Å |
| 37 | S | 34.4 | Very low | 43.6 | Very low | 115 Ų | 115 | 93.7 Ų | 93.7 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | trans | -77.2 | 61.6 | -172.4 | -69.6 | 0 | 0 | 0 | 0 | 113.3 | E35 | E35-S37 PolarHBondContact O-N 2.7Å; E35-S37 PolarHBondContact O-OG 3.31Å | ||
| 38 | I | 40.4 | Very low | 44.3 | Very low | 81 Ų | 81 | 90.7 Ų | 90.7 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | trans | -71.4 | 135.9 | 170.8 | -37 | 179.5 | 0 | 0 | 0 | 109 | I36 L40 K45 | I36-I38 HydrophobicContact CG2-CD1 4.28Å; I36-I38 HydrophobicContact CG2-CG1 3.76Å; I36-I38 PolarHBondContact O-N 3.08Å; I38-L40 HydrophobicContact CB-CD1 4.14Å; I38-L40 HydrophobicContact CB-CG 4.01Å; I38-L40 HydrophobicContact CD1-CD1 4.25Å; I38-L40 HydrophobicContact CG2-CD1 4.14Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.72Å; I38-L40 PolarHBondContact O-N 3.49Å; I38-K45 WeakPolarHBondContact O-CE 3.37Å; I38-K45 PolarHBondContact O-NZ 3.27Å | ||
| 39 | G | 40.1 | Very low | 44.8 | Very low | 87 Ų | 87 | 88 Ų | 88 | 90% | 0.897 | 49% | 0.492 | S | S | * | . | trans | -70.5 | 30.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 40 | L | 45.3 | Very low | 45.8 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | trans | -71.1 | 143.8 | 178 | -66.2 | 173.3 | 0 | 0 | 0 | 111.6 | I38 E44 K45 L48 | I38-L40 HydrophobicContact CB-CD1 4.14Å; I38-L40 HydrophobicContact CB-CG 4.01Å; I38-L40 HydrophobicContact CD1-CD1 4.25Å; I38-L40 HydrophobicContact CG2-CD1 4.14Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.72Å; I38-L40 PolarHBondContact O-N 3.49Å; L40-E44 WeakPolarHBondContact CA-OE2 3.4Å; L40-E44 HydrophobicContact CB-CB 3.95Å; L40-E44 HydrophobicContact CD2-CB 4.13Å; L40-E44 HydrophobicContact CG-CB 4.46Å; L40-K45 HydrophobicContact CB-CD 4.47Å; L40-K45 HydrophobicContact CB-CG 3.73Å; L40-K45 HydrophobicContact CD1-CG 4.49Å; L40-K45 VanDerWaalsContact O-CE 3.27Å; L40-K45 WeakPolarHBondContact O-CE 3.35Å; L40-L48 HydrophobicContact CD1-CD2 3.87Å | ||
| 41 | S | 55.6 | Low | 46.5 | Very low | 41 Ų | 41 | 97.7 Ų | 97.7 | 29% | 0.287 | 53% | 0.528 | S | S | . | . | trans | -53.1 | 148.9 | 167.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | E43 E44 K45 | S41-E43 PolarHBondContact O-N 3.23Å; S41-E43 PolarHBondContact OG-N 2.7Å; S41-E44 WeakPolarHBondContact CB-OE2 3.3Å; S41-E44 PolarHBondContact N-OE2 3.26Å; S41-E44 PolarHBondContact O-N 3.38Å; S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 3.19Å | ||
| 42 | P | 59.2 | Low | 47 | Very low | 98 Ų | 98 | 95 Ų | 95 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.1 | -26.3 | 169.7 | -26.6 | 35.7 | 0 | 0 | 0 | 114.1 | K46 | P42-K46 VanDerWaalsContact O-CG 3.3Å; P42-K46 WeakPolarHBondContact O-CG 3.06Å; P42-K46 PolarHBondContact O-N 3Å |
| 43 | E | 66.4 | Low | 47.5 | Very low | 153 Ų | 153 | 90.5 Ų | 90.5 | 72% | 0.715 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.4 | -42.2 | 175.9 | -62.2 | 172.6 | 145 | 0 | 0 | 111.5 | S41 K46 S47 | S41-E43 PolarHBondContact O-N 3.23Å; S41-E43 PolarHBondContact OG-N 2.7Å; E43-K46 PolarHBondContact O-N 2.76Å; E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.31Å |
| 44 | E | 51.3 | Low | 48.3 | Very low | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 174.2 | -68 | 172.7 | 133.1 | 0 | 0 | 111.4 | L40 S41 K46 S47 L48 | L40-E44 WeakPolarHBondContact CA-OE2 3.4Å; L40-E44 HydrophobicContact CB-CB 3.95Å; L40-E44 HydrophobicContact CD2-CB 4.13Å; L40-E44 HydrophobicContact CG-CB 4.46Å; S41-E44 WeakPolarHBondContact CB-OE2 3.3Å; S41-E44 PolarHBondContact N-OE2 3.26Å; S41-E44 PolarHBondContact O-N 3.38Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.96Å; E44-S47 PolarHBondContact O-N 2.81Å; E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.42Å; E44-L48 PolarHBondContact O-N 3.19Å |
| 45 | K | 49.8 | Very low | 48.7 | Very low | 103 Ų | 103 | 87.6 Ų | 87.6 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -40 | 173.6 | -69.3 | -173.3 | 177.1 | -174.4 | 0 | 111.7 | I38 L40 S41 A49 | I38-K45 WeakPolarHBondContact O-CE 3.37Å; I38-K45 PolarHBondContact O-NZ 3.27Å; L40-K45 HydrophobicContact CB-CD 4.47Å; L40-K45 HydrophobicContact CB-CG 3.73Å; L40-K45 HydrophobicContact CD1-CG 4.49Å; L40-K45 VanDerWaalsContact O-CE 3.27Å; L40-K45 WeakPolarHBondContact O-CE 3.35Å; S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 3.19Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 2.87Å |
| 46 | K | 61.1 | Low | 48.8 | Very low | 153 Ų | 153 | 83.7 Ų | 83.7 | 67% | 0.665 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 172.2 | -76.9 | 173.7 | -179.4 | -179.8 | 0 | 112.4 | P42 E43 E44 A49 Q50 | P42-K46 VanDerWaalsContact O-CG 3.3Å; P42-K46 WeakPolarHBondContact O-CG 3.06Å; P42-K46 PolarHBondContact O-N 3Å; E43-K46 PolarHBondContact O-N 2.76Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.96Å; K46-A49 PolarHBondContact O-N 3.09Å; K46-Q50 VanDerWaalsContact O-CB 3.3Å; K46-Q50 WeakPolarHBondContact O-CB 3.26Å; K46-Q50 PolarHBondContact O-N 3.31Å |
| 47 | S | 56.8 | Low | 49.2 | Very low | 63 Ų | 63 | 87 Ų | 87 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 178 | -171.1 | 0 | 0 | 0 | 0 | 112 | E43 E44 Q50 R51 | E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.31Å; E44-S47 PolarHBondContact O-N 2.81Å; S47-Q50 PolarHBondContact O-N 3.01Å; S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 PolarHBondContact O-N 3.29Å |
| 48 | L | 44.1 | Very low | 49.7 | Very low | 74 Ų | 74 | 83.3 Ų | 83.3 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 175.1 | -177.3 | 61.8 | 0 | 0 | 0 | 111.1 | L40 E44 Q50 R51 V52 | L40-L48 HydrophobicContact CD1-CD2 3.87Å; E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.42Å; E44-L48 PolarHBondContact O-N 3.19Å; L48-Q50 PolarHBondContact O-N 2.83Å; L48-R51 PolarHBondContact O-N 2.8Å; L48-V52 HydrophobicContact CD1-CG2 4.25Å; L48-V52 HydrophobicContact CG-CG2 4.46Å; L48-V52 WeakPolarHBondContact O-CB 3.42Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 3.05Å |
| 49 | A | 48.4 | Very low | 50.2 | Low | 45 Ų | 45 | 82.1 Ų | 82.1 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K45 K46 R51 V52 D53 | K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 2.87Å; K46-A49 PolarHBondContact O-N 3.09Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.42Å; A49-V52 PolarHBondContact O-N 2.83Å; A49-D53 WeakPolarHBondContact O-CB 3.14Å; A49-D53 PolarHBondContact O-N 2.87Å |
| 50 | Q | 54.1 | Low | 50.4 | Low | 148 Ų | 148 | 80.4 Ų | 80.4 | 69% | 0.692 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.3 | -38.2 | 177.2 | -172.9 | 179.2 | 11.2 | 0 | 0 | 112.5 | K46 S47 L48 S54 | K46-Q50 VanDerWaalsContact O-CB 3.3Å; K46-Q50 WeakPolarHBondContact O-CB 3.26Å; K46-Q50 PolarHBondContact O-N 3.31Å; S47-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 PolarHBondContact O-N 2.83Å; Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 VanDerWaalsContact O-N 3.12Å; Q50-S54 PolarHBondContact O-OG 3.24Å |
| 51 | R | 47.4 | Very low | 50.6 | Low | 143 Ų | 143 | 84.7 Ų | 84.7 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 175.2 | -176 | 171.4 | -72.3 | 172.5 | -3 | 110.8 | S47 L48 A49 D53 S54 E55 | S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 PolarHBondContact O-N 3.29Å; L48-R51 PolarHBondContact O-N 2.8Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.42Å; R51-D53 PolarHBondContact O-N 3.45Å; R51-S54 CarbonylContact O-C 3.54Å; R51-S54 WeakPolarHBondContact O-CA 3.5Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-S54 PolarHBondContact O-OG 3.23Å; R51-E55 WeakPolarHBondContact CD-OE1 3.24Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 WeakPolarHBondContact CG-OE1 3.36Å; R51-E55 WeakPolarHBondContact O-CB 3.41Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.46Å |
| 52 | V | 45.5 | Very low | 50.5 | Low | 20 Ų | 20 | 86.8 Ų | 86.8 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L33 L48 A49 S54 E55 M56 | L33-V52 HydrophobicContact CD1-CG1 4Å; L33-V52 HydrophobicContact CD1-CG2 4.15Å; L48-V52 HydrophobicContact CD1-CG2 4.25Å; L48-V52 HydrophobicContact CG-CG2 4.46Å; L48-V52 WeakPolarHBondContact O-CB 3.42Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 3.05Å; A49-V52 PolarHBondContact O-N 2.83Å; V52-S54 PolarHBondContact O-N 2.89Å; V52-E55 PolarHBondContact O-N 3.2Å; V52-M56 HydrophobicContact CG1-CE 3.74Å; V52-M56 HydrophobicContact CG1-CG 4.09Å; V52-M56 HydrophobicContact CG1-SD 3.53Å; V52-M56 VanDerWaalsContact CG1-SD 3.53Å; V52-M56 WeakPolarHBondContact O-CB 3.17Å; V52-M56 WeakPolarHBondContact O-CG 3.31Å; V52-M56 PolarHBondContact O-N 3.2Å |
| 53 | D | 47.7 | Very low | 50.1 | Low | 59 Ų | 59 | 83.4 Ų | 83.4 | 32% | 0.316 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -20.8 | 175.7 | -83.9 | -21.5 | 0 | 0 | 0 | 114.3 | V26 A49 R51 K57 | V26-D53 VanDerWaalsContact CG1-OD1 3.29Å; V26-D53 WeakPolarHBondContact CG1-OD1 3.45Å; A49-D53 WeakPolarHBondContact O-CB 3.14Å; A49-D53 PolarHBondContact O-N 2.87Å; R51-D53 PolarHBondContact O-N 3.45Å; D53-K57 VanDerWaalsContact O-CD 3.27Å; D53-K57 WeakPolarHBondContact O-CD 3.31Å; D53-K57 WeakPolarHBondContact O-CE 3.1Å; D53-K57 WeakPolarHBondContact O-CG 3.3Å; D53-K57 PolarHBondContact O-NZ 3.5Å |
| 54 | S | 52.8 | Low | 49.4 | Very low | 61 Ų | 61 | 78.5 Ų | 78.5 | 43% | 0.427 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -93.2 | -27.5 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 113 | Q50 R51 V52 | Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 VanDerWaalsContact O-N 3.12Å; Q50-S54 PolarHBondContact O-OG 3.24Å; R51-S54 CarbonylContact O-C 3.54Å; R51-S54 WeakPolarHBondContact O-CA 3.5Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-S54 PolarHBondContact O-OG 3.23Å; V52-S54 PolarHBondContact O-N 2.89Å |
| 55 | E | 43.6 | Very low | 49.5 | Very low | 30 Ų | 30 | 78.8 Ų | 78.8 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -94.4 | -36.2 | -179 | -70.1 | -177.4 | -154.3 | 0 | 0 | 112 | R51 V52 K57 M58 I63 H67 | R51-E55 WeakPolarHBondContact CD-OE1 3.24Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 WeakPolarHBondContact CG-OE1 3.36Å; R51-E55 WeakPolarHBondContact O-CB 3.41Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.46Å; V52-E55 PolarHBondContact O-N 3.2Å; E55-K57 PolarHBondContact O-N 2.99Å; E55-M58 WeakPolarHBondContact O-CA 3.44Å; E55-M58 WeakPolarHBondContact O-CB 3.41Å; E55-M58 WeakPolarHBondContact O-CG 3.39Å; E55-M58 PolarHBondContact O-N 3.33Å; E55-I63 VanDerWaalsContact O-CD1 3.31Å; E55-I63 WeakPolarHBondContact O-CD1 3.26Å; E55-I63 WeakPolarHBondContact O-CG1 3.39Å; E55-H67 IonicContact OE1-CE1 3.35Å; E55-H67 IonicContact OE1-NE2 3.5Å; E55-H67 IonicContact OE2-CD2 3.19Å; E55-H67 IonicContact OE2-CE1 2.71Å; E55-H67 IonicContact OE2-NE2 2.74Å; E55-H67 PolarHBondContact OE2-NE2 3.34Å |
| 56 | M | 42.8 | Very low | 49.7 | Very low | 54 Ų | 54 | 79.9 Ų | 79.9 | 27% | 0.266 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.6 | 175 | -70.7 | -173.4 | 173.4 | 0 | 0 | 114.3 | V26 F29 V52 M58 | V26-M56 HydrophobicContact CG2-CB 4.5Å; F29-M56 HydrophobicContact CB-CE 3.65Å; F29-M56 HydrophobicContact CB-SD 3.61Å; F29-M56 HydrophobicContact CD1-CE 3.4Å; F29-M56 VanDerWaalsContact CD1-CE 3.4Å; F29-M56 HydrophobicContact CD1-SD 4.44Å; F29-M56 HydrophobicContact CD2-CE 4.12Å; F29-M56 HydrophobicContact CD2-SD 4.31Å; F29-M56 HydrophobicContact CE1-CE 4.01Å; F29-M56 HydrophobicContact CG-CE 3.45Å; F29-M56 VanDerWaalsContact CG-CE 3.45Å; F29-M56 HydrophobicContact CG-SD 3.89Å; V52-M56 HydrophobicContact CG1-CE 3.74Å; V52-M56 HydrophobicContact CG1-CG 4.09Å; V52-M56 HydrophobicContact CG1-SD 3.53Å; V52-M56 VanDerWaalsContact CG1-SD 3.53Å; V52-M56 WeakPolarHBondContact O-CB 3.17Å; V52-M56 WeakPolarHBondContact O-CG 3.31Å; V52-M56 PolarHBondContact O-N 3.2Å; M56-M58 VanDerWaalsContact C-N 3.27Å |
| 57 | K | 47.4 | Very low | 49.3 | Very low | 148 Ų | 148 | 74.5 Ų | 74.5 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.1 | 167.5 | -70 | 175.8 | -173 | 128.8 | 0 | 113 | D53 E55 | D53-K57 VanDerWaalsContact O-CD 3.27Å; D53-K57 WeakPolarHBondContact O-CD 3.31Å; D53-K57 WeakPolarHBondContact O-CE 3.1Å; D53-K57 WeakPolarHBondContact O-CG 3.3Å; D53-K57 PolarHBondContact O-NZ 3.5Å; E55-K57 PolarHBondContact O-N 2.99Å |
| 58 | M | 43.8 | Very low | 49 | Very low | 38 Ų | 38 | 75.9 Ų | 75.9 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -94.6 | 135.4 | 172.5 | -48.6 | -69.3 | -62.4 | 0 | 0 | 108 | E55 M56 Q62 I63 R66 | E55-M58 WeakPolarHBondContact O-CA 3.44Å; E55-M58 WeakPolarHBondContact O-CB 3.41Å; E55-M58 WeakPolarHBondContact O-CG 3.39Å; E55-M58 PolarHBondContact O-N 3.33Å; M56-M58 VanDerWaalsContact C-N 3.27Å; M58-Q62 HydrophobicContact CB-CB 4.17Å; M58-Q62 HydrophobicContact CE-CB 3.82Å; M58-I63 HydrophobicContact CB-CG1 3.9Å; M58-R66 VanDerWaalsContact CE-CZ 3.48Å; M58-R66 VanDerWaalsContact CE-NH2 3.33Å |
| 59 | P | 52 | Low | 49.3 | Very low | 56 Ų | 56 | 76.3 Ų | 76.3 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | trans | -59.6 | 148.4 | 170.9 | 26.2 | -34.3 | 0 | 0 | 0 | 109.8 | K61 Q62 I63 | P59-K61 PolarHBondContact O-N 3.33Å; P59-Q62 HydrophobicContact CG-CB 4.18Å; P59-Q62 HydrophobicContact CG-CG 3.91Å; P59-Q62 WeakPolarHBondContact O-CA 3.38Å; P59-Q62 PolarHBondContact O-N 3Å; P59-I63 PolarHBondContact O-N 2.82Å | ||
| 60 | C | 43.7 | Very low | 49.2 | Very low | 51 Ų | 51 | 78.6 Ų | 78.6 | 35% | 0.345 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -52 | -32.9 | -172.2 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | V19 Q62 I63 L64 | V19-C60 HydrophobicContact CG1-CB 4.3Å; C60-Q62 PolarHBondContact O-N 3.48Å; C60-I63 PolarHBondContact O-N 3.3Å; C60-L64 WeakPolarHBondContact O-CG 3.29Å; C60-L64 PolarHBondContact O-N 2.84Å |
| 61 | K | 49.1 | Very low | 49.1 | Very low | 140 Ų | 140 | 78.9 Ų | 78.9 | 61% | 0.609 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57.3 | -43.9 | 172 | 178.1 | 173.9 | 172.2 | 177.2 | 0 | 113.3 | P59 L64 E65 | P59-K61 PolarHBondContact O-N 3.33Å; K61-L64 PolarHBondContact O-N 3.03Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.44Å |
| 62 | Q | 53.8 | Low | 49.3 | Very low | 85 Ų | 85 | 75.5 Ų | 75.5 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76.6 | -25.1 | 179.2 | -69.5 | 177.4 | 7.4 | 0 | 0 | 112.7 | M58 P59 C60 R66 | M58-Q62 HydrophobicContact CB-CB 4.17Å; M58-Q62 HydrophobicContact CE-CB 3.82Å; P59-Q62 HydrophobicContact CG-CB 4.18Å; P59-Q62 HydrophobicContact CG-CG 3.91Å; P59-Q62 WeakPolarHBondContact O-CA 3.38Å; P59-Q62 PolarHBondContact O-N 3Å; C60-Q62 PolarHBondContact O-N 3.48Å; Q62-R66 WeakPolarHBondContact O-CB 3.4Å; Q62-R66 WeakPolarHBondContact O-CG 3.47Å; Q62-R66 PolarHBondContact O-N 2.78Å |
| 63 | I | 51.3 | Low | 49.7 | Very low | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.138 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 167.8 | -56.6 | 177.5 | 0 | 0 | 0 | 109.3 | E55 M58 P59 C60 R66 H67 | E55-I63 VanDerWaalsContact O-CD1 3.31Å; E55-I63 WeakPolarHBondContact O-CD1 3.26Å; E55-I63 WeakPolarHBondContact O-CG1 3.39Å; M58-I63 HydrophobicContact CB-CG1 3.9Å; P59-I63 PolarHBondContact O-N 2.82Å; C60-I63 PolarHBondContact O-N 3.3Å; I63-R66 PolarHBondContact O-N 3.44Å; I63-H67 PolarHBondContact O-CD2 3.31Å; I63-H67 PolarHBondContact O-N 3.37Å |
| 64 | L | 50.5 | Low | 50.1 | Low | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.3 | -72.8 | 163.8 | 0 | 0 | 0 | 112 | C60 K61 R66 H67 S68 Q81 | C60-L64 WeakPolarHBondContact O-CG 3.29Å; C60-L64 PolarHBondContact O-N 2.84Å; K61-L64 PolarHBondContact O-N 3.03Å; L64-R66 PolarHBondContact O-N 2.92Å; L64-H67 PolarHBondContact O-N 3.46Å; L64-S68 WeakPolarHBondContact O-CB 3.37Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.42Å; L64-Q81 HydrophobicContact CD2-CG 4.35Å |
| 65 | E | 54.7 | Low | 50.1 | Low | 106 Ų | 106 | 84 Ų | 84 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 178.1 | -75.6 | 170.3 | 167.4 | 0 | 0 | 112.6 | K61 | K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.44Å |
| 66 | R | 53.3 | Low | 50.7 | Low | 126 Ų | 126 | 87.6 Ų | 87.6 | 48% | 0.475 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -57 | 172.9 | -81.6 | -176.8 | 175.9 | 174.2 | 4.3 | 111.6 | M58 Q62 I63 L64 S68 S69 | M58-R66 VanDerWaalsContact CE-CZ 3.48Å; M58-R66 VanDerWaalsContact CE-NH2 3.33Å; Q62-R66 WeakPolarHBondContact O-CB 3.4Å; Q62-R66 WeakPolarHBondContact O-CG 3.47Å; Q62-R66 PolarHBondContact O-N 2.78Å; I63-R66 PolarHBondContact O-N 3.44Å; L64-R66 PolarHBondContact O-N 2.92Å; R66-S68 PolarHBondContact O-N 3.28Å; R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 2.87Å; R66-S69 PolarHBondContact O-OG 3.25Å |
| 67 | H | 51.9 | Low | 51.4 | Low | 40 Ų | 40 | 85.6 Ų | 85.6 | 19% | 0.185 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.6 | -14.8 | -174.5 | -67.1 | -54.8 | 0 | 0 | 0 | 113.9 | E55 I63 L64 S69 | E55-H67 IonicContact OE1-CE1 3.35Å; E55-H67 IonicContact OE1-NE2 3.5Å; E55-H67 IonicContact OE2-CD2 3.19Å; E55-H67 IonicContact OE2-CE1 2.71Å; E55-H67 IonicContact OE2-NE2 2.74Å; E55-H67 PolarHBondContact OE2-NE2 3.34Å; I63-H67 PolarHBondContact O-CD2 3.31Å; I63-H67 PolarHBondContact O-N 3.37Å; L64-H67 PolarHBondContact O-N 3.46Å; H67-S69 PolarHBondContact O-N 2.87Å |
| 68 | S | 51.9 | Low | 51.9 | Low | 91 Ų | 91 | 81.4 Ų | 81.4 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -5.2 | 168.9 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | L64 R66 | L64-S68 WeakPolarHBondContact O-CB 3.37Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.42Å; R66-S68 PolarHBondContact O-N 3.28Å |
| 69 | S | 48.9 | Very low | 52.7 | Low | 84 Ų | 84 | 80.6 Ų | 80.6 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -102.8 | -15.2 | -174.9 | 71.5 | 0 | 0 | 0 | 0 | 115.4 | R66 H67 | R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 2.87Å; R66-S69 PolarHBondContact O-OG 3.25Å; H67-S69 PolarHBondContact O-N 2.87Å |
| 70 | D | 46.7 | Very low | 53.1 | Low | 92 Ų | 92 | 80.9 Ų | 80.9 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | trans | -104.6 | 100.4 | 179.9 | -94.3 | -28.1 | 0 | 0 | 0 | 111.8 | G72 N73 | D70-G72 PolarHBondContact O-N 2.93Å; D70-N73 HydrophobicContact CB-CB 4.16Å; D70-N73 PolarHBondContact O-N 3.45Å; D70-N73 PolarHBondContact OD2-ND2 3.44Å | ||
| 71 | N | 52.5 | Low | 54 | Low | 154 Ų | 154 | 79.3 Ų | 79.3 | 82% | 0.824 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -0.1 | 177.2 | -66.3 | -3.7 | 0 | 0 | 0 | 115 | ||
| 72 | G | 52.2 | Low | 54.7 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -14.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | D70 | D70-G72 PolarHBondContact O-N 2.93Š|
| 73 | N | 53.4 | Low | 55.1 | Low | 54 Ų | 54 | 71.1 Ų | 71.1 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | trans | -107 | 5.7 | -168.1 | -74.2 | -38.4 | 0 | 0 | 0 | 114.3 | D70 R75 L76 S77 | D70-N73 HydrophobicContact CB-CB 4.16Å; D70-N73 PolarHBondContact O-N 3.45Å; D70-N73 PolarHBondContact OD2-ND2 3.44Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 2.98Å; N73-R75 VanDerWaalsContact O-N 3.1Å; N73-L76 PolarHBondContact O-N 3.36Å; N73-S77 PolarHBondContact O-N 3.19Å | ||
| 74 | E | 55.3 | Low | 55.6 | Low | 104 Ų | 104 | 72.9 Ų | 72.9 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -48.1 | -43.6 | -177.9 | -80.4 | -164.8 | -135.4 | 0 | 0 | 113.8 | L76 S77 R78 | E74-L76 PolarHBondContact O-N 3.43Å; E74-S77 PolarHBondContact O-N 3.39Å; E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 VanDerWaalsContact O-CG 3.27Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 2.86Å; E74-R78 IonicContact OE2-CZ 2.75Å; E74-R78 IonicContact OE2-NE 3.58Å; E74-R78 PolarHBondContact OE2-NE 3.17Å; E74-R78 IonicContact OE2-NH2 3.77Å; E74-R78 PolarHBondContact OE2-NH2 3.37Å |
| 75 | R | 54 | Low | 56.3 | Low | 160 Ų | 160 | 70.6 Ų | 70.6 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 179.7 | -170.2 | 180 | -176.6 | -165.7 | 2.4 | 112.2 | N73 E79 E135 | N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 2.98Å; N73-R75 VanDerWaalsContact O-N 3.1Å; R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 PolarHBondContact O-N 3.46Å; R75-E135 IonicContact CZ-OE1 2.74Å; R75-E135 IonicContact CZ-OE2 3.89Å; R75-E135 IonicContact NH2-OE1 3.99Å; R75-E135 PolarHBondContact NH2-OE1 3.2Å; R75-E135 IonicContact NH2-OE2 3.75Å; R75-E135 PolarHBondContact NH2-OE2 2.9Å |
| 76 | L | 55.2 | Low | 56.6 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.8 | -36.3 | 176 | -74.7 | 168.8 | 0 | 0 | 0 | 111.6 | N73 E74 L80 | N73-L76 PolarHBondContact O-N 3.36Å; E74-L76 PolarHBondContact O-N 3.43Å; L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 PolarHBondContact O-N 3.13Å |
| 77 | S | 57 | Low | 56.9 | Low | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -52.5 | 175 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | N73 E74 E79 L80 Q81 | N73-S77 PolarHBondContact O-N 3.19Å; E74-S77 PolarHBondContact O-N 3.39Å; S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact O-N 3.31Å; S77-L80 PolarHBondContact O-N 2.86Å; S77-Q81 WeakPolarHBondContact O-CB 3.38Å; S77-Q81 WeakPolarHBondContact O-CG 3.11Å; S77-Q81 PolarHBondContact O-N 3.26Å |
| 78 | R | 58.6 | Low | 57.2 | Low | 60 Ų | 60 | 61.4 Ų | 61.4 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177 | -66.5 | 170.9 | -168.7 | -131.9 | 13.3 | 112 | E74 F82 C121 E127 F131 | E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 VanDerWaalsContact O-CG 3.27Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 2.86Å; E74-R78 IonicContact OE2-CZ 2.75Å; E74-R78 IonicContact OE2-NE 3.58Å; E74-R78 PolarHBondContact OE2-NE 3.17Å; E74-R78 IonicContact OE2-NH2 3.77Å; E74-R78 PolarHBondContact OE2-NH2 3.37Å; R78-F82 VanDerWaalsContact O-CB 3.28Å; R78-F82 WeakPolarHBondContact O-CB 3.44Å; R78-F82 PolarHBondContact O-N 2.97Å; R78-C121 PolarHBondContact NH1-SG 2.97Å; R78-E127 IonicContact CZ-OE2 2.86Å; R78-E127 IonicContact NH1-OE2 3.95Å; R78-E127 PolarHBondContact NH1-OE2 2.92Å; R78-E127 IonicContact NH2-OE2 3.71Å; R78-E127 PolarHBondContact NH2-OE2 3.1Å; R78-F131 HydrophobicContact CB-CE2 4.3Å |
| 79 | E | 60.9 | Low | 57.4 | Low | 20 Ų | 20 | 57.1 Ų | 57.1 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -49 | 174.5 | 178.5 | 70.7 | -140.8 | 0 | 0 | 112 | R75 S77 F82 Q83 R139 Y140 | R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 PolarHBondContact O-N 3.46Å; S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact O-N 3.31Å; E79-F82 PolarHBondContact O-N 3.1Å; E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.49Å; E79-Q83 PolarHBondContact OE1-NE2 3.13Å; E79-R139 IonicContact OE1-CZ 3.87Å; E79-R139 IonicContact OE1-NH1 3.32Å; E79-R139 PolarHBondContact OE1-NH1 2.86Å; E79-R139 IonicContact OE1-NH2 3.12Å; E79-R139 IonicContact OE2-CZ 3.77Å; E79-R139 VanDerWaalsContact OE2-CZ 3.32Å; E79-R139 IonicContact OE2-NH1 2.66Å; E79-R139 PolarHBondContact OE2-NH1 2.83Å; E79-R139 IonicContact OE2-NH2 2.7Å; E79-R139 PolarHBondContact OE2-NH2 2.82Å; E79-Y140 PolarHBondContact OE1-OH 3.42Å |
| 80 | L | 59.4 | Low | 57.6 | Low | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 178 | -176.6 | 68 | 0 | 0 | 0 | 111.5 | L76 S77 F82 Q83 I84 | L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 PolarHBondContact O-N 3.13Å; S77-L80 PolarHBondContact O-N 2.86Å; L80-F82 VanDerWaalsContact C-N 3.3Å; L80-F82 PolarHBondContact O-N 2.87Å; L80-Q83 PolarHBondContact O-N 2.96Å; L80-I84 HydrophobicContact CG-CD1 4.22Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.27Å; L80-I84 PolarHBondContact O-N 2.91Å |
| 81 | Q | 63 | Low | 57.8 | Low | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 173.8 | -71.5 | 167.5 | -21 | 0 | 0 | 111.8 | L64 S77 I84 L85 L120 | L64-Q81 HydrophobicContact CD2-CG 4.35Å; S77-Q81 WeakPolarHBondContact O-CB 3.38Å; S77-Q81 WeakPolarHBondContact O-CG 3.11Å; S77-Q81 PolarHBondContact O-N 3.26Å; Q81-I84 PolarHBondContact O-N 2.87Å; Q81-L85 PolarHBondContact O-N 3.29Å; Q81-L120 HydrophobicContact CB-CD1 3.98Å; Q81-L120 HydrophobicContact CB-CD2 3.75Å; Q81-L120 HydrophobicContact CB-CG 3.71Å; Q81-L120 HydrophobicContact CG-CG 4.39Å |
| 82 | F | 63.6 | Low | 57.8 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.5 | -36.2 | 176 | -171.4 | -99.6 | 0 | 0 | 0 | 112.9 | R78 E79 L80 I84 L85 L86 W128 F131 L132 V136 Y140 L148 | R78-F82 VanDerWaalsContact O-CB 3.28Å; R78-F82 WeakPolarHBondContact O-CB 3.44Å; R78-F82 PolarHBondContact O-N 2.97Å; E79-F82 PolarHBondContact O-N 3.1Å; L80-F82 VanDerWaalsContact C-N 3.3Å; L80-F82 PolarHBondContact O-N 2.87Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-L85 HydrophobicContact CD2-CD2 3.88Å; F82-L85 HydrophobicContact CE2-CD2 3.97Å; F82-L85 WeakPolarHBondContact O-CB 3.34Å; F82-L85 PolarHBondContact O-N 3.28Å; F82-L86 HydrophobicContact CD1-CD1 4Å; F82-L86 HydrophobicContact CD1-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 3.58Å; F82-L86 HydrophobicContact CE1-CD2 4.03Å; F82-L86 HydrophobicContact CE1-CG 3.69Å; F82-L86 HydrophobicContact CZ-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD2 4.04Å; F82-L86 HydrophobicContact CZ-CG 4.13Å; F82-L86 WeakPolarHBondContact O-CG 3.17Å; F82-L86 PolarHBondContact O-N 2.73Å; F82-W128 HydrophobicContact CD2-CH2 4.32Å; F82-W128 HydrophobicContact CD2-CZ3 4.1Å; F82-W128 HydrophobicContact CE2-CZ3 4.21Å; F82-F131 HydrophobicContact CB-CE1 3.88Å; F82-F131 HydrophobicContact CB-CZ 3.87Å; F82-F131 HydrophobicContact CD1-CE1 4.31Å; F82-F131 AromaticContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CE2-CE1 4.43Å; F82-F131 AromaticContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CZ 4.1Å; F82-L132 HydrophobicContact CE2-CD2 3.82Å; F82-L132 HydrophobicContact CZ-CD2 3.89Å; F82-V136 HydrophobicContact CD1-CG1 3.98Å; F82-V136 HydrophobicContact CE1-CG1 3.26Å; F82-V136 HydrophobicContact CZ-CG1 3.63Å; F82-Y140 HydrophobicContact CE1-CD2 4.32Å; F82-L148 HydrophobicContact CE1-CD2 4.46Å; F82-L148 HydrophobicContact CZ-CD2 3.89Å |
| 83 | Q | 63.3 | Low | 57.6 | Low | 53 Ų | 53 | 49 Ų | 49 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 171.3 | -71.4 | 176.7 | 23.2 | 0 | 0 | 111.4 | E79 L80 L86 V87 Y140 | E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.49Å; E79-Q83 PolarHBondContact OE1-NE2 3.13Å; L80-Q83 PolarHBondContact O-N 2.96Å; Q83-L86 PolarHBondContact O-N 3.03Å; Q83-V87 WeakPolarHBondContact O-CB 3.36Å; Q83-V87 VanDerWaalsContact O-CG2 3.31Å; Q83-V87 WeakPolarHBondContact O-CG2 3.08Å; Q83-V87 PolarHBondContact O-N 3.43Å; Q83-Y140 WeakPolarHBondContact CG-OH 3.25Å; Q83-Y140 PolarHBondContact NE2-OH 3.43Å |
| 84 | I | 62.4 | Low | 56.9 | Low | 64 Ų | 64 | 50.4 Ų | 50.4 | 33% | 0.328 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 170 | -69.6 | 163.6 | 0 | 0 | 0 | 110.3 | L80 Q81 F82 L86 V87 L88 | L80-I84 HydrophobicContact CG-CD1 4.22Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.27Å; L80-I84 PolarHBondContact O-N 2.91Å; Q81-I84 PolarHBondContact O-N 2.87Å; F82-I84 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.46Å; I84-V87 PolarHBondContact O-N 3.42Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.49Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.48Å; I84-L88 PolarHBondContact O-N 2.86Å |
| 85 | L | 63.2 | Low | 56.4 | Low | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -48.1 | 175.4 | -175.9 | 72 | 0 | 0 | 0 | 111.7 | Q81 F82 L88 H89 L114 I115 | Q81-L85 PolarHBondContact O-N 3.29Å; F82-L85 HydrophobicContact CD2-CD2 3.88Å; F82-L85 HydrophobicContact CE2-CD2 3.97Å; F82-L85 WeakPolarHBondContact O-CB 3.34Å; F82-L85 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 3.12Å; L85-H89 VanDerWaalsContact O-CB 3.29Å; L85-H89 WeakPolarHBondContact O-CB 3.34Å; L85-H89 PolarHBondContact O-N 3.16Å; L85-L114 HydrophobicContact CD1-CD2 3.5Å; L85-I115 HydrophobicContact CD2-CD1 4.26Å; L85-I115 HydrophobicContact CD2-CG1 4.17Å |
| 86 | L | 62.7 | Low | 56 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.2 | -74.1 | -177.1 | 0 | 0 | 0 | 113.1 | F82 Q83 I84 H89 T90 Y140 F144 T147 | F82-L86 HydrophobicContact CD1-CD1 4Å; F82-L86 HydrophobicContact CD1-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 3.58Å; F82-L86 HydrophobicContact CE1-CD2 4.03Å; F82-L86 HydrophobicContact CE1-CG 3.69Å; F82-L86 HydrophobicContact CZ-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD2 4.04Å; F82-L86 HydrophobicContact CZ-CG 4.13Å; F82-L86 WeakPolarHBondContact O-CG 3.17Å; F82-L86 PolarHBondContact O-N 2.73Å; Q83-L86 PolarHBondContact O-N 3.03Å; I84-L86 PolarHBondContact O-N 3.46Å; L86-H89 PolarHBondContact O-N 3.26Å; L86-T90 PolarHBondContact O-N 2.89Å; L86-T90 PolarHBondContact O-OG1 3.41Å; L86-Y140 HydrophobicContact CD1-CD1 3.56Å; L86-Y140 HydrophobicContact CD1-CD2 3.92Å; L86-Y140 HydrophobicContact CD1-CE1 3.96Å; L86-Y140 HydrophobicContact CD1-CE2 4.29Å; L86-Y140 HydrophobicContact CD1-CG 3.55Å; L86-F144 HydrophobicContact CB-CD1 3.95Å; L86-F144 HydrophobicContact CB-CE1 3.7Å; L86-F144 HydrophobicContact CB-CG 4.48Å; L86-F144 HydrophobicContact CB-CZ 4.06Å; L86-F144 HydrophobicContact CD1-CD1 4.38Å; L86-F144 HydrophobicContact CD1-CD2 3.96Å; L86-F144 HydrophobicContact CD1-CE2 4.13Å; L86-F144 HydrophobicContact CD1-CG 4.1Å; L86-F144 HydrophobicContact CD1-CZ 4.42Å; L86-F144 HydrophobicContact CD2-CB 4Å; L86-F144 HydrophobicContact CD2-CD1 3.88Å; L86-F144 HydrophobicContact CD2-CG 3.94Å; L86-F144 HydrophobicContact CG-CD1 4.3Å; L86-F144 HydrophobicContact CG-CE1 4.48Å; L86-F144 HydrophobicContact CG-CG 4.42Å; L86-F144 WeakPolarHBondContact O-CE1 3.4Å; L86-T147 HydrophobicContact CD2-CG2 3.76Å |
| 87 | V | 59.7 | Low | 55.4 | Low | 42 Ų | 42 | 48.3 Ų | 48.3 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -35.1 | 179.5 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | F29 Q83 I84 T90 R91 | F29-V87 HydrophobicContact CE1-CG1 3.97Å; F29-V87 HydrophobicContact CZ-CG1 3.94Å; Q83-V87 WeakPolarHBondContact O-CB 3.36Å; Q83-V87 VanDerWaalsContact O-CG2 3.31Å; Q83-V87 WeakPolarHBondContact O-CG2 3.08Å; Q83-V87 PolarHBondContact O-N 3.43Å; I84-V87 PolarHBondContact O-N 3.42Å; V87-T90 PolarHBondContact O-OG1 2.97Å; V87-R91 WeakPolarHBondContact O-CG 3.29Å; V87-R91 PolarHBondContact O-N 2.85Å |
| 88 | L | 57.2 | Low | 54.7 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 171 | -68.9 | 177.7 | 0 | 0 | 0 | 111.3 | F15 I84 L85 R91 L92 L114 | F15-L88 HydrophobicContact CE2-CD1 3.95Å; F15-L88 HydrophobicContact CE2-CD2 3.73Å; F15-L88 HydrophobicContact CZ-CD1 3.93Å; F15-L88 HydrophobicContact CZ-CD2 4.49Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.49Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.48Å; I84-L88 PolarHBondContact O-N 2.86Å; L85-L88 PolarHBondContact O-N 3.12Å; L88-R91 PolarHBondContact O-N 2.71Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-L114 HydrophobicContact CD1-CD2 4.47Å |
| 89 | H | 57.3 | Low | 53.7 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 179.1 | -164 | -90.5 | 0 | 0 | 0 | 112.6 | L85 L86 L92 L93 T147 | L85-H89 VanDerWaalsContact O-CB 3.29Å; L85-H89 WeakPolarHBondContact O-CB 3.34Å; L85-H89 PolarHBondContact O-N 3.16Å; L86-H89 PolarHBondContact O-N 3.26Å; H89-L92 WeakPolarHBondContact O-CB 3.25Å; H89-L92 PolarHBondContact O-N 2.85Å; H89-L93 WeakPolarHBondContact O-CG 3.36Å; H89-L93 PolarHBondContact O-N 2.91Å; H89-T147 HydrophobicContact CB-CG2 4.04Å; H89-T147 PolarHBondContact CE1-OG1 2.95Å; H89-T147 WeakPolarHBondContact ND1-CG2 3.48Å; H89-T147 PolarHBondContact ND1-OG1 2.93Å |
| 90 | T | 52.4 | Low | 52.8 | Low | 38 Ų | 38 | 64.1 Ų | 64.1 | 23% | 0.233 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 174.3 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | L86 V87 L92 L93 C94 F144 | L86-T90 PolarHBondContact O-N 2.89Å; L86-T90 PolarHBondContact O-OG1 3.41Å; V87-T90 PolarHBondContact O-OG1 2.97Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.31Å; T90-L93 PolarHBondContact O-N 3.49Å; T90-C94 WeakPolarHBondContact O-CB 3.23Å; T90-C94 PolarHBondContact O-N 3.39Å; T90-C94 PolarHBondContact O-SG 2.84Å; T90-F144 HydrophobicContact CG2-CD1 3.57Å; T90-F144 HydrophobicContact CG2-CE1 3.4Å |
| 91 | R | 50.4 | Low | 51.9 | Low | 94 Ų | 94 | 69.4 Ų | 69.4 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 170.5 | -75 | -175.3 | -176.6 | -122.3 | 2 | 112.6 | E28 V87 L88 S95 | E28-R91 VanDerWaalsContact CD-NH2 3.32Å; E28-R91 IonicContact OE1-NH2 3.88Å; E28-R91 IonicContact OE2-CZ 3.72Å; E28-R91 IonicContact OE2-NH1 2.96Å; E28-R91 PolarHBondContact OE2-NH1 2.96Å; E28-R91 IonicContact OE2-NH2 2.74Å; E28-R91 PolarHBondContact OE2-NH2 3.49Å; V87-R91 WeakPolarHBondContact O-CG 3.29Å; V87-R91 PolarHBondContact O-N 2.85Å; L88-R91 PolarHBondContact O-N 2.71Å; R91-S95 WeakPolarHBondContact O-CB 3.38Å; R91-S95 PolarHBondContact O-N 2.83Å; R91-S95 PolarHBondContact O-OG 3.33Å |
| 92 | L | 52.3 | Low | 50.7 | Low | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.183 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.9 | -52.8 | 171 | -106.4 | 74.9 | 0 | 0 | 0 | 111.7 | L88 H89 T90 C94 S95 F96 L107 W110 | L88-L92 PolarHBondContact O-N 3.35Å; H89-L92 WeakPolarHBondContact O-CB 3.25Å; H89-L92 PolarHBondContact O-N 2.85Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.31Å; L92-C94 PolarHBondContact O-N 3.21Å; L92-S95 CarbonylContact O-C 3.56Å; L92-S95 WeakPolarHBondContact O-CA 3.28Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.27Å; L92-S95 PolarHBondContact O-N 2.89Å; L92-F96 HydrophobicContact CB-CE2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.24Å; L92-F96 HydrophobicContact CG-CE2 4.15Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 3.44Å; L92-L107 HydrophobicContact CD2-CD1 4.47Å; L92-W110 HydrophobicContact CD1-CH2 4.03Å; L92-W110 HydrophobicContact CD1-CZ2 4.36Å; L92-W110 HydrophobicContact CD2-CD2 4.29Å; L92-W110 HydrophobicContact CD2-CE3 3.97Å; L92-W110 HydrophobicContact CD2-CH2 3.67Å; L92-W110 HydrophobicContact CD2-CZ2 3.99Å; L92-W110 HydrophobicContact CD2-CZ3 3.66Å; L92-W110 HydrophobicContact CG-CH2 4.47Å |
| 93 | L | 48 | Very low | 49.7 | Very low | 63 Ų | 63 | 74.3 Ų | 74.3 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58 | -47.5 | -178.5 | -72.1 | -178.5 | 0 | 0 | 0 | 112.2 | H89 T90 S95 F96 E97 L107 T147 | H89-L93 WeakPolarHBondContact O-CG 3.36Å; H89-L93 PolarHBondContact O-N 2.91Å; T90-L93 PolarHBondContact O-N 3.49Å; L93-S95 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact O-N 3.09Å; L93-F96 CarbonylContact O-C 3.57Å; L93-F96 WeakPolarHBondContact O-CA 3.36Å; L93-F96 PolarHBondContact O-N 3.31Å; L93-E97 PolarHBondContact O-N 3.48Å; L93-L107 HydrophobicContact CD2-CD2 4.32Å; L93-T147 WeakPolarHBondContact CD1-OG1 3.32Å |
| 94 | C | 39.2 | Very low | 49.1 | Very low | 85 Ų | 85 | 76.5 Ų | 76.5 | 57% | 0.574 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -4.9 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | T90 L92 | T90-C94 WeakPolarHBondContact O-CB 3.23Å; T90-C94 PolarHBondContact O-N 3.39Å; T90-C94 PolarHBondContact O-SG 2.84Å; L92-C94 PolarHBondContact O-N 3.21Å |
| 95 | S | 44.4 | Very low | 48.7 | Very low | 98 Ų | 98 | 80.3 Ų | 80.3 | 69% | 0.685 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -6.8 | 167.7 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | R91 L92 L93 | R91-S95 WeakPolarHBondContact O-CB 3.38Å; R91-S95 PolarHBondContact O-N 2.83Å; R91-S95 PolarHBondContact O-OG 3.33Å; L92-S95 CarbonylContact O-C 3.56Å; L92-S95 WeakPolarHBondContact O-CA 3.28Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.27Å; L92-S95 PolarHBondContact O-N 2.89Å; L93-S95 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact O-N 3.09Å |
| 96 | F | 45.5 | Very low | 48.3 | Very low | 75 Ų | 75 | 85.8 Ų | 85.8 | 33% | 0.329 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -2.8 | 176.8 | -71.1 | -63.8 | 0 | 0 | 0 | 113.4 | I11 L92 L93 E98 A99 | I11-F96 HydrophobicContact CD1-CZ 4.37Å; L92-F96 HydrophobicContact CB-CE2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.24Å; L92-F96 HydrophobicContact CG-CE2 4.15Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 3.44Å; L93-F96 CarbonylContact O-C 3.57Å; L93-F96 WeakPolarHBondContact O-CA 3.36Å; L93-F96 PolarHBondContact O-N 3.31Å; F96-E98 PolarHBondContact O-N 3.02Å; F96-A99 PolarHBondContact O-N 2.88Å |
| 97 | E | 43.5 | Very low | 47.8 | Very low | 153 Ų | 153 | 87.1 Ų | 87.1 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8.2 | -176.3 | -149 | 156.2 | -155.5 | 0 | 0 | 114.2 | L93 | L93-E97 PolarHBondContact O-N 3.48Š|
| 98 | E | 41.8 | Very low | 47.5 | Very low | 204 Ų | 204 | 85.2 Ų | 85.2 | 95% | 0.953 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.2 | 169.8 | -64.3 | -174.9 | 144.1 | 0 | 0 | 113.8 | F96 | F96-E98 PolarHBondContact O-N 3.02Š|
| 99 | A | 38.3 | Very low | 47.6 | Very low | 57 Ų | 57 | 89.5 Ų | 89.5 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | trans | -142.2 | 89.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F96 M101 | F96-A99 PolarHBondContact O-N 2.88Å; A99-M101 PolarHBondContact O-N 3.44Å | ||
| 100 | D | 41.3 | Very low | 47.7 | Very low | 164 Ų | 164 | 91.4 Ų | 91.4 | 88% | 0.877 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | -1.7 | 178.1 | -100.3 | -25.3 | 0 | 0 | 0 | 119.5 | ||
| 101 | M | 39.9 | Very low | 47.9 | Very low | 172 Ų | 172 | 89.6 Ų | 89.6 | 85% | 0.847 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 22.5 | -156.4 | -71 | -82.2 | 95.7 | 0 | 0 | 115.5 | A99 A103 | A99-M101 PolarHBondContact O-N 3.44Å; M101-A103 PolarHBondContact O-N 3.4Å |
| 102 | C | 39.4 | Very low | 48.3 | Very low | 66 Ų | 66 | 86.6 Ų | 86.6 | 45% | 0.446 | 47% | 0.468 | S | S | . | . | trans | -87.2 | 104.6 | 172.1 | -145.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 103 | A | 42.7 | Very low | 48.7 | Very low | 55 Ų | 55 | 88.8 Ų | 88.8 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -66.1 | 133.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M101 H105 E106 | M101-A103 PolarHBondContact O-N 3.4Å; A103-H105 PolarHBondContact O-N 3.35Å; A103-E106 PolarHBondContact O-N 2.96Å | ||
| 104 | D | 50.6 | Low | 49.2 | Very low | 99 Ų | 99 | 86.6 Ų | 86.6 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -54.2 | -30.1 | -169.9 | -46 | -73 | 0 | 0 | 0 | 113.9 | L107 G108 | D104-L107 PolarHBondContact O-N 3.2Å; D104-G108 PolarHBondContact O-N 2.89Å |
| 105 | H | 52.2 | Low | 50.2 | Low | 144 Ų | 144 | 82.6 Ų | 82.6 | 67% | 0.667 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 178.4 | -55 | -30.2 | 0 | 0 | 0 | 113.4 | A103 L107 G108 D109 | A103-H105 PolarHBondContact O-N 3.35Å; H105-L107 VanDerWaalsContact C-N 3.33Å; H105-G108 PolarHBondContact O-N 3.38Å; H105-D109 PolarHBondContact O-N 3.11Å |
| 106 | E | 55.6 | Low | 51 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.2 | -34.4 | 178.7 | -67.5 | -167.3 | 178.5 | 0 | 0 | 111.1 | A103 W110 | A103-E106 PolarHBondContact O-N 2.96Å; E106-W110 WeakPolarHBondContact O-CB 3.31Å; E106-W110 PolarHBondContact O-N 3.35Å; E106-W110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 51.3 | Low | 51.4 | Low | 32 Ų | 32 | 83.5 Ų | 83.5 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 171.7 | -176.5 | 59.4 | 0 | 0 | 0 | 111.4 | L92 L93 D104 H105 W110 I111 | L92-L107 HydrophobicContact CD2-CD1 4.47Å; L93-L107 HydrophobicContact CD2-CD2 4.32Å; D104-L107 PolarHBondContact O-N 3.2Å; H105-L107 VanDerWaalsContact C-N 3.33Å; L107-W110 HydrophobicContact CD1-CE3 4.22Å; L107-W110 PolarHBondContact O-N 3.01Å; L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 2.92Å |
| 108 | G | 53.6 | Low | 52 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | D104 H105 W110 I111 S112 N154 | D104-G108 PolarHBondContact O-N 2.89Å; H105-G108 PolarHBondContact O-N 3.38Å; G108-W110 VanDerWaalsContact C-N 3.27Å; G108-W110 PolarHBondContact O-N 2.97Å; G108-I111 PolarHBondContact O-N 3.39Å; G108-S112 WeakPolarHBondContact O-CB 3.36Å; G108-S112 PolarHBondContact O-N 3.18Å; G108-S112 PolarHBondContact O-OG 2.9Å; G108-N154 VanDerWaalsContact CA-CB 3.44Å; G108-N154 WeakPolarHBondContact CA-ND2 3.43Å |
| 109 | D | 59.7 | Low | 52.6 | Low | 123 Ų | 123 | 73.4 Ų | 73.4 | 66% | 0.658 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 172.4 | -78.7 | -16.3 | 0 | 0 | 0 | 110.5 | H105 S112 E113 | H105-D109 PolarHBondContact O-N 3.11Å; D109-S112 PolarHBondContact O-N 2.72Å; D109-E113 WeakPolarHBondContact O-CB 3.29Å; D109-E113 PolarHBondContact O-N 2.95Å |
| 110 | W | 60.5 | Low | 53.2 | Low | 41 Ų | 41 | 71 Ų | 71 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 176.2 | -177.5 | 78.6 | 0 | 0 | 0 | 113.5 | F8 L92 E106 L107 G108 S112 E113 L114 | F8-W110 AromaticContact CE1-CD1 3.79Å; F8-W110 HydrophobicContact CZ-CB 4.28Å; F8-W110 AromaticContact CZ-CD1 3.92Å; F8-W110 HydrophobicContact CZ-CG 4.31Å; L92-W110 HydrophobicContact CD1-CH2 4.03Å; L92-W110 HydrophobicContact CD1-CZ2 4.36Å; L92-W110 HydrophobicContact CD2-CD2 4.29Å; L92-W110 HydrophobicContact CD2-CE3 3.97Å; L92-W110 HydrophobicContact CD2-CH2 3.67Å; L92-W110 HydrophobicContact CD2-CZ2 3.99Å; L92-W110 HydrophobicContact CD2-CZ3 3.66Å; L92-W110 HydrophobicContact CG-CH2 4.47Å; E106-W110 WeakPolarHBondContact O-CB 3.31Å; E106-W110 PolarHBondContact O-N 3.35Å; E106-W110 VanDerWaalsContact O-N 3.12Å; L107-W110 HydrophobicContact CD1-CE3 4.22Å; L107-W110 PolarHBondContact O-N 3.01Å; G108-W110 VanDerWaalsContact C-N 3.27Å; G108-W110 PolarHBondContact O-N 2.97Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 2.73Å; W110-E113 PolarHBondContact O-N 3.3Å; W110-L114 HydrophobicContact CH2-CD1 4.26Å; W110-L114 HydrophobicContact CH2-CD2 4.43Å; W110-L114 HydrophobicContact CZ2-CD1 3.79Å; W110-L114 WeakPolarHBondContact O-CB 3.46Å; W110-L114 PolarHBondContact O-N 2.88Å |
| 111 | I | 55.8 | Low | 53.7 | Low | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 174 | -71.5 | 162.8 | 0 | 0 | 0 | 109.9 | L107 G108 L114 I115 V151 | L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 2.92Å; G108-I111 PolarHBondContact O-N 3.39Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CB 3.15Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.88Å; I111-V151 HydrophobicContact CD1-CG2 4.11Å; I111-V151 HydrophobicContact CG2-CG2 4.25Å |
| 112 | S | 58 | Low | 54.4 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | G108 D109 W110 S116 | G108-S112 WeakPolarHBondContact O-CB 3.36Å; G108-S112 PolarHBondContact O-N 3.18Å; G108-S112 PolarHBondContact O-OG 2.9Å; D109-S112 PolarHBondContact O-N 2.72Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 2.73Å; S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.13Å; S112-S116 PolarHBondContact O-N 3.42Å; S112-S116 PolarHBondContact O-OG 2.95Å |
| 113 | E | 61.5 | Low | 55 | Low | 82 Ų | 82 | 62.3 Ų | 62.3 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.2 | -166.2 | -171.2 | -154 | 0 | 0 | 111.4 | D109 W110 S116 R117 | D109-E113 WeakPolarHBondContact O-CB 3.29Å; D109-E113 PolarHBondContact O-N 2.95Å; W110-E113 PolarHBondContact O-N 3.3Å; E113-S116 PolarHBondContact O-N 3.2Å; E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 IonicContact OE1-CZ 4Å; E113-R117 IonicContact OE1-NH1 2.85Å; E113-R117 PolarHBondContact OE1-NH1 2.85Å; E113-R117 VanDerWaalsContact OE1-NH1 3.12Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.42Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.18Å; E113-R117 IonicContact OE2-NH2 3.13Å |
| 114 | L | 59.3 | Low | 55.5 | Low | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.9 | -43.4 | 179.8 | -159.1 | 102.3 | 0 | 0 | 0 | 111.9 | L85 L88 W110 I111 S116 R117 L118 | L85-L114 HydrophobicContact CD1-CD2 3.5Å; L88-L114 HydrophobicContact CD1-CD2 4.47Å; W110-L114 HydrophobicContact CH2-CD1 4.26Å; W110-L114 HydrophobicContact CH2-CD2 4.43Å; W110-L114 HydrophobicContact CZ2-CD1 3.79Å; W110-L114 WeakPolarHBondContact O-CB 3.46Å; W110-L114 PolarHBondContact O-N 2.88Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.46Å; L114-R117 PolarHBondContact O-N 3.38Å; L114-L118 HydrophobicContact CD2-CD1 3.8Å; L114-L118 HydrophobicContact CG-CD1 4.14Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.05Å |
| 115 | I | 59.7 | Low | 55.7 | Low | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55 | -48 | 170.6 | -79.5 | 169 | 0 | 0 | 0 | 110.4 | L85 I111 R117 L118 L120 W128 L155 | L85-I115 HydrophobicContact CD2-CD1 4.26Å; L85-I115 HydrophobicContact CD2-CG1 4.17Å; I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CB 3.15Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.88Å; I115-R117 PolarHBondContact O-N 3.49Å; I115-L118 PolarHBondContact O-N 2.88Å; I115-L120 HydrophobicContact CG1-CD1 4.4Å; I115-L120 HydrophobicContact CG2-CB 4.43Å; I115-L120 PolarHBondContact O-N 3.04Å; I115-W128 HydrophobicContact CB-CZ2 4.24Å; I115-W128 HydrophobicContact CD1-CH2 3.88Å; I115-W128 HydrophobicContact CD1-CZ2 3.7Å; I115-W128 HydrophobicContact CG1-CH2 4.07Å; I115-W128 HydrophobicContact CG1-CZ2 3.77Å; I115-W128 HydrophobicContact CG2-CZ2 3.49Å; I115-W128 VanDerWaalsContact CG2-CZ2 3.49Å; I115-L155 HydrophobicContact CD1-CD2 4.26Å |
| 116 | S | 60.3 | Low | 56 | Low | 55 Ų | 55 | 67 Ų | 67 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 179 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | S112 E113 L114 S119 | S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.13Å; S112-S116 PolarHBondContact O-N 3.42Å; S112-S116 PolarHBondContact O-OG 2.95Å; E113-S116 PolarHBondContact O-N 3.2Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.46Å; S116-S119 PolarHBondContact O-N 3.09Å |
| 117 | R | 55.1 | Low | 56.2 | Low | 136 Ų | 136 | 65.7 Ų | 65.7 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | 177.2 | -86 | -170.8 | 174.2 | 117.7 | 19.2 | 114.1 | E113 L114 I115 S119 | E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 IonicContact OE1-CZ 4Å; E113-R117 IonicContact OE1-NH1 2.85Å; E113-R117 PolarHBondContact OE1-NH1 2.85Å; E113-R117 VanDerWaalsContact OE1-NH1 3.12Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.42Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.18Å; E113-R117 IonicContact OE2-NH2 3.13Å; L114-R117 PolarHBondContact O-N 3.38Å; I115-R117 PolarHBondContact O-N 3.49Å; R117-S119 PolarHBondContact O-N 2.74Å |
| 118 | L | 54.8 | Low | 56.5 | Low | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.8 | 178.7 | -71.8 | 172.1 | 0 | 0 | 0 | 112.6 | L114 I115 L120 | L114-L118 HydrophobicContact CD2-CD1 3.8Å; L114-L118 HydrophobicContact CG-CD1 4.14Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.05Å; I115-L118 PolarHBondContact O-N 2.88Å; L118-L120 HydrophobicContact CB-CB 4.24Å; L118-L120 HydrophobicContact CB-CD1 4.26Å; L118-L120 HydrophobicContact CB-CG 4.31Å; L118-L120 HydrophobicContact CD1-CD1 4.05Å; L118-L120 PolarHBondContact O-N 2.95Å |
| 119 | S | 55 | Low | 56.8 | Low | 106 Ų | 106 | 69.3 Ų | 69.3 | 74% | 0.741 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.5 | -171.9 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | S116 R117 C121 | S116-S119 PolarHBondContact O-N 3.09Å; R117-S119 PolarHBondContact O-N 2.74Å; S119-C121 PolarHBondContact O-N 2.87Å |
| 120 | L | 51.9 | Low | 57.1 | Low | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -69 | -38.2 | -168.2 | -129.2 | 170.9 | 0 | 0 | 0 | 111.6 | Q81 I115 L118 W128 | Q81-L120 HydrophobicContact CB-CD1 3.98Å; Q81-L120 HydrophobicContact CB-CD2 3.75Å; Q81-L120 HydrophobicContact CB-CG 3.71Å; Q81-L120 HydrophobicContact CG-CG 4.39Å; I115-L120 HydrophobicContact CG1-CD1 4.4Å; I115-L120 HydrophobicContact CG2-CB 4.43Å; I115-L120 PolarHBondContact O-N 3.04Å; L118-L120 HydrophobicContact CB-CB 4.24Å; L118-L120 HydrophobicContact CB-CD1 4.26Å; L118-L120 HydrophobicContact CB-CG 4.31Å; L118-L120 HydrophobicContact CD1-CD1 4.05Å; L118-L120 PolarHBondContact O-N 2.95Å; L120-W128 HydrophobicContact CB-CZ2 4.23Å; L120-W128 HydrophobicContact CD1-CH2 4.34Å; L120-W128 HydrophobicContact CD2-CH2 4.21Å; L120-W128 HydrophobicContact CD2-CZ2 4.35Å |
| 121 | C | 51.3 | Low | 57.2 | Low | 23 Ų | 23 | 68.8 Ų | 68.8 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -169.2 | 154.9 | 168.5 | -94.1 | 0 | 0 | 0 | 0 | 107.8 | R78 S119 W128 | R78-C121 PolarHBondContact NH1-SG 2.97Å; S119-C121 PolarHBondContact O-N 2.87Å; C121-W128 HydrophobicContact CB-CZ2 4.33Å; C121-W128 VanDerWaalsContact CB-NE1 3.28Å |
| 122 | D | 53.6 | Low | 57.6 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 35% | 0.354 | S | S | * | . | trans | -61.4 | 132.8 | 163.8 | -96.6 | -42.7 | 0 | 0 | 0 | 109.7 | T124 | D122-T124 PolarHBondContact O-N 2.86Š| ||
| 123 | P | 51.5 | Low | 58 | Low | 71 Ų | 71 | 73 Ų | 73 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 5.3 | -177 | 30 | -36.8 | 0 | 0 | 0 | 114 | ||
| 124 | T | 54 | Low | 57.9 | Low | 109 Ų | 109 | 75 Ų | 75 | 67% | 0.669 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -10.9 | -168.2 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | D122 | D122-T124 PolarHBondContact O-N 2.86Š|
| 125 | W | 54.6 | Low | 58.2 | Low | 191 Ų | 191 | 78.6 Ų | 78.6 | 72% | 0.723 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -133.8 | 164.5 | -164.1 | -101 | 5.3 | 0 | 0 | 0 | 116.2 | E127 | W125-E127 PolarHBondContact O-N 3.03Š|
| 126 | N | 58.5 | Low | 58.5 | Low | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -0 | -165.4 | -63.9 | -61 | 0 | 0 | 0 | 115.4 | W128 K129 N130 | N126-W128 PolarHBondContact O-N 3.33Å; N126-K129 WeakPolarHBondContact O-CB 3.49Å; N126-K129 PolarHBondContact O-N 3.27Å; N126-N130 PolarHBondContact O-N 3.09Å |
| 127 | E | 59.6 | Low | 59 | Low | 90 Ų | 90 | 76.1 Ų | 76.1 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 178 | -67 | -173.7 | -148.4 | 0 | 0 | 111.6 | R78 W125 K129 N130 F131 | R78-E127 IonicContact CZ-OE2 2.86Å; R78-E127 IonicContact NH1-OE2 3.95Å; R78-E127 PolarHBondContact NH1-OE2 2.92Å; R78-E127 IonicContact NH2-OE2 3.71Å; R78-E127 PolarHBondContact NH2-OE2 3.1Å; W125-E127 PolarHBondContact O-N 3.03Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.1Å; E127-N130 CarbonylContact O-C 3.55Å; E127-N130 PolarHBondContact O-N 3.02Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 2.79Å |
| 128 | W | 58.7 | Low | 59.8 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 4% | 0.038 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 173.7 | -83 | 110.6 | 0 | 0 | 0 | 113 | F82 I115 L120 C121 N126 N130 F131 L132 L155 | F82-W128 HydrophobicContact CD2-CH2 4.32Å; F82-W128 HydrophobicContact CD2-CZ3 4.1Å; F82-W128 HydrophobicContact CE2-CZ3 4.21Å; I115-W128 HydrophobicContact CB-CZ2 4.24Å; I115-W128 HydrophobicContact CD1-CH2 3.88Å; I115-W128 HydrophobicContact CD1-CZ2 3.7Å; I115-W128 HydrophobicContact CG1-CH2 4.07Å; I115-W128 HydrophobicContact CG1-CZ2 3.77Å; I115-W128 HydrophobicContact CG2-CZ2 3.49Å; I115-W128 VanDerWaalsContact CG2-CZ2 3.49Å; L120-W128 HydrophobicContact CB-CZ2 4.23Å; L120-W128 HydrophobicContact CD1-CH2 4.34Å; L120-W128 HydrophobicContact CD2-CH2 4.21Å; L120-W128 HydrophobicContact CD2-CZ2 4.35Å; C121-W128 HydrophobicContact CB-CZ2 4.33Å; C121-W128 VanDerWaalsContact CB-NE1 3.28Å; N126-W128 PolarHBondContact O-N 3.33Å; W128-N130 PolarHBondContact O-N 3.17Å; W128-F131 HydrophobicContact CE3-CD1 4.18Å; W128-F131 AromaticContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CE1 4.2Å; W128-F131 PolarHBondContact O-N 3.05Å; W128-L132 HydrophobicContact CE3-CD1 3.92Å; W128-L132 HydrophobicContact CE3-CD2 4.26Å; W128-L132 HydrophobicContact CE3-CG 3.91Å; W128-L132 HydrophobicContact CZ3-CD2 4.24Å; W128-L132 HydrophobicContact CZ3-CG 4.39Å; W128-L132 WeakPolarHBondContact O-CB 3.49Å; W128-L132 WeakPolarHBondContact O-CG 3.45Å; W128-L132 PolarHBondContact O-N 2.84Å; W128-L155 HydrophobicContact CB-CD1 4.43Å; W128-L155 HydrophobicContact CD2-CD1 4.13Å; W128-L155 HydrophobicContact CE3-CD1 4.11Å; W128-L155 HydrophobicContact CG-CD1 4.27Å |
| 129 | K | 60.2 | Low | 60.4 | Low | 100 Ų | 100 | 75.9 Ų | 75.9 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -24.1 | 175.2 | -73.6 | 178.8 | -179.5 | 171 | 0 | 113.3 | N126 E127 K133 L157 | N126-K129 WeakPolarHBondContact O-CB 3.49Å; N126-K129 PolarHBondContact O-N 3.27Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.1Å; K129-K133 WeakPolarHBondContact O-CB 3.15Å; K129-K133 WeakPolarHBondContact O-CD 3.48Å; K129-K133 WeakPolarHBondContact O-CG 3.31Å; K129-L157 HydrophobicContact CD-CD2 4.03Å; K129-L157 HydrophobicContact CG-CD1 4.13Å; K129-L157 HydrophobicContact CG-CD2 3.51Å; K129-L157 HydrophobicContact CG-CG 4.45Å |
| 130 | N | 64.9 | Low | 61.1 | Low | 109 Ų | 109 | 72.1 Ų | 72.1 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -94.5 | -32.8 | 179.1 | -69.7 | -17.1 | 0 | 0 | 0 | 112 | N126 E127 W128 | N126-N130 PolarHBondContact O-N 3.09Å; E127-N130 CarbonylContact O-C 3.55Å; E127-N130 PolarHBondContact O-N 3.02Å; W128-N130 PolarHBondContact O-N 3.17Å |
| 131 | F | 62.3 | Low | 62.2 | Low | 45 Ų | 45 | 75 Ų | 75 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74 | -44.4 | 177.3 | 179.1 | -104.6 | 0 | 0 | 0 | 112.5 | R78 F82 E127 W128 K133 V136 | R78-F131 HydrophobicContact CB-CE2 4.3Å; F82-F131 HydrophobicContact CB-CE1 3.88Å; F82-F131 HydrophobicContact CB-CZ 3.87Å; F82-F131 HydrophobicContact CD1-CE1 4.31Å; F82-F131 AromaticContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CE2-CE1 4.43Å; F82-F131 AromaticContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CZ 4.1Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 2.79Å; W128-F131 HydrophobicContact CE3-CD1 4.18Å; W128-F131 AromaticContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CE1 4.2Å; W128-F131 PolarHBondContact O-N 3.05Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 3.44Å; F131-V136 HydrophobicContact CD1-CG2 4.28Å; F131-V136 HydrophobicContact CE1-CG2 3.97Å; F131-V136 HydrophobicContact CE2-CG2 4.22Å; F131-V136 HydrophobicContact CZ-CG2 3.93Å; F131-V136 WeakPolarHBondContact O-CG2 3.33Å |
| 132 | L | 64.7 | Low | 63.2 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.394 | C | S | . | . | I | π-helix | trans | -72.1 | -24 | 178.1 | -64.9 | 170.4 | 0 | 0 | 0 | 112.8 | F82 W128 L134 V136 V137 V151 Y152 L155 L157 | F82-L132 HydrophobicContact CE2-CD2 3.82Å; F82-L132 HydrophobicContact CZ-CD2 3.89Å; W128-L132 HydrophobicContact CE3-CD1 3.92Å; W128-L132 HydrophobicContact CE3-CD2 4.26Å; W128-L132 HydrophobicContact CE3-CG 3.91Å; W128-L132 HydrophobicContact CZ3-CD2 4.24Å; W128-L132 HydrophobicContact CZ3-CG 4.39Å; W128-L132 WeakPolarHBondContact O-CB 3.49Å; W128-L132 WeakPolarHBondContact O-CG 3.45Å; W128-L132 PolarHBondContact O-N 2.84Å; L132-L134 PolarHBondContact O-N 3.44Å; L132-V136 HydrophobicContact CD2-CG1 4.09Å; L132-V137 VanDerWaalsContact O-CG2 3.3Å; L132-V137 WeakPolarHBondContact O-CG2 3.45Å; L132-V151 HydrophobicContact CD1-CG1 4.24Å; L132-Y152 HydrophobicContact CB-CE2 3.75Å; L132-Y152 WeakPolarHBondContact CB-OH 3.22Å; L132-Y152 HydrophobicContact CD1-CD2 4.35Å; L132-Y152 HydrophobicContact CD1-CE2 4.1Å; L132-Y152 HydrophobicContact CG-CE2 4.38Å; L132-Y152 PolarHBondContact O-OH 3.13Å; L132-L155 HydrophobicContact CD1-CD1 3.77Å; L132-L157 HydrophobicContact CD1-CD1 3.98Å |
| 133 | K | 67 | Low | 63.8 | Low | 120 Ų | 120 | 77.5 Ų | 77.5 | 52% | 0.522 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -62 | 124.2 | -178 | -105.5 | 178.8 | -168.1 | 173.9 | 0 | 112.3 | K129 F131 E135 | K129-K133 WeakPolarHBondContact O-CB 3.15Å; K129-K133 WeakPolarHBondContact O-CD 3.48Å; K129-K133 WeakPolarHBondContact O-CG 3.31Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 3.44Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 2.75Å |
| 134 | L | 59.5 | Low | 64.6 | Low | 122 Ų | 122 | 75.6 Ų | 75.6 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | I | π-helix | trans | 52.7 | -71 | 176 | -72.2 | 118.6 | 0 | 0 | 0 | 114.6 | L132 V136 V137 D138 | L132-L134 PolarHBondContact O-N 3.44Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 2.82Å; L134-V136 VanDerWaalsContact O-N 3.16Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 PolarHBondContact O-N 2.76Å; L134-V137 VanDerWaalsContact O-N 3.14Å; L134-D138 VanDerWaalsContact O-CB 3.28Å; L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.36Å |
| 135 | E | 65 | Low | 65.6 | Low | 94 Ų | 94 | 70.8 Ų | 70.8 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -60.7 | -36.1 | -167.7 | -159.2 | -168.4 | -129.4 | 0 | 0 | 113.9 | R75 K133 R139 | R75-E135 IonicContact CZ-OE1 2.74Å; R75-E135 IonicContact CZ-OE2 3.89Å; R75-E135 IonicContact NH2-OE1 3.99Å; R75-E135 PolarHBondContact NH2-OE1 3.2Å; R75-E135 IonicContact NH2-OE2 3.75Å; R75-E135 PolarHBondContact NH2-OE2 2.9Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 2.75Å; E135-R139 WeakPolarHBondContact O-CB 3.18Å; E135-R139 VanDerWaalsContact O-CG 3.23Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-NE 3.23Å; E135-R139 IonicContact OE2-NH2 3.87Å; E135-R139 PolarHBondContact OE2-NH2 3.21Å; E135-R139 VanDerWaalsContact OE2-NH2 3.12Å |
| 136 | V | 66 | Low | 66.5 | Low | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -79.3 | -45.6 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | F82 F131 L132 L134 R139 Y140 L148 | F82-V136 HydrophobicContact CD1-CG1 3.98Å; F82-V136 HydrophobicContact CE1-CG1 3.26Å; F82-V136 HydrophobicContact CZ-CG1 3.63Å; F131-V136 HydrophobicContact CD1-CG2 4.28Å; F131-V136 HydrophobicContact CE1-CG2 3.97Å; F131-V136 HydrophobicContact CE2-CG2 4.22Å; F131-V136 HydrophobicContact CZ-CG2 3.93Å; F131-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 HydrophobicContact CD2-CG1 4.09Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 2.82Å; L134-V136 VanDerWaalsContact O-N 3.16Å; V136-R139 PolarHBondContact O-N 3.27Å; V136-Y140 HydrophobicContact CG1-CD2 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.42Å; V136-L148 HydrophobicContact CG1-CD2 4.33Å |
| 137 | V | 70.4 | Confident | 67 | Low | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 179.3 | 162.9 | 0 | 0 | 0 | 0 | 111.9 | L132 L134 R139 Y140 K141 L148 Y152 P160 L163 | L132-V137 VanDerWaalsContact O-CG2 3.3Å; L132-V137 WeakPolarHBondContact O-CG2 3.45Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 PolarHBondContact O-N 2.76Å; L134-V137 VanDerWaalsContact O-N 3.14Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.19Å; V137-Y140 PolarHBondContact O-N 2.91Å; V137-K141 HydrophobicContact CG1-CB 4.42Å; V137-K141 HydrophobicContact CG1-CD 4.45Å; V137-K141 WeakPolarHBondContact O-CA 3.35Å; V137-K141 WeakPolarHBondContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CG 3.35Å; V137-K141 PolarHBondContact O-N 2.97Å; V137-L148 HydrophobicContact CG2-CD1 4.46Å; V137-Y152 HydrophobicContact CG2-CE2 3.69Å; V137-P160 HydrophobicContact CG2-CG 4.43Å; V137-L163 HydrophobicContact CG1-CD2 3.96Å; V137-L163 HydrophobicContact CG1-CG 4.37Å |
| 138 | D | 72.6 | Confident | 67.7 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 178.5 | -72.8 | -44.8 | 0 | 0 | 0 | 112.9 | L134 K141 | L134-D138 VanDerWaalsContact O-CB 3.28Å; L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.36Å; D138-K141 IonicContact OD1-NZ 2.66Å; D138-K141 PolarHBondContact OD1-NZ 2.82Å |
| 139 | R | 67.7 | Low | 68.6 | Low | 98 Ų | 98 | 59.1 Ų | 59.1 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.5 | -30 | 176 | -75.3 | -173.4 | -73.4 | 141.7 | -10.9 | 113.7 | E79 E135 V136 V137 | E79-R139 IonicContact OE1-CZ 3.87Å; E79-R139 IonicContact OE1-NH1 3.32Å; E79-R139 PolarHBondContact OE1-NH1 2.86Å; E79-R139 IonicContact OE1-NH2 3.12Å; E79-R139 IonicContact OE2-CZ 3.77Å; E79-R139 VanDerWaalsContact OE2-CZ 3.32Å; E79-R139 IonicContact OE2-NH1 2.66Å; E79-R139 PolarHBondContact OE2-NH1 2.83Å; E79-R139 IonicContact OE2-NH2 2.7Å; E79-R139 PolarHBondContact OE2-NH2 2.82Å; E135-R139 WeakPolarHBondContact O-CB 3.18Å; E135-R139 VanDerWaalsContact O-CG 3.23Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-NE 3.23Å; E135-R139 IonicContact OE2-NH2 3.87Å; E135-R139 PolarHBondContact OE2-NH2 3.21Å; E135-R139 VanDerWaalsContact OE2-NH2 3.12Å; V136-R139 PolarHBondContact O-N 3.27Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.19Å |
| 140 | Y | 69.2 | Low | 69 | Low | 27 Ų | 27 | 55.2 Ų | 55.2 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -120.2 | -7.8 | -170.2 | -64.6 | -67.8 | 0 | 0 | 0 | 115.9 | E79 F82 Q83 L86 V136 V137 T142 A143 F144 | E79-Y140 PolarHBondContact OE1-OH 3.42Å; F82-Y140 HydrophobicContact CE1-CD2 4.32Å; Q83-Y140 WeakPolarHBondContact CG-OH 3.25Å; Q83-Y140 PolarHBondContact NE2-OH 3.43Å; L86-Y140 HydrophobicContact CD1-CD1 3.56Å; L86-Y140 HydrophobicContact CD1-CD2 3.92Å; L86-Y140 HydrophobicContact CD1-CE1 3.96Å; L86-Y140 HydrophobicContact CD1-CE2 4.29Å; L86-Y140 HydrophobicContact CD1-CG 3.55Å; V136-Y140 HydrophobicContact CG1-CD2 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.42Å; V137-Y140 PolarHBondContact O-N 2.91Å; Y140-T142 PolarHBondContact O-N 3.43Å; Y140-A143 PolarHBondContact O-N 2.97Å; Y140-F144 AromaticContact CD1-CD2 3.71Å; Y140-F144 HydrophobicContact CD1-CD2 3.71Å; Y140-F144 AromaticContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CE1-CE2 4.38Å; Y140-F144 HydrophobicContact CG-CD2 4.29Å; Y140-F144 WeakPolarHBondContact O-CA 3.35Å; Y140-F144 WeakPolarHBondContact O-CB 3.36Å; Y140-F144 PolarHBondContact O-N 3.3Å |
| 141 | K | 75.8 | Confident | 69.3 | Low | 68 Ų | 68 | 50.1 Ų | 50.1 | 30% | 0.296 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.1 | -34.1 | 178.8 | 61.1 | -168 | 178.1 | -172.7 | 0 | 114.3 | V137 D138 G145 L163 | V137-K141 HydrophobicContact CG1-CB 4.42Å; V137-K141 HydrophobicContact CG1-CD 4.45Å; V137-K141 WeakPolarHBondContact O-CA 3.35Å; V137-K141 WeakPolarHBondContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CG 3.35Å; V137-K141 PolarHBondContact O-N 2.97Å; D138-K141 IonicContact OD1-NZ 2.66Å; D138-K141 PolarHBondContact OD1-NZ 2.82Å; K141-G145 WeakPolarHBondContact O-CA 3.35Å; K141-G145 PolarHBondContact O-N 2.87Å; K141-L163 HydrophobicContact CB-CD2 3.94Å |
| 142 | T | 72.2 | Confident | 70 | Confident | 128 Ų | 128 | 48.5 Ų | 48.5 | 79% | 0.785 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.3 | -37.7 | -178.3 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | Y140 | Y140-T142 PolarHBondContact O-N 3.43Å |
| 143 | A | 65 | Low | 70.5 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 60% | 0.595 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -103.4 | -18.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y140 | Y140-A143 PolarHBondContact O-N 2.97Å |
| 144 | F | 68.4 | Low | 70.5 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -136.3 | 20.5 | -173.4 | -57.7 | -90.6 | 0 | 0 | 0 | 112.7 | L86 T90 Y140 R146 T147 L148 | L86-F144 HydrophobicContact CB-CD1 3.95Å; L86-F144 HydrophobicContact CB-CE1 3.7Å; L86-F144 HydrophobicContact CB-CG 4.48Å; L86-F144 HydrophobicContact CB-CZ 4.06Å; L86-F144 HydrophobicContact CD1-CD1 4.38Å; L86-F144 HydrophobicContact CD1-CD2 3.96Å; L86-F144 HydrophobicContact CD1-CE2 4.13Å; L86-F144 HydrophobicContact CD1-CG 4.1Å; L86-F144 HydrophobicContact CD1-CZ 4.42Å; L86-F144 HydrophobicContact CD2-CB 4Å; L86-F144 HydrophobicContact CD2-CD1 3.88Å; L86-F144 HydrophobicContact CD2-CG 3.94Å; L86-F144 HydrophobicContact CG-CD1 4.3Å; L86-F144 HydrophobicContact CG-CE1 4.48Å; L86-F144 HydrophobicContact CG-CG 4.42Å; L86-F144 WeakPolarHBondContact O-CE1 3.4Å; T90-F144 HydrophobicContact CG2-CD1 3.57Å; T90-F144 HydrophobicContact CG2-CE1 3.4Å; Y140-F144 AromaticContact CD1-CD2 3.71Å; Y140-F144 HydrophobicContact CD1-CD2 3.71Å; Y140-F144 AromaticContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CE1-CE2 4.38Å; Y140-F144 HydrophobicContact CG-CD2 4.29Å; Y140-F144 WeakPolarHBondContact O-CA 3.35Å; Y140-F144 WeakPolarHBondContact O-CB 3.36Å; Y140-F144 PolarHBondContact O-N 3.3Å; F144-R146 PolarHBondContact O-N 3.3Å; F144-T147 CarbonylContact O-C 3.57Å; F144-T147 WeakPolarHBondContact O-CA 3.44Å; F144-T147 VanDerWaalsContact O-CB 3.3Å; F144-T147 WeakPolarHBondContact O-CB 3.49Å; F144-T147 PolarHBondContact O-N 3.46Å; F144-L148 HydrophobicContact CB-CG 4.5Å; F144-L148 PolarHBondContact O-N 3.37Å |
| 145 | G | 76.3 | Confident | 70.9 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -50.5 | -51 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K141 L148 F149 | K141-G145 WeakPolarHBondContact O-CA 3.35Å; K141-G145 PolarHBondContact O-N 2.87Å; G145-L148 PolarHBondContact O-N 3.12Å; G145-F149 PolarHBondContact O-N 2.91Å |
| 146 | R | 73 | Confident | 71.3 | Confident | 116 Ų | 116 | 44.3 Ų | 44.3 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.5 | -58 | 178.8 | -166.1 | 173.7 | -0.6 | 111.8 | F144 L148 F149 C150 P164 L169 E173 | F144-R146 PolarHBondContact O-N 3.3Å; R146-L148 PolarHBondContact O-N 2.96Å; R146-F149 WeakPolarHBondContact O-CB 3.47Å; R146-F149 PolarHBondContact O-N 3.47Å; R146-C150 PolarHBondContact O-N 2.86Å; R146-C150 PolarHBondContact O-SG 3.45Å; R146-P164 HydrophobicContact CG-CG 4.22Å; R146-L169 HydrophobicContact CG-CD1 4.11Å; R146-L169 VanDerWaalsContact NE-CD1 3.26Å; R146-E173 IonicContact NH2-OE1 3.71Å; R146-E173 IonicContact NH2-OE2 3.57Å; R146-E173 PolarHBondContact NH2-OE2 3.38Å |
| 147 | T | 69.2 | Low | 71.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.6 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | L86 H89 L93 F144 F149 C150 V151 | L86-T147 HydrophobicContact CD2-CG2 3.76Å; H89-T147 HydrophobicContact CB-CG2 4.04Å; H89-T147 PolarHBondContact CE1-OG1 2.95Å; H89-T147 WeakPolarHBondContact ND1-CG2 3.48Å; H89-T147 PolarHBondContact ND1-OG1 2.93Å; L93-T147 WeakPolarHBondContact CD1-OG1 3.32Å; F144-T147 CarbonylContact O-C 3.57Å; F144-T147 WeakPolarHBondContact O-CA 3.44Å; F144-T147 VanDerWaalsContact O-CB 3.3Å; F144-T147 WeakPolarHBondContact O-CB 3.49Å; F144-T147 PolarHBondContact O-N 3.46Å; T147-F149 VanDerWaalsContact C-N 3.35Å; T147-C150 PolarHBondContact O-N 3.26Å; T147-V151 HydrophobicContact CG2-CG2 4.5Å; T147-V151 VanDerWaalsContact O-CG2 3.25Å; T147-V151 WeakPolarHBondContact O-CG2 3.23Å; T147-V151 PolarHBondContact O-N 3.44Å |
| 148 | L | 73.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.1 | -71 | 167.4 | 0 | 0 | 0 | 111.3 | F82 V136 V137 F144 G145 R146 V151 Y152 L163 | F82-L148 HydrophobicContact CE1-CD2 4.46Å; F82-L148 HydrophobicContact CZ-CD2 3.89Å; V136-L148 HydrophobicContact CG1-CD2 4.33Å; V137-L148 HydrophobicContact CG2-CD1 4.46Å; F144-L148 HydrophobicContact CB-CG 4.5Å; F144-L148 PolarHBondContact O-N 3.37Å; G145-L148 PolarHBondContact O-N 3.12Å; R146-L148 PolarHBondContact O-N 2.96Å; L148-V151 PolarHBondContact O-N 3.15Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.34Å; L148-L163 HydrophobicContact CB-CD1 3.82Å; L148-L163 HydrophobicContact CB-CD2 3.81Å; L148-L163 HydrophobicContact CB-CG 4.5Å; L148-L163 HydrophobicContact CD1-CD2 3.92Å |
| 149 | F | 77.5 | Confident | 72.4 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 176.2 | -174.3 | -93.9 | 0 | 0 | 0 | 111.2 | G145 R146 T147 V151 Y152 M153 P159 L163 N165 D166 | G145-F149 PolarHBondContact O-N 2.91Å; R146-F149 WeakPolarHBondContact O-CB 3.47Å; R146-F149 PolarHBondContact O-N 3.47Å; T147-F149 VanDerWaalsContact C-N 3.35Å; F149-V151 PolarHBondContact O-N 3.29Å; F149-Y152 PolarHBondContact O-N 3.02Å; F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.89Å; F149-M153 HydrophobicContact CZ-CG 4.16Å; F149-M153 HydrophobicContact CZ-SD 4.42Å; F149-M153 WeakPolarHBondContact O-CG 3.37Å; F149-M153 PolarHBondContact O-N 3.14Å; F149-P159 HydrophobicContact CD2-CB 3.62Å; F149-P159 HydrophobicContact CD2-CG 3.81Å; F149-P159 HydrophobicContact CE2-CB 3.78Å; F149-P159 HydrophobicContact CE2-CG 3.65Å; F149-P159 HydrophobicContact CZ-CG 4.31Å; F149-L163 HydrophobicContact CB-CB 4.45Å; F149-L163 HydrophobicContact CD2-CB 4.37Å; F149-N165 HydrophobicContact CE2-CB 4.48Å; F149-N165 WeakPolarHBondContact CE2-OD1 3.31Å; F149-D166 WeakPolarHBondContact CD1-OD2 3.29Å; F149-D166 WeakPolarHBondContact CE1-OD2 3.42Å |
| 150 | C | 69.7 | Low | 72.8 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 172.7 | -59.3 | 0 | 0 | 0 | 0 | 112 | R146 T147 Y152 M153 N154 | R146-C150 PolarHBondContact O-N 2.86Å; R146-C150 PolarHBondContact O-SG 3.45Å; T147-C150 PolarHBondContact O-N 3.26Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; C150-Y152 PolarHBondContact O-N 3.41Å; C150-M153 PolarHBondContact O-N 3.29Å; C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 2.97Å; C150-N154 PolarHBondContact O-ND2 2.9Å |
| 151 | V | 70.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 178.4 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | I111 L132 T147 L148 F149 L155 | I111-V151 HydrophobicContact CD1-CG2 4.11Å; I111-V151 HydrophobicContact CG2-CG2 4.25Å; L132-V151 HydrophobicContact CD1-CG1 4.24Å; T147-V151 HydrophobicContact CG2-CG2 4.5Å; T147-V151 VanDerWaalsContact O-CG2 3.25Å; T147-V151 WeakPolarHBondContact O-CG2 3.23Å; T147-V151 PolarHBondContact O-N 3.44Å; L148-V151 PolarHBondContact O-N 3.15Å; F149-V151 PolarHBondContact O-N 3.29Å; V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 HydrophobicContact CG1-CG 4.47Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 2.95Å |
| 152 | Y | 76.7 | Confident | 73.3 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -52.4 | 176.4 | -95.9 | -95.3 | 0 | 0 | 0 | 111.6 | L132 V137 L148 F149 C150 N154 L155 G156 L157 E158 P159 P160 L163 | L132-Y152 HydrophobicContact CB-CE2 3.75Å; L132-Y152 WeakPolarHBondContact CB-OH 3.22Å; L132-Y152 HydrophobicContact CD1-CD2 4.35Å; L132-Y152 HydrophobicContact CD1-CE2 4.1Å; L132-Y152 HydrophobicContact CG-CE2 4.38Å; L132-Y152 PolarHBondContact O-OH 3.13Å; V137-Y152 HydrophobicContact CG2-CE2 3.69Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.34Å; F149-Y152 PolarHBondContact O-N 3.02Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; C150-Y152 PolarHBondContact O-N 3.41Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.49Å; Y152-L155 PolarHBondContact O-N 3.44Å; Y152-G156 PolarHBondContact O-N 2.82Å; Y152-L157 CarbonylContact C-O 3.59Å; Y152-L157 HydrophobicContact CD1-CB 3.52Å; Y152-L157 HydrophobicContact CD1-CD1 4.18Å; Y152-L157 HydrophobicContact CD1-CG 4.49Å; Y152-L157 HydrophobicContact CE1-CB 4.2Å; Y152-L157 HydrophobicContact CE1-CD1 4.32Å; Y152-L157 HydrophobicContact CG-CB 4.32Å; Y152-L157 WeakPolarHBondContact O-CA 3.41Å; Y152-L157 WeakPolarHBondContact O-CB 3.31Å; Y152-L157 PolarHBondContact O-N 2.66Å; Y152-E158 VanDerWaalsContact CD1-O 3.26Å; Y152-E158 WeakPolarHBondContact CD1-O 3.34Å; Y152-P159 HydrophobicContact CG-CB 4.44Å; Y152-P160 HydrophobicContact CE1-CG 4.11Å; Y152-P160 HydrophobicContact CE2-CG 4.38Å; Y152-L163 HydrophobicContact CD2-CD1 3.98Å; Y152-L163 HydrophobicContact CE2-CD1 4.29Å |
| 153 | M | 76.5 | Confident | 73.5 | Confident | 105 Ų | 105 | 50 Ų | 50 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 179.4 | -72.9 | -66.1 | -70 | 0 | 0 | 112 | F149 C150 G156 P159 | F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.89Å; F149-M153 HydrophobicContact CZ-CG 4.16Å; F149-M153 HydrophobicContact CZ-SD 4.42Å; F149-M153 WeakPolarHBondContact O-CG 3.37Å; F149-M153 PolarHBondContact O-N 3.14Å; C150-M153 PolarHBondContact O-N 3.29Å; M153-G156 PolarHBondContact O-N 3.24Å; M153-G156 VanDerWaalsContact O-N 3.11Å; M153-P159 HydrophobicContact CG-CG 3.92Å; M153-P159 HydrophobicContact SD-CG 3.82Å |
| 154 | N | 67.4 | Low | 73.8 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.1 | -27 | -176.1 | -68.7 | -37 | 0 | 0 | 0 | 113.6 | G108 C150 Y152 G156 | G108-N154 VanDerWaalsContact CA-CB 3.44Å; G108-N154 WeakPolarHBondContact CA-ND2 3.43Å; C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 2.97Å; C150-N154 PolarHBondContact O-ND2 2.9Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.49Å; N154-G156 PolarHBondContact O-N 3.05Å |
| 155 | L | 66.5 | Low | 73.5 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 4.6 | 167.1 | -68.9 | 172.9 | 0 | 0 | 0 | 113.1 | I115 W128 L132 V151 Y152 L157 | I115-L155 HydrophobicContact CD1-CD2 4.26Å; W128-L155 HydrophobicContact CB-CD1 4.43Å; W128-L155 HydrophobicContact CD2-CD1 4.13Å; W128-L155 HydrophobicContact CE3-CD1 4.11Å; W128-L155 HydrophobicContact CG-CD1 4.27Å; L132-L155 HydrophobicContact CD1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 HydrophobicContact CG1-CG 4.47Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 2.95Å; Y152-L155 PolarHBondContact O-N 3.44Å; L155-L157 HydrophobicContact CB-CD1 3.97Å; L155-L157 HydrophobicContact CB-CG 3.75Å; L155-L157 HydrophobicContact CD1-CD1 4.24Å; L155-L157 PolarHBondContact O-N 2.75Å |
| 156 | G | 73.2 | Confident | 72.7 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 26.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y152 M153 N154 | Y152-G156 PolarHBondContact O-N 2.82Å; M153-G156 PolarHBondContact O-N 3.24Å; M153-G156 VanDerWaalsContact O-N 3.11Å; N154-G156 PolarHBondContact O-N 3.05Å |
| 157 | L | 75.2 | Confident | 71.8 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 150.2 | -179 | -53.4 | -174.5 | 0 | 0 | 0 | 110.4 | K129 L132 Y152 L155 P159 | K129-L157 HydrophobicContact CD-CD2 4.03Å; K129-L157 HydrophobicContact CG-CD1 4.13Å; K129-L157 HydrophobicContact CG-CD2 3.51Å; K129-L157 HydrophobicContact CG-CG 4.45Å; L132-L157 HydrophobicContact CD1-CD1 3.98Å; Y152-L157 CarbonylContact C-O 3.59Å; Y152-L157 HydrophobicContact CD1-CB 3.52Å; Y152-L157 HydrophobicContact CD1-CD1 4.18Å; Y152-L157 HydrophobicContact CD1-CG 4.49Å; Y152-L157 HydrophobicContact CE1-CB 4.2Å; Y152-L157 HydrophobicContact CE1-CD1 4.32Å; Y152-L157 HydrophobicContact CG-CB 4.32Å; Y152-L157 WeakPolarHBondContact O-CA 3.41Å; Y152-L157 WeakPolarHBondContact O-CB 3.31Å; Y152-L157 PolarHBondContact O-N 2.66Å; L155-L157 HydrophobicContact CB-CD1 3.97Å; L155-L157 HydrophobicContact CB-CG 3.75Å; L155-L157 HydrophobicContact CD1-CD1 4.24Å; L155-L157 PolarHBondContact O-N 2.75Å; L157-P159 WeakPolarHBondContact O-CD 3.37Å |
| 158 | E | 78.3 | Confident | 70.9 | Confident | 175 Ų | 175 | 56.6 Ų | 56.6 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -76 | 117.9 | 171.1 | -172.5 | 159.9 | -139.9 | 0 | 0 | 109.2 | Y152 | Y152-E158 VanDerWaalsContact CD1-O 3.26Å; Y152-E158 WeakPolarHBondContact CD1-O 3.34Å |
| 159 | P | 78.9 | Confident | 69.5 | Low | 27 Ų | 27 | 58.5 Ų | 58.5 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 137 | 178 | -18.4 | 31.4 | 0 | 0 | 0 | 110.9 | F149 Y152 M153 L157 L163 | F149-P159 HydrophobicContact CD2-CB 3.62Å; F149-P159 HydrophobicContact CD2-CG 3.81Å; F149-P159 HydrophobicContact CE2-CB 3.78Å; F149-P159 HydrophobicContact CE2-CG 3.65Å; F149-P159 HydrophobicContact CZ-CG 4.31Å; Y152-P159 HydrophobicContact CG-CB 4.44Å; M153-P159 HydrophobicContact CG-CG 3.92Å; M153-P159 HydrophobicContact SD-CG 3.82Å; L157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-L163 HydrophobicContact CB-CD1 4.36Å |
| 160 | P | 77.5 | Confident | 67.6 | Low | 41 Ų | 41 | 63.1 Ų | 63.1 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 140.8 | 171 | -25.1 | 35.3 | 0 | 0 | 0 | 111.4 | V137 Y152 C162 L163 | V137-P160 HydrophobicContact CG2-CG 4.43Å; Y152-P160 HydrophobicContact CE1-CG 4.11Å; Y152-P160 HydrophobicContact CE2-CG 4.38Å; P160-C162 PolarHBondContact O-N 3.06Å; P160-L163 PolarHBondContact O-N 2.7Å |
| 161 | E | 76.5 | Confident | 66 | Low | 180 Ų | 180 | 68.3 Ų | 68.3 | 84% | 0.841 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -7.5 | -178.8 | -58.7 | -174 | 138.4 | 0 | 0 | 114.2 | ||
| 162 | C | 77 | Confident | 64.1 | Low | 66 Ų | 66 | 71.8 Ų | 71.8 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 7.8 | 173.4 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | P160 | P160-C162 PolarHBondContact O-N 3.06Š|
| 163 | L | 77.2 | Confident | 62 | Low | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -98.5 | 140.7 | 167.8 | -64.6 | -179.7 | 0 | 0 | 0 | 109.8 | V137 K141 L148 F149 Y152 P159 P160 N165 | V137-L163 HydrophobicContact CG1-CD2 3.96Å; V137-L163 HydrophobicContact CG1-CG 4.37Å; K141-L163 HydrophobicContact CB-CD2 3.94Å; L148-L163 HydrophobicContact CB-CD1 3.82Å; L148-L163 HydrophobicContact CB-CD2 3.81Å; L148-L163 HydrophobicContact CB-CG 4.5Å; L148-L163 HydrophobicContact CD1-CD2 3.92Å; F149-L163 HydrophobicContact CB-CB 4.45Å; F149-L163 HydrophobicContact CD2-CB 4.37Å; Y152-L163 HydrophobicContact CD2-CD1 3.98Å; Y152-L163 HydrophobicContact CE2-CD1 4.29Å; P159-L163 HydrophobicContact CB-CD1 4.36Å; P160-L163 PolarHBondContact O-N 2.7Å; L163-N165 PolarHBondContact O-N 2.65Å |
| 164 | P | 71 | Confident | 59.9 | Low | 45 Ų | 45 | 78.3 Ų | 78.3 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.5 | 178.2 | 28.1 | -34 | 0 | 0 | 0 | 110.4 | R146 L169 | R146-P164 HydrophobicContact CG-CG 4.22Å; P164-L169 HydrophobicContact CB-CD1 4.36Å |
| 165 | N | 62.9 | Low | 58.1 | Low | 37 Ų | 37 | 87.6 Ų | 87.6 | 20% | 0.198 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 135.7 | 172.7 | -63.6 | -67.1 | 0 | 0 | 0 | 109.9 | F149 L163 T167 E168 | F149-N165 HydrophobicContact CE2-CB 4.48Å; F149-N165 WeakPolarHBondContact CE2-OD1 3.31Å; L163-N165 PolarHBondContact O-N 2.65Å; N165-T167 PolarHBondContact O-N 3.28Å; N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 PolarHBondContact ND2-OE1 2.91Å; N165-E168 PolarHBondContact O-N 3.48Å |
| 166 | D | 58.7 | Low | 56.4 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 34% | 0.342 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.6 | -24.3 | 176.3 | -57.1 | -51.1 | 0 | 0 | 0 | 112.9 | F149 | F149-D166 WeakPolarHBondContact CD1-OD2 3.29Å; F149-D166 WeakPolarHBondContact CE1-OD2 3.42Å |
| 167 | T | 54.7 | Low | 54.4 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.2 | -16.4 | 174.8 | 32 | 0 | 0 | 0 | 0 | 115.7 | N165 | N165-T167 PolarHBondContact O-N 3.28Å |
| 168 | E | 49.6 | Very low | 52.4 | Low | 110 Ų | 110 | 103.8 Ų | 103.8 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -87.9 | -19.8 | 179 | -75.5 | 166.2 | -140.3 | 0 | 0 | 112.4 | N165 S172 | N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 PolarHBondContact ND2-OE1 2.91Å; N165-E168 PolarHBondContact O-N 3.48Å; E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-OG 3.04Å |
| 169 | L | 44.3 | Very low | 50.4 | Low | 39 Ų | 39 | 104 Ų | 104 | 20% | 0.204 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -87.6 | -26.4 | -171.3 | -70.4 | 163.6 | 0 | 0 | 0 | 113.6 | R146 P164 T171 E173 | R146-L169 HydrophobicContact CG-CD1 4.11Å; R146-L169 VanDerWaalsContact NE-CD1 3.26Å; P164-L169 HydrophobicContact CB-CD1 4.36Å; L169-T171 PolarHBondContact O-N 3.46Å; L169-T171 VanDerWaalsContact O-N 3.16Å; L169-E173 HydrophobicContact CD2-CB 4.4Å; L169-E173 HydrophobicContact CD2-CG 3.75Å; L169-E173 VanDerWaalsContact CD2-OE1 3.3Å; L169-E173 WeakPolarHBondContact CD2-OE1 3.22Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.36Å |
| 170 | T | 38.6 | Very low | 48.2 | Very low | 120 Ų | 120 | 109.9 Ų | 109.9 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 6.1 | 176.9 | 50 | 0 | 0 | 0 | 0 | 114.1 | ||
| 171 | T | 36 | Very low | 46.5 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 77% | 0.773 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.8 | -4.2 | 176.1 | -39 | 0 | 0 | 0 | 0 | 113.9 | L169 | L169-T171 PolarHBondContact O-N 3.46Å; L169-T171 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 30.2 | Very low | 44.6 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.8 | -15.4 | -164.5 | -38 | 0 | 0 | 0 | 0 | 117.2 | E168 S174 | E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-OG 3.04Å; S172-S174 PolarHBondContact O-N 3.05Å |
| 173 | E | 33 | Very low | 42.9 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | trans | -94.7 | 62.3 | 175 | -85.1 | -174.8 | -178.1 | 0 | 0 | 112.1 | R146 L169 | R146-E173 IonicContact NH2-OE1 3.71Å; R146-E173 IonicContact NH2-OE2 3.57Å; R146-E173 PolarHBondContact NH2-OE2 3.38Å; L169-E173 HydrophobicContact CD2-CB 4.4Å; L169-E173 HydrophobicContact CD2-CG 3.75Å; L169-E173 VanDerWaalsContact CD2-OE1 3.3Å; L169-E173 WeakPolarHBondContact CD2-OE1 3.22Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.36Å | ||
| 174 | S | 30.6 | Very low | 41.3 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | trans | -135.3 | 40.4 | 162.1 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | S172 | S172-S174 PolarHBondContact O-N 3.05Š| ||
| 175 | R | 31.1 | Very low | 39.6 | Very low | 233 Ų | 233 | 130.4 Ų | 130.4 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | -111.2 | 113.4 | 167 | -73.4 | -171.8 | 172.6 | -162.6 | -4.3 | 108.7 | ||||
| 176 | T | 31.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | -53.4 | 135.7 | 168.2 | 38.9 | 0 | 0 | 0 | 0 | 110.1 | E178 | T176-E178 PolarHBondContact O-N 3.5Å; T176-E178 PolarHBondContact OG1-O 2.83Å | ||
| 177 | L | 31 | Very low | 37.2 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 95% | 0.953 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -80.7 | 37 | 165.2 | -163 | 96.1 | 0 | 0 | 0 | 110.9 | ||
| 178 | E | 32.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -148.4 | 95.4 | 174.8 | -73.9 | -165.8 | 157.8 | 0 | 0 | 107.2 | T176 | T176-E178 PolarHBondContact O-N 3.5Å; T176-E178 PolarHBondContact OG1-O 2.83Å | ||
| 179 | E | 35.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -148.8 | 140.5 | 139.5 | -157 | 161.5 | -167.3 | 0 | 0 | 110.2 | ||||
| 180 | N | 32.3 | Very low | 35.2 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -83.8 | 169.4 | -177.7 | -55.4 | -86.6 | 0 | 0 | 0 | 110.6 | ||||
| 181 | V | 42 | Very low | 34.9 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | 176.7 | 127 | 116 | 150.8 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 182 | D | 35.7 | Very low | 34.9 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 132.8 | 164.6 | -78.5 | -58.4 | 0 | 0 | 0 | 109.7 | ||||
| 183 | E | 41.4 | Very low | 35.1 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -144.1 | 94.4 | 155.3 | -161.4 | 161.4 | -154.4 | 0 | 0 | 112.9 | ||||
| 184 | V | 44.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | trans | 43.1 | 132.1 | 135.1 | -169.9 | 0 | 0 | 0 | 0 | 120.6 | G186 | V184-G186 PolarHBondContact O-N 2.95Š| ||
| 185 | D | 36.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -48.7 | 128.7 | 166.8 | -78.3 | -64.4 | 0 | 0 | 0 | 114.2 | ||||
| 186 | G | 33.1 | Very low | 35.5 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -168.1 | 88.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | V184 | V184-G186 PolarHBondContact O-N 2.95Š| ||
| 187 | V | 38.2 | Very low | 35.8 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 49.7 | 110.1 | 146.9 | -171.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 188 | I | 35 | Very low | 35.9 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -26.8 | 124.9 | 155.9 | -55.3 | 163.2 | 0 | 0 | 0 | 115.1 | ||||
| 189 | S | 36.6 | Very low | 36 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 156.1 | 149.9 | -85.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 190 | S | 35 | Very low | 36 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -129.2 | 131.7 | -157.2 | 52.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 191 | S | 30.4 | Very low | 36 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 66.1 | 169.7 | 153.6 | -131.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 192 | P | 37.6 | Very low | 36 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -122.1 | 174.8 | -34.5 | 16.3 | 6.9 | 0 | 0 | 0 | 114 | ||||
| 193 | R | 33.1 | Very low | 36.3 | Very low | 234 Ų | 234 | 136.2 Ų | 136.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 141.6 | 177.1 | -175 | -167.8 | -165.1 | -174.2 | 7.2 | 115.9 | ||||
| 194 | P | 35.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -141.4 | 160.8 | 123.7 | 38 | -26.2 | 0 | 0 | 0 | 111.8 | |||||
| 195 | S | 34.5 | Very low | 36.2 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | cis | 172.2 | 147.7 | -20.3 | 53.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 196 | N | 33 | Very low | 36.6 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 64.7 | 96.7 | 163.1 | -56 | -14.1 | 0 | 0 | 0 | 120.7 | ||||
| 197 | V | 37.5 | Very low | 37.1 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | -134.7 | 150.1 | 128.3 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 198 | M | 34.3 | Very low | 37.2 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 135.7 | -163.5 | -61.5 | 168.6 | 65.4 | 0 | 0 | 116.6 | ||
| 199 | Q | 33.8 | Very low | 37.4 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 142 | 157.7 | -68.3 | 177.8 | -58.7 | 0 | 0 | 110.3 | ||
| 200 | S | 36 | Very low | 37.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -83 | 126.3 | 159.9 | 43.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 201 | S | 32.3 | Very low | 37.9 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.4 | -178.7 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | V203 | S201-V203 PolarHBondContact O-N 3.4Š|
| 202 | P | 42.2 | Very low | 38.6 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 117.5 | 176.6 | 27.7 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 203 | V | 42 | Very low | 38.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 126.8 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | S201 R205 T207 | S201-V203 PolarHBondContact O-N 3.4Å; V203-R205 PolarHBondContact O-N 3.26Å; V203-T207 WeakPolarHBondContact CG1-OG1 3.48Å |
| 204 | P | 42.4 | Very low | 38.9 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.1 | -177.4 | -26.3 | 35.1 | 0 | 0 | 0 | 113.4 | N206 T207 | P204-N206 PolarHBondContact O-N 3.48Å; P204-T207 PolarHBondContact O-N 3.3Å; P204-T207 PolarHBondContact O-OG1 3.3Å |
| 205 | R | 42.9 | Very low | 38.8 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -49.5 | -18.3 | -176.2 | -87.2 | 177.5 | 164.8 | 145.3 | -5.4 | 115.8 | V203 | V203-R205 PolarHBondContact O-N 3.26Å |
| 206 | N | 43.3 | Very low | 38.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -68 | -30.6 | 176.4 | -75.8 | -13.1 | 0 | 0 | 0 | 114.5 | P204 | P204-N206 PolarHBondContact O-N 3.48Å |
| 207 | T | 43.3 | Very low | 39 | Very low | 74 Ų | 74 | 140 Ų | 140 | 45% | 0.454 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -78.8 | -31.9 | 179 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | V203 P204 R209 Q210 S211 | V203-T207 WeakPolarHBondContact CG1-OG1 3.48Å; P204-T207 PolarHBondContact O-N 3.3Å; P204-T207 PolarHBondContact O-OG1 3.3Å; T207-R209 PolarHBondContact O-N 2.76Å; T207-Q210 CarbonylContact O-C 3.58Å; T207-Q210 WeakPolarHBondContact O-CA 3.5Å; T207-Q210 WeakPolarHBondContact O-CB 3.41Å; T207-Q210 PolarHBondContact O-N 2.95Å; T207-S211 PolarHBondContact O-N 3.47Å; T207-S211 VanDerWaalsContact O-N 3.09Å |
| 208 | L | 40.5 | Very low | 38.9 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -63.6 | -30.9 | 175.3 | -153.8 | 79 | 0 | 0 | 0 | 111.8 | Q210 S211 | L208-Q210 PolarHBondContact O-N 3.22Å; L208-S211 WeakPolarHBondContact CA-OG 3.31Å; L208-S211 PolarHBondContact O-N 2.88Å; L208-S211 PolarHBondContact O-OG 3.45Å; L208-S211 VanDerWaalsContact O-OG 3.13Å |
| 209 | R | 39.4 | Very low | 39 | Very low | 216 Ų | 216 | 137.3 Ų | 137.3 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -8.3 | 170.2 | -74.9 | -176.7 | 170.1 | -114.6 | 1 | 114.2 | T207 | T207-R209 PolarHBondContact O-N 2.76Š|
| 210 | Q | 44.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -14.6 | 174.1 | -61.9 | -169.4 | 5.3 | 0 | 0 | 113.6 | T207 L208 | T207-Q210 CarbonylContact O-C 3.58Å; T207-Q210 WeakPolarHBondContact O-CA 3.5Å; T207-Q210 WeakPolarHBondContact O-CB 3.41Å; T207-Q210 PolarHBondContact O-N 2.95Å; L208-Q210 PolarHBondContact O-N 3.22Å |
| 211 | S | 37.6 | Very low | 39.4 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -86.3 | -0.3 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 114.9 | T207 L208 | T207-S211 PolarHBondContact O-N 3.47Å; T207-S211 VanDerWaalsContact O-N 3.09Å; L208-S211 WeakPolarHBondContact CA-OG 3.31Å; L208-S211 PolarHBondContact O-N 2.88Å; L208-S211 PolarHBondContact O-OG 3.45Å; L208-S211 VanDerWaalsContact O-OG 3.13Å |
| 212 | L | 45.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -76.5 | 133.5 | 170.1 | -80 | 166.6 | 0 | 0 | 0 | 110.6 | R214 | L212-R214 PolarHBondContact O-N 3.49Š|
| 213 | P | 42.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -62.6 | 101.9 | -173.7 | -26.5 | 36 | 0 | 0 | 0 | 115 | A215 | P213-A215 PolarHBondContact O-N 2.71Š| ||
| 214 | R | 34 | Very low | 39 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | trans | -70.4 | 66.7 | 165.2 | -86.9 | -175.5 | 158.6 | -157.9 | -1.7 | 112.3 | L212 L216 F217 | L212-R214 PolarHBondContact O-N 3.49Å; R214-L216 PolarHBondContact O-N 2.84Å; R214-F217 PolarHBondContact O-N 3.23Å | ||
| 215 | A | 34 | Very low | 38.6 | Very low | 84 Ų | 84 | 143 Ų | 143 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 117.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P213 | P213-A215 PolarHBondContact O-N 2.71Š|
| 216 | L | 35 | Very low | 38.2 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -142.1 | 74.8 | 11.6 | -66.7 | 168 | 0 | 0 | 0 | 112.4 | R214 | R214-L216 PolarHBondContact O-N 2.84Š|
| 217 | F | 35.4 | Very low | 37.9 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -148.9 | 119.5 | 161.2 | -72.5 | -68.7 | 0 | 0 | 0 | 110.1 | R214 | R214-F217 PolarHBondContact O-N 3.23Š| ||
| 218 | T | 36.9 | Very low | 37.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -135.3 | 121.1 | 177.1 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 219 | D | 36.2 | Very low | 37.2 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -65.6 | 150.9 | 178.4 | -52.2 | -81.1 | 0 | 0 | 0 | 112.1 | ||||
| 220 | S | 37 | Very low | 37.3 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -113.8 | 94.8 | 173.5 | -69 | 0 | 0 | 0 | 0 | 110.1 | Q222 | S220-Q222 PolarHBondContact O-N 3.43Š| ||
| 221 | I | 41.4 | Very low | 37 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.6 | 170 | -60.8 | 174 | 0 | 0 | 0 | 108 | ||
| 222 | Q | 36.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83 | 121.4 | 172.5 | -73.3 | -169.6 | -16.2 | 0 | 0 | 110.4 | S220 | S220-Q222 PolarHBondContact O-N 3.43Š|
| 223 | I | 34.2 | Very low | 36.3 | Very low | 145 Ų | 145 | 141 Ų | 141 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 118.1 | 168.2 | -59.4 | 171.6 | 0 | 0 | 0 | 107.7 | L225 | I223-L225 HydrophobicContact CG2-CD1 4.29Š|
| 224 | S | 36.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 133.5 | 167.2 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 225 | L | 33.6 | Very low | 36.3 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 163 | -176.4 | -83.7 | 79.1 | 0 | 0 | 0 | 112.8 | I223 | I223-L225 HydrophobicContact CG2-CD1 4.29Š|
| 226 | S | 34.5 | Very low | 36.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 102.6 | 158.2 | 62.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 227 | S | 37.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | -153 | 161.5 | 111 | -14.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 228 | N | 33.9 | Very low | 36.9 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -92.1 | 147.2 | -175.6 | -55.7 | -31.4 | 0 | 0 | 0 | 111.6 | ||||
| 229 | E | 35.9 | Very low | 36.9 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | -172 | 168.3 | 104.1 | -99.5 | 179.6 | 159.8 | 0 | 0 | 111.8 | |||||
| 230 | T | 39.9 | Very low | 37 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -137.5 | -174.8 | -166.1 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | P | 39.2 | Very low | 36.9 | Very low | 97 Ų | 97 | 136 Ų | 136 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | -127.6 | 177.8 | -72.9 | 39.2 | -24.6 | 0 | 0 | 0 | 112.6 | |||||
| 232 | N | 33.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | 173 | 151.8 | 121.7 | -89 | -39.1 | 0 | 0 | 0 | 113.7 | |||||
| 233 | P | 35 | Very low | 36.6 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -102.9 | 173.2 | 176.3 | 40.5 | -35.1 | 0 | 0 | 0 | 113.3 | ||||
| 234 | L | 38.6 | Very low | 36.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -176.3 | 140.1 | 137.6 | -101.7 | 165.6 | 0 | 0 | 0 | 114.7 | ||||
| 235 | T | 37.6 | Very low | 36.5 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | 59.8 | 121.2 | 149.6 | 42.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 236 | S | 37.9 | Very low | 36.7 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | 76.7 | 93.4 | 124 | 72.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 237 | T | 39 | Very low | 36.6 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | 62.1 | 155 | 119.9 | 47.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 238 | P | 41.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -121.3 | 169.5 | -149.6 | 43.2 | -31.8 | 0 | 0 | 0 | 117.3 | ||||
| 239 | I | 37 | Very low | 36.8 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -133 | 161.2 | 162.5 | -64.5 | -176 | 0 | 0 | 0 | 109.5 | ||||
| 240 | L | 37.3 | Very low | 36.7 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -87.7 | 162.9 | -159.8 | -66.5 | 88.1 | 0 | 0 | 0 | 117.3 | ||||
| 241 | S | 35.5 | Very low | 36.8 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 86.5 | 115.7 | 134.4 | 63.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 242 | N | 35.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 86.2 | 141.7 | 124.9 | -77.1 | 3.7 | 0 | 0 | 0 | 123.2 | |||||
| 243 | V | 36.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 82.4 | 95.6 | 152.5 | 172.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 244 | I | 33.8 | Very low | 36.9 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | 46.4 | 108.6 | 125 | -53.2 | 163.3 | 0 | 0 | 0 | 117.9 | |||||
| 245 | N | 34.8 | Very low | 36.8 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | -175.5 | 155.3 | 105.6 | -112.5 | -29 | 0 | 0 | 0 | 117 | |||||
| 246 | S | 36.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 45.8 | 106.9 | 141.9 | -53.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 247 | C | 32.7 | Very low | 36.4 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | 75.9 | 159 | 123.7 | -65.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 248 | P | 37.2 | Very low | 36.2 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -109.4 | 168.9 | -161.4 | 41.4 | -33.6 | 0 | 0 | 0 | 114.9 | ||||
| 249 | V | 37.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -123.9 | 124.6 | 170.8 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 250 | N | 34.7 | Very low | 35.4 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -79.9 | 147.4 | 165.3 | -101 | -12.4 | 0 | 0 | 0 | 109.7 | ||||
| 251 | I | 41.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -120.1 | 128.2 | 163.9 | -64.2 | -179.8 | 0 | 0 | 0 | 108 | ||||
| 252 | E | 34.6 | Very low | 35.4 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -116.8 | 121.2 | -166 | 179.7 | 172.1 | -137.5 | 0 | 0 | 110.6 | ||||
| 253 | S | 38.5 | Very low | 35.5 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -176.8 | 151.4 | 171.9 | -84.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 254 | S | 37.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | cis | -168 | 115.4 | -26.6 | -178 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 255 | S | 35.2 | Very low | 36 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | 75.2 | 153.6 | 151 | 88 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 256 | K | 37.2 | Very low | 36.4 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 80.7 | 93.8 | 152.3 | -70.1 | 168.8 | -175.1 | 173.9 | 0 | 121.4 | ||||
| 257 | Y | 31.2 | Very low | 36.6 | Very low | 221 Ų | 221 | 145.4 Ų | 145.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | 30.5 | 118.6 | 128.8 | -66.7 | -86.3 | 0 | 0 | 0 | 119.9 | |||||
| 258 | Q | 34.4 | Very low | 36.9 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | -160.6 | 166.3 | 105.9 | -109.6 | 177.1 | 21.6 | 0 | 0 | 113.4 | |||||
| 259 | S | 34.6 | Very low | 37.3 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -94.8 | 142.3 | -165.8 | 179.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 260 | C | 27.4 | Very low | 37.5 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 43.7 | 106.7 | 155.2 | -69.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 261 | K | 38.4 | Very low | 38 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -155.8 | 135.1 | 131.2 | -106 | 137.2 | -168.1 | 171.7 | 0 | 113.6 | ||||
| 262 | T | 34.5 | Very low | 38.2 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 128.6 | 176.5 | -35.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 263 | L | 36.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -128.1 | 154.7 | 171.9 | -80.6 | 168.6 | 0 | 0 | 0 | 110 | ||||
| 264 | P | 40.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -112.9 | 154.4 | -125.5 | 38.3 | -34.1 | 0 | 0 | 0 | 115.6 | |||||
| 265 | T | 40.2 | Very low | 38.8 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -58 | 135.2 | 165.9 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | H267 | T265-H267 PolarHBondContact O-N 3.02Š| ||
| 266 | P | 43.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 122.4 | -178.1 | 26.5 | -34.2 | 0 | 0 | 0 | 111.6 | L268 | P266-L268 PolarHBondContact O-N 3.45Š| ||
| 267 | H | 40.2 | Very low | 38.8 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -84.8 | 100.1 | -175.4 | -150.8 | -59.6 | 0 | 0 | 0 | 110.3 | T265 V269 | T265-H267 PolarHBondContact O-N 3.02Å; H267-V269 PolarHBondContact O-N 3.07Å; H267-V269 VanDerWaalsContact O-N 3.15Å | ||
| 268 | L | 39.2 | Very low | 39.4 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -65.8 | 113.8 | 178.4 | -70.2 | 175.6 | 0 | 0 | 0 | 111.1 | P266 | P266-L268 PolarHBondContact O-N 3.45Š| ||
| 269 | V | 45.5 | Very low | 39.4 | Very low | 123 Ų | 123 | 155 Ų | 155 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | trans | -91.3 | 111.2 | 176.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | H267 I271 | H267-V269 PolarHBondContact O-N 3.07Å; H267-V269 VanDerWaalsContact O-N 3.15Å; V269-I271 PolarHBondContact O-N 3.3Å | ||
| 270 | L | 41.6 | Very low | 39.4 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -71.2 | 107.2 | 173.8 | -82.5 | 165.7 | 0 | 0 | 0 | 111 | P272 | L270-P272 WeakPolarHBondContact O-CD 3.36Š| ||
| 271 | I | 46.5 | Very low | 39.9 | Very low | 146 Ų | 146 | 162.3 Ų | 162.3 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | -69.3 | 120 | 173.2 | -59.6 | 175.5 | 0 | 0 | 0 | 109.4 | V269 C273 | V269-I271 PolarHBondContact O-N 3.3Å; I271-C273 PolarHBondContact O-N 2.75Å; I271-C273 VanDerWaalsContact O-N 3.16Å | ||
| 272 | P | 45.9 | Very low | 39.9 | Very low | 113 Ų | 113 | 159.1 Ų | 159.1 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -85.2 | 92 | -174 | 32.8 | -34.2 | 0 | 0 | 0 | 112.4 | L270 Q274 | L270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-Q274 PolarHBondContact O-N 2.82Å | ||
| 273 | C | 40.8 | Very low | 40.2 | Very low | 123 Ų | 123 | 158 Ų | 158 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -55.3 | 134.8 | 168.2 | -82.7 | 0 | 0 | 0 | 0 | 111.6 | I271 | I271-C273 PolarHBondContact O-N 2.75Å; I271-C273 VanDerWaalsContact O-N 3.16Å | ||
| 274 | Q | 44.3 | Very low | 40.3 | Very low | 194 Ų | 194 | 157 Ų | 157 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -72.5 | 134.4 | -164.4 | -63.9 | -170.3 | 2.1 | 0 | 0 | 113.6 | P272 S276 | P272-Q274 PolarHBondContact O-N 2.82Å; Q274-S276 PolarHBondContact O-N 3.13Å | ||
| 275 | R | 36.3 | Very low | 40.2 | Very low | 225 Ų | 225 | 161.4 Ų | 161.4 | 85% | 0.849 | 83% | 0.831 | S | S | * | * | trans | -62.1 | 114.3 | 176.4 | -80.4 | 175.7 | 158.5 | 175.6 | -5.8 | 112.4 | K277 | R275-K277 HydrophobicContact CB-CG 4.48Å; R275-K277 PolarHBondContact O-N 2.94Å | ||
| 276 | S | 37.5 | Very low | 40 | Very low | 121 Ų | 121 | 167 Ų | 167 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -64.1 | 115.9 | 156.5 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | Q274 | Q274-S276 PolarHBondContact O-N 3.13Š| ||
| 277 | K | 36.6 | Very low | 39.7 | Very low | 182 Ų | 182 | 169 Ų | 169 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | trans | -99.5 | 92 | -173.6 | -68.7 | 174.2 | -174.2 | 166 | 0 | 111.7 | R275 | R275-K277 HydrophobicContact CB-CG 4.48Å; R275-K277 PolarHBondContact O-N 2.94Å | ||
| 278 | R | 42.1 | Very low | 39.7 | Very low | 241 Ų | 241 | 166.8 Ų | 166.8 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -122.8 | 113.1 | 159.2 | -75.8 | -170.2 | 169.5 | 172.2 | -1.4 | 111.5 | ||||
| 279 | K | 34.4 | Very low | 39.7 | Very low | 208 Ų | 208 | 165.6 Ų | 165.6 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | -87.1 | 120.1 | 179.5 | -66.9 | 173.1 | 177.5 | 173.4 | 0 | 109.8 | ||||
| 280 | C | 35.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 169.2 Ų | 169.2 | 84% | 0.838 | 85% | 0.847 | S | S | * | * | trans | -111.1 | 121.4 | 161.1 | -71 | 0 | 0 | 0 | 0 | 109 | ||||
| 281 | R | 37.4 | Very low | 38.8 | Very low | 245 Ų | 245 | 172.9 Ų | 172.9 | 93% | 0.925 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 121.8 | -177.5 | -78.2 | 170.4 | 158.6 | 161.4 | -8.8 | 110.7 | P283 | R281-P283 WeakPolarHBondContact O-CD 3.45Š|
| 282 | T | 38.5 | Very low | 38.3 | Very low | 136 Ų | 136 | 174.6 Ų | 174.6 | 83% | 0.834 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 123.6 | 161.4 | -21.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 283 | P | 40.2 | Very low | 37.7 | Very low | 120 Ų | 120 | 174 Ų | 174 | 78% | 0.779 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 131.9 | -179 | -18.2 | 32.9 | 0 | 0 | 0 | 113.1 | R281 | R281-P283 WeakPolarHBondContact O-CD 3.45Š|
| 284 | T | 40.6 | Very low | 37.5 | Very low | 135 Ų | 135 | 180.2 Ų | 180.2 | 83% | 0.828 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.3 | 177.8 | -48.4 | 0 | 0 | 0 | 0 | 112 | R286 | T284-R286 PolarHBondContact O-N 3.19Š|
| 285 | K | 36.1 | Very low | 37.1 | Very low | 203 Ų | 203 | 180.4 Ų | 180.4 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.6 | 172.8 | -68.8 | -172.7 | 177.2 | -175.6 | 0 | 110.8 | ||
| 286 | R | 37.4 | Very low | 37.1 | Very low | 244 Ų | 244 | 179.5 Ų | 179.5 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 138.7 | 163.4 | -83.7 | -176.5 | 164.6 | 169.5 | -4.5 | 109.9 | T284 | T284-R286 PolarHBondContact O-N 3.19Š|
| 287 | L | 37.2 | Very low | 37.1 | Very low | 163 Ų | 163 | 179.1 Ų | 179.1 | 85% | 0.853 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 129.6 | -175.3 | -64.2 | 163.6 | 0 | 0 | 0 | 111.5 | ||
| 288 | P | 39.2 | Very low | 37.2 | Very low | 128 Ų | 128 | 177.2 Ų | 177.2 | 83% | 0.831 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 143.8 | 158.6 | -14.4 | 30.9 | 0 | 0 | 0 | 110.6 | ||
| 289 | V | 40.4 | Very low | 36.9 | Very low | 139 Ų | 139 | 172.6 Ų | 172.6 | 84% | 0.842 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 164.3 | -175.8 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 290 | K | 37.2 | Very low | 37.2 | Very low | 198 Ų | 198 | 169 Ų | 169 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 154.5 | -171.3 | -66 | 179.3 | 176.4 | -179.6 | 0 | 116 | ||
| 291 | R | 30.9 | Very low | 37.4 | Very low | 243 Ų | 243 | 168.5 Ų | 168.5 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -33.3 | 139.1 | 156.8 | -58.6 | 159.9 | 106.9 | 109.5 | -7.6 | 112.8 | ||||
| 292 | E | 36.1 | Very low | 37.6 | Very low | 181 Ų | 181 | 162.1 Ų | 162.1 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -140.4 | 144.2 | 149.4 | -166.7 | 60.4 | -93.5 | 0 | 0 | 108.2 | ||||
| 293 | S | 32.6 | Very low | 37.6 | Very low | 100 Ų | 100 | 161.3 Ų | 161.3 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | trans | -99.3 | 145.1 | -169 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 294 | R | 36.7 | Very low | 37.6 | Very low | 254 Ų | 254 | 161.4 Ų | 161.4 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -152 | 142.4 | 155.3 | -120.8 | 170.4 | -171.2 | -170.4 | 0.8 | 114.6 | ||||
| 295 | K | 35.6 | Very low | 37.5 | Very low | 198 Ų | 198 | 166.2 Ų | 166.2 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 151 | -176.2 | -50.3 | 168.8 | -179 | 178.4 | 0 | 110.9 | ||||
| 296 | K | 36.1 | Very low | 37.6 | Very low | 207 Ų | 207 | 163.6 Ų | 163.6 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | -172.9 | 135.8 | 124.7 | -108.1 | 179.2 | 178.2 | -171.3 | 0 | 112.6 | |||||
| 297 | P | 37.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 161.9 Ų | 161.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -104.6 | 164.1 | 168.8 | 39.2 | -32.5 | 0 | 0 | 0 | 112.6 | ||||
| 298 | T | 40.5 | Very low | 37.5 | Very low | 143 Ų | 143 | 161.6 Ų | 161.6 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -145.9 | 145.8 | 164.9 | -43.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 299 | N | 35.8 | Very low | 37.8 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -106.6 | 164.6 | -174.7 | -56.8 | -50.1 | 0 | 0 | 0 | 113.2 | ||||
| 300 | T | 40.5 | Very low | 37.6 | Very low | 132 Ų | 132 | 159.7 Ų | 159.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | -162.8 | 110.8 | 126.9 | 24.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 301 | T | 39.1 | Very low | 37.8 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 54.8 | 153.5 | 86.8 | 37.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 302 | P | 42.1 | Very low | 38.3 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -123.1 | 145 | 5.2 | 14.6 | 11.3 | 0 | 0 | 0 | 115.6 | ||||
| 303 | T | 39.1 | Very low | 38.4 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | 62 | 140.4 | 85.2 | 71.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 304 | T | 39.5 | Very low | 39 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | -172.4 | 158.3 | 73.2 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 305 | R | 37.2 | Very low | 39.2 | Very low | 236 Ų | 236 | 143.3 Ų | 143.3 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | 87.2 | 143.7 | 171.4 | -62.5 | -170.3 | 169.7 | -155.9 | -2.6 | 118.6 | ||||
| 306 | Q | 38.3 | Very low | 39.5 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | cis | -169 | 150.8 | -39.2 | -124.3 | -168.2 | 22.3 | 0 | 0 | 113.1 | ||||
| 307 | R | 37.9 | Very low | 39.9 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | 63 | 97.8 | 152.5 | -68.6 | 176.6 | 168.8 | 173.8 | -4.2 | 123.6 | ||||
| 308 | N | 36.5 | Very low | 40.3 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 30.1 | 167.4 | 98 | -55.8 | 8.3 | 0 | 0 | 0 | 121.7 | |||||
| 309 | P | 44.4 | Very low | 40.2 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -147.1 | -172.7 | -47.8 | 44.3 | -26.5 | 0 | 0 | 0 | 116.8 | ||||
| 310 | S | 36.4 | Very low | 40.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 77.7 | 161.6 | 157.5 | 85.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 311 | A | 40.8 | Very low | 40.3 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -158.4 | 166.7 | 2.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 312 | N | 41 | Very low | 40.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 76.1 | 115.4 | 140.6 | -73.7 | -0.1 | 0 | 0 | 0 | 127.5 | ||||
| 313 | S | 39.9 | Very low | 39.9 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 106.5 | 127.8 | 112.7 | -158.9 | 0 | 0 | 0 | 0 | 125 | |||||
| 314 | S | 43.5 | Very low | 40 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | 89.5 | 108.8 | 137.7 | -74.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 315 | K | 42.7 | Very low | 40 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 89.8 | 140.2 | 116.8 | -73.1 | 176.9 | 178.9 | 175.7 | 0 | 124.4 | |||||
| 316 | R | 41 | Very low | 40.4 | Very low | 242 Ų | 242 | 135.9 Ų | 135.9 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | 94.6 | 95.5 | 150.8 | -93.5 | -175.4 | 168.9 | -172.8 | -4.6 | 122.3 | ||||
| 317 | T | 43.4 | Very low | 40.2 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -61.1 | -173.5 | 146.2 | 38.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 318 | P | 47.8 | Very low | 40.3 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -144.1 | -173.2 | 11.2 | 43 | -22.6 | 0 | 0 | 0 | 119 | ||||
| 319 | A | 37.1 | Very low | 40.3 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 75.1 | 149.4 | 144 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 320 | S | 39.4 | Very low | 39.9 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -170.1 | 176.2 | -5 | -107.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 321 | T | 40.3 | Very low | 40 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -176.9 | 151.8 | -31.9 | -82.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 322 | S | 36.4 | Very low | 39.9 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 72 | 138.1 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 323 | A | 36.2 | Very low | 39.6 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | 103 | 118.2 | 5.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 324 | R | 39.7 | Very low | 39.4 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | -178 | 122.7 | 129.8 | -102.8 | 174.7 | 167.6 | 170.6 | -3.3 | 115.3 | |||||
| 325 | T | 41.1 | Very low | 39.3 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | 7.7 | 145.9 | 129.7 | 52.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 326 | P | 44 | Very low | 39 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -146.2 | 168.4 | 62.1 | 40 | -21.2 | 0 | 0 | 0 | 119.7 | |||||
| 327 | R | 35.2 | Very low | 38.9 | Very low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -99.3 | 163.3 | 167.2 | -62.2 | 163.3 | 84.6 | 179.6 | 8.6 | 109.9 | ||||
| 328 | S | 39.9 | Very low | 38.6 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | 126.1 | 150.1 | 133.5 | 74.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 329 | S | 36.8 | Very low | 38.2 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -144.2 | 153.1 | -168.9 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 330 | N | 34.9 | Very low | 38.6 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 72.4 | 117.3 | 165.6 | -48.9 | -21.6 | 0 | 0 | 0 | 116.4 | ||||
| 331 | R | 39.6 | Very low | 38.6 | Very low | 248 Ų | 248 | 146.2 Ų | 146.2 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -132.1 | 123 | 155.1 | -168.6 | 175.5 | -172.7 | 175.6 | 2.1 | 108 | ||||
| 332 | S | 37.4 | Very low | 38.6 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 154.7 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 333 | R | 35.7 | Very low | 38.5 | Very low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -53.7 | 144.8 | 168.2 | -76.2 | 174.5 | 163.3 | 163.8 | -6.8 | 111.2 | ||||
| 334 | S | 35.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | -169.1 | 155.7 | 107.7 | -87 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 335 | H | 41.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | 77.1 | 117.1 | 164.7 | -50.1 | -58.9 | 0 | 0 | 0 | 121.1 | ||||
| 336 | T | 35.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | 79 | 115.7 | 133.9 | 44.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 337 | I | 39.6 | Very low | 38.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 93 | 122 | 130.5 | -66.3 | 165.6 | 0 | 0 | 0 | 119.7 | ||||
| 338 | T | 37.9 | Very low | 38.9 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 57.6 | 146.3 | 167.5 | 44.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 339 | S | 39.4 | Very low | 38.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -158.6 | 163.9 | -13.3 | 36.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 340 | P | 45.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -104.1 | 155.4 | -162.9 | 38.6 | -34.7 | 0 | 0 | 0 | 115.9 | ||||
| 341 | N | 38.4 | Very low | 39.4 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -172.7 | 159.2 | 146 | -112.2 | -10.7 | 0 | 0 | 0 | 110.5 | ||||
| 342 | A | 40.1 | Very low | 39.2 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | -160.1 | 134.1 | -57.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 343 | N | 35.2 | Very low | 39.3 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | trans | -104 | 138.7 | 163.8 | -86 | -1.7 | 0 | 0 | 0 | 108.7 | ||||
| 344 | S | 39.9 | Very low | 39.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -123.9 | 124.4 | -172.6 | 99.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 345 | L | 43.1 | Very low | 39.1 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 66.7 | 147.9 | 159.1 | -69.3 | 62.8 | 0 | 0 | 0 | 115.9 | ||||
| 346 | K | 40.4 | Very low | 38.8 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | -160.2 | 150.1 | -9.7 | -117.6 | 169.6 | 178.4 | -178.5 | 0 | 111.2 | ||||
| 347 | Q | 39.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 47.2 | 131.8 | 145.1 | -65.5 | 164.3 | -71.1 | 0 | 0 | 119.9 | ||||
| 348 | K | 41 | Very low | 38.4 | Very low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | 53.8 | 139.3 | 63.6 | -87.8 | -163.6 | 171.1 | -170.5 | 0 | 114.1 | |||||
| 349 | S | 40.9 | Very low | 38.3 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | -170.9 | -170 | -21.8 | 46.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 350 | T | 41.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | cis | -167.9 | 172.6 | 19.1 | -24.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 351 | L | 40.2 | Very low | 37.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 156.9 | 165.4 | -60 | 159.7 | 0 | 0 | 0 | 116.7 | ||||
| 352 | S | 35.9 | Very low | 37.6 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | cis | -166.6 | 169.8 | -40.9 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 353 | E | 38.4 | Very low | 37.7 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 75.4 | 120.9 | 170.1 | -57.1 | -176.3 | 168 | 0 | 0 | 116.5 | ||||
| 354 | T | 33.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | 55.3 | 127.1 | 95.3 | 6.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 355 | S | 33.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -149.8 | 162.3 | 21.7 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 356 | T | 35 | Very low | 37.5 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | 11.5 | 110.5 | 153.1 | 54.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 357 | S | 32.5 | Very low | 37.3 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -175.5 | 137.2 | 130.1 | -164.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 358 | T | 35 | Very low | 37.8 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 54.2 | 149.5 | 157.7 | 54.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 359 | R | 35.3 | Very low | 37.9 | Very low | 254 Ų | 254 | 145.1 Ų | 145.1 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | 62.9 | 110.8 | 146.5 | -166.9 | -179 | -169.7 | 177.4 | 3.6 | 117.8 | ||||
| 360 | G | 36 | Very low | 38 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -177.9 | 87.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 361 | E | 36 | Very low | 38.1 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -73.3 | 178 | 165.9 | -63.6 | 177.7 | 88.8 | 0 | 0 | 112.1 | ||||
| 362 | S | 37.3 | Very low | 38 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 86.2 | 104.9 | 155.1 | -152.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 363 | K | 40.9 | Very low | 38 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | 43.7 | 106.1 | 131.2 | -61.6 | 166.4 | -177.8 | 160.8 | 0 | 117.5 | ||||
| 364 | R | 38.9 | Very low | 37.9 | Very low | 255 Ų | 255 | 154.3 Ų | 154.3 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -136.9 | 117.2 | 133.5 | -105.9 | 164.9 | -160.7 | -153.5 | 1.7 | 111.5 | ||||
| 365 | R | 36 | Very low | 38.3 | Very low | 246 Ų | 246 | 155.6 Ų | 155.6 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -80.1 | 135.3 | 174.2 | -66.9 | 179 | 173.5 | -174 | -2.2 | 109.4 | ||||
| 366 | A | 39.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 162.4 Ų | 162.4 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -121.7 | 113.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 367 | N | 37.5 | Very low | 38.4 | Very low | 153 Ų | 153 | 166.1 Ų | 166.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -111.7 | 110.8 | -167.1 | -153.4 | 22.6 | 0 | 0 | 0 | 110 | ||||
| 368 | T | 50.3 | Low | 38.8 | Very low | 140 Ų | 140 | 166.2 Ų | 166.2 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | -141.5 | 99.1 | 167.2 | 42.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 369 | D | 42.4 | Very low | 39.1 | Very low | 116 Ų | 116 | 166.8 Ų | 166.8 | 62% | 0.62 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 125.8 | 177.3 | -161.9 | -10.2 | 0 | 0 | 0 | 110.2 | K371 | D369-K371 WeakPolarHBondContact OD1-CE 3.23Å; D369-K371 WeakPolarHBondContact OD1-CG 3.35Å; D369-K371 IonicContact OD1-NZ 2.76Å; D369-K371 PolarHBondContact OD1-NZ 3.47Å; D369-K371 WeakPolarHBondContact OD2-CE 3.1Å; D369-K371 IonicContact OD2-NZ 3.5Å; D369-K371 PolarHBondContact OD2-NZ 3.01Å | ||
| 370 | S | 42.8 | Very low | 39.4 | Very low | 121 Ų | 121 | 163 Ų | 163 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -144.5 | 92.7 | 173.1 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 371 | K | 44.1 | Very low | 39.8 | Very low | 160 Ų | 160 | 168.3 Ų | 168.3 | 70% | 0.696 | 83% | 0.828 | S | S | * | * | trans | -88.1 | 116.4 | -174.8 | -67.9 | 163.6 | -176.6 | 139.2 | 0 | 111.6 | D369 | D369-K371 WeakPolarHBondContact OD1-CE 3.23Å; D369-K371 WeakPolarHBondContact OD1-CG 3.35Å; D369-K371 IonicContact OD1-NZ 2.76Å; D369-K371 PolarHBondContact OD1-NZ 3.47Å; D369-K371 WeakPolarHBondContact OD2-CE 3.1Å; D369-K371 IonicContact OD2-NZ 3.5Å; D369-K371 PolarHBondContact OD2-NZ 3.01Å | ||
| 372 | R | 38.4 | Very low | 40.7 | Very low | 238 Ų | 238 | 165.3 Ų | 165.3 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | 175.2 | 116.6 | 116.3 | -96.6 | 167.4 | 175.6 | -164 | -2.7 | 112.8 | N374 | R372-N374 PolarHBondContact O-N 3.19Š| |||
| 373 | C | 35 | Very low | 41.7 | Very low | 130 Ų | 130 | 164.2 Ų | 164.2 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -69.8 | 126.3 | 166.4 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 374 | N | 36.5 | Very low | 42.1 | Very low | 164 Ų | 164 | 158.5 Ų | 158.5 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -162.8 | 41.7 | 162.7 | -115.4 | -25.7 | 0 | 0 | 0 | 113.2 | R372 | R372-N374 PolarHBondContact O-N 3.19Š| ||
| 375 | H | 41.1 | Very low | 43.2 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -101.5 | 108.8 | 174.5 | -167.8 | 71.6 | 0 | 0 | 0 | 110.8 | R377 | H375-R377 PolarHBondContact O-N 2.86Š| ||
| 376 | R | 35.7 | Very low | 44.4 | Very low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -69.8 | 95 | 175.9 | -69.5 | 179.3 | 172.1 | -168.5 | -2.4 | 110.3 | ||||
| 377 | R | 36.7 | Very low | 45.6 | Very low | 216 Ų | 216 | 151.9 Ų | 151.9 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 136.6 | 163.9 | -89.1 | -179.6 | 176.4 | -119.1 | -2.6 | 110.7 | H375 | H375-R377 PolarHBondContact O-N 2.86Š| ||
| 378 | S | 38.9 | Very low | 47.2 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -67.1 | 132.1 | -174.8 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | H380 | S378-H380 VanDerWaalsContact C-N 3.29Å; S378-H380 PolarHBondContact O-N 3.26Å | ||
| 379 | V | 42.1 | Very low | 48.5 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -83.5 | 76 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 380 | H | 41 | Very low | 50.5 | Low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -146.4 | 38.4 | 178 | -109.1 | 48.9 | 0 | 0 | 0 | 113.4 | S378 | S378-H380 VanDerWaalsContact C-N 3.29Å; S378-H380 PolarHBondContact O-N 3.26Å | ||
| 381 | E | 44.8 | Very low | 52.2 | Low | 190 Ų | 190 | 148.8 Ų | 148.8 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -104.1 | 98.3 | 159.3 | -84.2 | -179.5 | 143.6 | 0 | 0 | 109.3 | P383 | E381-P383 WeakPolarHBondContact O-CD 3.47Š| ||
| 382 | T | 54.4 | Low | 54 | Low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.5 | 160.4 | 35.7 | 0 | 0 | 0 | 0 | 108.3 | N384 | T382-N384 PolarHBondContact O-N 3.21Š|
| 383 | P | 58.3 | Low | 56.1 | Low | 76 Ų | 76 | 140.4 Ų | 140.4 | 49% | 0.494 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 134 | 177.9 | -25.9 | 36.9 | 0 | 0 | 0 | 110.8 | E381 S388 | E381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-S388 VanDerWaalsContact CB-OG 3.28Å; P383-S388 WeakPolarHBondContact CB-OG 3.45Å |
| 384 | N | 50.8 | Low | 58.5 | Low | 70 Ų | 70 | 138.9 Ų | 138.9 | 37% | 0.374 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 124.4 | -179.3 | 179 | -13.9 | 0 | 0 | 0 | 109.7 | T382 E386 K387 S388 | T382-N384 PolarHBondContact O-N 3.21Å; N384-E386 PolarHBondContact O-N 2.94Å; N384-E386 WeakPolarHBondContact OD1-CB 3.29Å; N384-E386 PolarHBondContact OD1-N 3.05Å; N384-K387 HydrophobicContact CB-CB 4.34Å; N384-K387 PolarHBondContact O-N 2.96Å; N384-S388 WeakPolarHBondContact O-CB 3.41Å; N384-S388 PolarHBondContact O-N 3.19Å; N384-S388 VanDerWaalsContact O-N 3.1Å; N384-S388 PolarHBondContact O-OG 2.85Å |
| 385 | P | 61.8 | Low | 60.6 | Low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -30.4 | -179.6 | 25.2 | -35.1 | 0 | 0 | 0 | 113.3 | K387 | P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.35Å |
| 386 | E | 59.8 | Low | 62.6 | Low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -17.3 | 179.8 | -57.6 | 170.4 | 163.2 | 0 | 0 | 113.1 | N384 | N384-E386 PolarHBondContact O-N 2.94Å; N384-E386 WeakPolarHBondContact OD1-CB 3.29Å; N384-E386 PolarHBondContact OD1-N 3.05Å |
| 387 | K | 65.6 | Low | 65 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 78% | 0.778 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -128.1 | 13.6 | -171.8 | -60.6 | -169.1 | 178.3 | -172.7 | 0 | 113.9 | N384 P385 | N384-K387 HydrophobicContact CB-CB 4.34Å; N384-K387 PolarHBondContact O-N 2.96Å; P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.35Å |
| 388 | S | 71.8 | Confident | 67.2 | Low | 30 Ų | 30 | 118.2 Ų | 118.2 | 21% | 0.21 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -142.8 | 118.9 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | P383 N384 R394 | P383-S388 VanDerWaalsContact CB-OG 3.28Å; P383-S388 WeakPolarHBondContact CB-OG 3.45Å; N384-S388 WeakPolarHBondContact O-CB 3.41Å; N384-S388 PolarHBondContact O-N 3.19Å; N384-S388 VanDerWaalsContact O-N 3.1Å; N384-S388 PolarHBondContact O-OG 2.85Å; S388-R394 PolarHBondContact O-NH2 3.27Å; S388-R394 PolarHBondContact OG-NH2 2.85Å |
| 389 | Y | 77.1 | Confident | 69.2 | Low | 145 Ų | 145 | 115.6 Ų | 115.6 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | trans | -45.1 | 142.3 | 178.9 | -65.5 | -72.5 | 0 | 0 | 0 | 112.9 | E393 R394 L397 | Y389-E393 HydrophobicContact CD1-CG 4.2Å; Y389-E393 VanDerWaalsContact CD1-OE2 3.27Å; Y389-E393 WeakPolarHBondContact CD1-OE2 3.22Å; Y389-E393 HydrophobicContact CG-CG 4.34Å; Y389-R394 PolarHBondContact O-NE 2.96Å; Y389-R394 PolarHBondContact O-NH2 3.14Å; Y389-L397 HydrophobicContact CD2-CD1 4.17Å; Y389-L397 HydrophobicContact CE2-CD1 4.33Å | ||
| 390 | P | 83.2 | Confident | 71 | Confident | 66 Ų | 66 | 111.7 Ų | 111.7 | 43% | 0.429 | 57% | 0.566 | S | S | . | * | trans | -42 | 150.1 | 171.5 | -33.5 | 36.6 | 0 | 0 | 0 | 114.5 | W392 E393 R394 | P390-W392 HydrophobicContact CB-CG 4.39Å; P390-W392 PolarHBondContact O-N 3.18Å; P390-W392 VanDerWaalsContact O-N 3.13Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 WeakPolarHBondContact CD-OE2 3.2Å; P390-E393 WeakPolarHBondContact O-CB 3.31Å; P390-E393 PolarHBondContact O-N 3.1Å; P390-R394 PolarHBondContact O-N 3.13Å | ||
| 391 | R | 78.4 | Confident | 72.8 | Confident | 224 Ų | 224 | 110.5 Ų | 110.5 | 85% | 0.845 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56.2 | -35.1 | -174.2 | -176.4 | -179.3 | 175 | -155.7 | -2.4 | 113.2 | A395 | R391-A395 PolarHBondContact O-N 3.15Å |
| 392 | W | 82.9 | Confident | 74.5 | Confident | 164 Ų | 164 | 109.2 Ų | 109.2 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.5 | -34.6 | 177.7 | 65.8 | -99.3 | 0 | 0 | 0 | 112.2 | P390 A395 K396 | P390-W392 HydrophobicContact CB-CG 4.39Å; P390-W392 PolarHBondContact O-N 3.18Å; P390-W392 VanDerWaalsContact O-N 3.13Å; W392-A395 WeakPolarHBondContact O-CB 2.81Å; W392-A395 PolarHBondContact O-N 2.73Å; W392-K396 HydrophobicContact CZ3-CD 4.42Å; W392-K396 PolarHBondContact O-N 2.91Å |
| 393 | E | 82.3 | Confident | 75.5 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 27% | 0.266 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.4 | -39.6 | -177.7 | -171.9 | 161.1 | -132.8 | 0 | 0 | 111.6 | Y389 P390 A395 K396 L397 | Y389-E393 HydrophobicContact CD1-CG 4.2Å; Y389-E393 VanDerWaalsContact CD1-OE2 3.27Å; Y389-E393 WeakPolarHBondContact CD1-OE2 3.22Å; Y389-E393 HydrophobicContact CG-CG 4.34Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 WeakPolarHBondContact CD-OE2 3.2Å; P390-E393 WeakPolarHBondContact O-CB 3.31Å; P390-E393 PolarHBondContact O-N 3.1Å; E393-A395 PolarHBondContact O-N 3.22Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.13Å; E393-L397 WeakPolarHBondContact O-CG 3.28Å; E393-L397 PolarHBondContact O-N 3.05Å |
| 394 | R | 85.4 | Confident | 76.2 | Confident | 99 Ų | 99 | 110.8 Ų | 110.8 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.4 | -38.8 | 164 | -89.4 | -179.3 | -85.3 | -156.5 | -15.2 | 112.4 | S388 Y389 P390 A398 | S388-R394 PolarHBondContact O-NH2 3.27Å; S388-R394 PolarHBondContact OG-NH2 2.85Å; Y389-R394 PolarHBondContact O-NE 2.96Å; Y389-R394 PolarHBondContact O-NH2 3.14Å; P390-R394 PolarHBondContact O-N 3.13Å; R394-A398 VanDerWaalsContact O-CB 3.31Å; R394-A398 WeakPolarHBondContact O-CB 3.44Å; R394-A398 PolarHBondContact O-N 2.91Å |
| 395 | A | 81 | Confident | 76.9 | Confident | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.7 | -36.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R391 W392 E393 A399 | R391-A395 PolarHBondContact O-N 3.15Å; W392-A395 WeakPolarHBondContact O-CB 2.81Å; W392-A395 PolarHBondContact O-N 2.73Å; E393-A395 PolarHBondContact O-N 3.22Å; A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.23Å |
| 396 | K | 83.7 | Confident | 77 | Confident | 146 Ų | 146 | 116.3 Ų | 116.3 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -47.7 | 174.1 | -173.1 | -178.8 | 178.1 | -175.1 | 0 | 111.5 | W392 E393 A399 A400 | W392-K396 HydrophobicContact CZ3-CD 4.42Å; W392-K396 PolarHBondContact O-N 2.91Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.13Å; K396-A399 PolarHBondContact O-N 3.44Å; K396-A400 PolarHBondContact O-N 3.34Å |
| 397 | L | 84.3 | Confident | 76.5 | Confident | 98 Ų | 98 | 113.3 Ų | 113.3 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -48.7 | 176.3 | -68.6 | 170.7 | 0 | 0 | 0 | 111.7 | Y389 E393 A399 A400 E401 | Y389-L397 HydrophobicContact CD2-CD1 4.17Å; Y389-L397 HydrophobicContact CE2-CD1 4.33Å; E393-L397 WeakPolarHBondContact O-CG 3.28Å; E393-L397 PolarHBondContact O-N 3.05Å; L397-A399 PolarHBondContact O-N 2.99Å; L397-A400 PolarHBondContact O-N 3.37Å; L397-E401 WeakPolarHBondContact O-CB 3.12Å; L397-E401 PolarHBondContact O-N 2.78Å |
| 398 | A | 82.7 | Confident | 75.8 | Confident | 41 Ų | 41 | 109.6 Ų | 109.6 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -12.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | R394 K402 | R394-A398 VanDerWaalsContact O-CB 3.31Å; R394-A398 WeakPolarHBondContact O-CB 3.44Å; R394-A398 PolarHBondContact O-N 2.91Å; A398-K402 WeakPolarHBondContact O-CD 3.18Å; A398-K402 WeakPolarHBondContact O-CG 3.4Å |
| 399 | A | 81.9 | Confident | 74.6 | Confident | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -84.7 | -47.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | A395 K396 L397 E401 K402 T403 | A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.23Å; K396-A399 PolarHBondContact O-N 3.44Å; L397-A399 PolarHBondContact O-N 2.99Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.65Å; A399-K402 PolarHBondContact O-N 3.12Å; A399-T403 PolarHBondContact O-N 2.81Å |
| 400 | A | 80.9 | Confident | 73.4 | Confident | 57 Ų | 57 | 113.5 Ų | 113.5 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.9 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | K396 L397 K402 T403 K404 | K396-A400 PolarHBondContact O-N 3.34Å; L397-A400 PolarHBondContact O-N 3.37Å; A400-K402 PolarHBondContact O-N 3.35Å; A400-T403 PolarHBondContact O-N 3.22Å; A400-T403 PolarHBondContact O-OG1 2.78Å; A400-K404 PolarHBondContact O-N 3.46Å |
| 401 | E | 77.9 | Confident | 71.9 | Confident | 150 Ų | 150 | 116.5 Ų | 116.5 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.9 | -35 | 173.9 | -173.7 | 177.6 | -151.4 | 0 | 0 | 112.3 | L397 A399 | L397-E401 WeakPolarHBondContact O-CB 3.12Å; L397-E401 PolarHBondContact O-N 2.78Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.65Å |
| 402 | K | 79.7 | Confident | 70 | Confident | 162 Ų | 162 | 115.1 Ų | 115.1 | 70% | 0.704 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.3 | -18.1 | 179.4 | -71.6 | 177.5 | -177 | 178.7 | 0 | 114.4 | A398 A399 A400 | A398-K402 WeakPolarHBondContact O-CD 3.18Å; A398-K402 WeakPolarHBondContact O-CG 3.4Å; A399-K402 PolarHBondContact O-N 3.12Å; A400-K402 PolarHBondContact O-N 3.35Å |
| 403 | T | 76 | Confident | 67.9 | Low | 69 Ų | 69 | 111.9 Ų | 111.9 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -99.2 | -16.6 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | A399 A400 N405 K406 I408 | A399-T403 PolarHBondContact O-N 2.81Å; A400-T403 PolarHBondContact O-N 3.22Å; A400-T403 PolarHBondContact O-OG1 2.78Å; T403-N405 PolarHBondContact O-N 2.92Å; T403-K406 PolarHBondContact O-N 2.89Å; T403-I408 HydrophobicContact CG2-CD1 3.85Å |
| 404 | K | 72.4 | Confident | 65.9 | Low | 173 Ų | 173 | 115 Ų | 115 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | -32.1 | -176 | -168.2 | 174.3 | -179.4 | 179.9 | 0 | 115.2 | A400 | A400-K404 PolarHBondContact O-N 3.46Š|
| 405 | N | 66.1 | Low | 64 | Low | 152 Ų | 152 | 118.4 Ų | 118.4 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 24.6 | -179.6 | -61.2 | 12.6 | 0 | 0 | 0 | 112.9 | T403 | T403-N405 PolarHBondContact O-N 2.92Š|
| 406 | K | 64.9 | Low | 62.4 | Low | 150 Ų | 150 | 124.5 Ų | 124.5 | 65% | 0.652 | 67% | 0.667 | S | S | * | * | trans | -132.8 | 115.2 | 177.7 | -67.7 | -167.5 | 175.6 | -165.9 | 0 | 110.9 | T403 I408 | T403-K406 PolarHBondContact O-N 2.89Å; K406-I408 HydrophobicContact CB-CG1 4.16Å; K406-I408 PolarHBondContact O-N 2.81Å | ||
| 407 | A | 48 | Very low | 60.4 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 87% | 0.868 | 67% | 0.673 | S | S | * | * | trans | -69.6 | 78.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | I409 | A407-I409 PolarHBondContact O-N 2.96Š| ||
| 408 | I | 50.6 | Low | 58.4 | Low | 102 Ų | 102 | 123.7 Ų | 123.7 | 52% | 0.523 | 68% | 0.683 | S | S | . | * | trans | -77 | 102.1 | 168.6 | -57 | 177.6 | 0 | 0 | 0 | 106.2 | T403 K406 V410 | T403-I408 HydrophobicContact CG2-CD1 3.85Å; K406-I408 HydrophobicContact CB-CG1 4.16Å; K406-I408 PolarHBondContact O-N 2.81Å; I408-V410 HydrophobicContact CG2-CG2 3.86Å; I408-V410 PolarHBondContact O-N 3.21Å; I408-V410 VanDerWaalsContact O-N 3.09Å | ||
| 409 | I | 46.6 | Very low | 56.4 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -64.2 | 108.8 | 164 | -59.8 | 174.8 | 0 | 0 | 0 | 105.9 | A407 D411 | A407-I409 PolarHBondContact O-N 2.96Å; I409-D411 PolarHBondContact O-N 2.96Å | ||
| 410 | V | 53.6 | Low | 54.7 | Low | 114 Ų | 114 | 131.8 Ų | 131.8 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -93.3 | 91.3 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | I408 E412 | I408-V410 HydrophobicContact CG2-CG2 3.86Å; I408-V410 PolarHBondContact O-N 3.21Å; I408-V410 VanDerWaalsContact O-N 3.09Å; V410-E412 PolarHBondContact O-N 2.85Å | ||
| 411 | D | 49.8 | Very low | 53.4 | Low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | trans | -57.7 | 126.3 | 163.6 | -66.2 | -34.8 | 0 | 0 | 0 | 108 | I409 S413 | I409-D411 PolarHBondContact O-N 2.96Å; D411-S413 VanDerWaalsContact C-N 3.26Å; D411-S413 PolarHBondContact O-N 3.36Å; D411-S413 PolarHBondContact O-OG 3.48Å | ||
| 412 | E | 38.7 | Very low | 52.1 | Low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -68.8 | 80 | -173.3 | -69.2 | -164 | 126.4 | 0 | 0 | 112.1 | V410 | V410-E412 PolarHBondContact O-N 2.85Š| ||
| 413 | S | 39.1 | Very low | 51.4 | Low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 129.8 | 172.9 | -64.3 | 0 | 0 | 0 | 0 | 110 | D411 I415 | D411-S413 VanDerWaalsContact C-N 3.26Å; D411-S413 PolarHBondContact O-N 3.36Å; D411-S413 PolarHBondContact O-OG 3.48Å; S413-I415 PolarHBondContact O-N 2.88Å |
| 414 | P | 41.6 | Very low | 51.1 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136.5 | -177.2 | 21.3 | -32.2 | 0 | 0 | 0 | 112.2 | K416 | P414-K416 PolarHBondContact O-N 2.85Š|
| 415 | I | 43.8 | Very low | 51 | Low | 169 Ų | 169 | 125 Ų | 125 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.4 | -165.3 | -63.4 | 170.5 | 0 | 0 | 0 | 111.3 | S413 | S413-I415 PolarHBondContact O-N 2.88Š|
| 416 | K | 48.4 | Very low | 51 | Low | 187 Ų | 187 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.3 | 176.5 | -72.3 | 170.1 | -179.8 | 162.2 | 0 | 111.1 | P414 | P414-K416 PolarHBondContact O-N 2.85Š|
| 417 | P | 42.5 | Very low | 51.2 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 150.8 | 174.1 | 30 | -35.5 | 0 | 0 | 0 | 111.5 | ||
| 418 | P | 40.9 | Very low | 52.3 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.9 | 164.2 | 178.7 | 32.6 | -36.2 | 0 | 0 | 0 | 113 | ||
| 419 | L | 42 | Very low | 53.4 | Low | 170 Ų | 170 | 127.6 Ų | 127.6 | 89% | 0.89 | 68% | 0.679 | S | S | * | * | trans | 68.2 | 50.1 | 155.5 | -64.4 | 157.3 | 0 | 0 | 0 | 119.5 | ||||
| 420 | T | 46.1 | Very low | 54.5 | Low | 95 Ų | 95 | 129 Ų | 129 | 58% | 0.583 | 68% | 0.675 | S | S | * | * | trans | -137.5 | 122.4 | 144.9 | 62.6 | 0 | 0 | 0 | 0 | 113 | V422 | T420-V422 PolarHBondContact O-N 3.13Š| ||
| 421 | T | 52.1 | Low | 55.2 | Low | 154 Ų | 154 | 125.4 Ų | 125.4 | 95% | 0.945 | 66% | 0.658 | S | S | * | * | trans | -77.4 | 23.9 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 422 | V | 51 | Low | 56.2 | Low | 48 Ų | 48 | 123.4 Ų | 123.4 | 29% | 0.291 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -134.3 | 120.7 | -171.7 | 180 | 0 | 0 | 0 | 0 | 108.6 | T420 R426 R427 | T420-V422 PolarHBondContact O-N 3.13Å; V422-R426 HydrophobicContact CG1-CB 3.89Å; V422-R426 HydrophobicContact CG1-CG 4.27Å; V422-R427 HydrophobicContact CG1-CG 4.3Å |
| 423 | S | 65.2 | Low | 57.8 | Low | 69 Ų | 69 | 117.9 Ų | 117.9 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | trans | -60.7 | 144.8 | -177.5 | 61.6 | 0 | 0 | 0 | 0 | 112 | L425 R426 R427 | S423-L425 PolarHBondContact O-N 3.17Å; S423-L425 VanDerWaalsContact O-N 3.15Å; S423-R426 WeakPolarHBondContact O-CA 3.48Å; S423-R426 WeakPolarHBondContact O-CB 3.38Å; S423-R426 PolarHBondContact O-N 3.17Å; S423-R427 PolarHBondContact O-N 3.4Å | ||
| 424 | P | 69.2 | Low | 59.1 | Low | 95 Ų | 95 | 119 Ų | 119 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -53.2 | -38.5 | -179.7 | -29 | 35.8 | 0 | 0 | 0 | 113.1 | R426 R427 L428 | P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.38Å; P424-R427 WeakPolarHBondContact O-CA 3.41Å; P424-R427 WeakPolarHBondContact O-CB 3.32Å; P424-R427 PolarHBondContact O-N 3.37Å; P424-L428 PolarHBondContact O-N 2.79Å |
| 425 | L | 71.3 | Confident | 60.4 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.8 | -33.5 | 175.9 | -146.3 | 75.3 | 0 | 0 | 0 | 113.1 | S423 R429 | S423-L425 PolarHBondContact O-N 3.17Å; S423-L425 VanDerWaalsContact O-N 3.15Å; L425-R429 WeakPolarHBondContact O-CG 3.36Å; L425-R429 PolarHBondContact O-N 3.33Å |
| 426 | R | 66.8 | Low | 61.5 | Low | 132 Ų | 132 | 115.2 Ų | 115.2 | 50% | 0.498 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.6 | -26.6 | 176.4 | -155.7 | 177.6 | -161.1 | 177 | 5.3 | 111.7 | V422 S423 P424 R430 | V422-R426 HydrophobicContact CG1-CB 3.89Å; V422-R426 HydrophobicContact CG1-CG 4.27Å; S423-R426 WeakPolarHBondContact O-CA 3.48Å; S423-R426 WeakPolarHBondContact O-CB 3.38Å; S423-R426 PolarHBondContact O-N 3.17Å; P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.38Å; R426-R430 WeakPolarHBondContact O-CG 3.5Å; R426-R430 PolarHBondContact O-N 2.98Å |
| 427 | R | 67.2 | Low | 62.2 | Low | 148 Ų | 148 | 109.1 Ų | 109.1 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.4 | -48.8 | 167.5 | -50.7 | -164.2 | -49.1 | -156.5 | 8.9 | 110.8 | V422 S423 P424 R429 R430 A431 | V422-R427 HydrophobicContact CG1-CG 4.3Å; S423-R427 PolarHBondContact O-N 3.4Å; P424-R427 WeakPolarHBondContact O-CA 3.41Å; P424-R427 WeakPolarHBondContact O-CB 3.32Å; P424-R427 PolarHBondContact O-N 3.37Å; R427-R429 PolarHBondContact O-N 3.26Å; R427-R430 WeakPolarHBondContact O-CB 3.43Å; R427-R430 PolarHBondContact O-N 3.3Å; R427-A431 PolarHBondContact O-N 2.72Å |
| 428 | L | 72.8 | Confident | 63.2 | Low | 102 Ų | 102 | 108.6 Ų | 108.6 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.4 | -45 | -179.7 | -169.6 | 68.5 | 0 | 0 | 0 | 112 | P424 R430 A431 N432 | P424-L428 PolarHBondContact O-N 2.79Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.03Å; L428-A431 PolarHBondContact O-N 3.28Å; L428-N432 PolarHBondContact O-N 3.16Å |
| 429 | R | 73.1 | Confident | 64.3 | Low | 183 Ų | 183 | 108.3 Ų | 108.3 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -34.8 | 174.1 | -71.9 | 176.5 | -172.5 | 173.8 | 3.6 | 113.2 | L425 R427 S433 | L425-R429 WeakPolarHBondContact O-CG 3.36Å; L425-R429 PolarHBondContact O-N 3.33Å; R427-R429 PolarHBondContact O-N 3.26Å; R429-S433 WeakPolarHBondContact O-CB 3.39Å; R429-S433 PolarHBondContact O-N 3.3Å; R429-S433 VanDerWaalsContact O-N 3.16Å |
| 430 | R | 69.9 | Low | 65.4 | Low | 171 Ų | 171 | 107.7 Ų | 107.7 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.9 | -42.8 | 173.4 | -79 | -177.3 | 174.5 | -173.3 | -1.1 | 112 | R426 R427 L428 S433 M434 | R426-R430 WeakPolarHBondContact O-CG 3.5Å; R426-R430 PolarHBondContact O-N 2.98Å; R427-R430 WeakPolarHBondContact O-CB 3.43Å; R427-R430 PolarHBondContact O-N 3.3Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.03Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 2.93Å; R430-M434 WeakPolarHBondContact O-CG 3.37Å; R430-M434 PolarHBondContact O-N 3.15Å |
| 431 | A | 68.5 | Low | 66.4 | Low | 40 Ų | 40 | 107.5 Ų | 107.5 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R427 L428 S433 M434 L435 | R427-A431 PolarHBondContact O-N 2.72Å; L428-A431 PolarHBondContact O-N 3.28Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.31Å; A431-M434 PolarHBondContact O-N 2.99Å; A431-L435 PolarHBondContact O-N 3.19Å |
| 432 | N | 71 | Confident | 66.8 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 177.7 | -68.7 | 7.1 | 0 | 0 | 0 | 112.3 | L428 M434 L435 N436 | L428-N432 PolarHBondContact O-N 3.16Å; N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 3.43Å; N432-L435 PolarHBondContact O-N 3.21Å; N432-N436 PolarHBondContact O-N 2.84Å |
| 433 | S | 71.3 | Confident | 67.4 | Low | 79 Ų | 79 | 107 Ų | 107 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -32.2 | 173.5 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | R429 R430 A431 S437 | R429-S433 WeakPolarHBondContact O-CB 3.39Å; R429-S433 PolarHBondContact O-N 3.3Å; R429-S433 VanDerWaalsContact O-N 3.16Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 2.93Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.31Å; S433-S437 PolarHBondContact O-N 3.12Å; S433-S437 PolarHBondContact O-OG 3.21Å |
| 434 | M | 66.5 | Low | 67.3 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.2 | -38.9 | 176 | -67.1 | -172.3 | -55.3 | 0 | 0 | 111.9 | R430 A431 N432 N436 S437 L438 | R430-M434 WeakPolarHBondContact O-CG 3.37Å; R430-M434 PolarHBondContact O-N 3.15Å; A431-M434 PolarHBondContact O-N 2.99Å; N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 3.43Å; M434-N436 PolarHBondContact O-N 3.41Å; M434-S437 WeakPolarHBondContact CA-OG 3.31Å; M434-S437 PolarHBondContact O-N 2.91Å; M434-S437 PolarHBondContact O-OG 3.41Å; M434-L438 WeakPolarHBondContact O-CG 3.44Å; M434-L438 PolarHBondContact O-N 2.97Å |
| 435 | L | 69.6 | Low | 66.9 | Low | 100 Ų | 100 | 109 Ų | 109 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 173.4 | -71.2 | 170.6 | 0 | 0 | 0 | 111.5 | A431 N432 S437 L438 L439 | A431-L435 PolarHBondContact O-N 3.19Å; N432-L435 PolarHBondContact O-N 3.21Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.41Å; L435-L438 PolarHBondContact O-N 3.22Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L435-L439 PolarHBondContact O-N 3.26Å |
| 436 | N | 66.5 | Low | 66.4 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 60% | 0.599 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -34.7 | 176.5 | -72.9 | 1.7 | 0 | 0 | 0 | 113 | N432 M434 Y440 | N432-N436 PolarHBondContact O-N 2.84Å; M434-N436 PolarHBondContact O-N 3.41Å; N436-Y440 PolarHBondContact O-N 2.95Å |
| 437 | S | 63.7 | Low | 66 | Low | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 173.9 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | S433 M434 L435 Y440 I441 | S433-S437 PolarHBondContact O-N 3.12Å; S433-S437 PolarHBondContact O-OG 3.21Å; M434-S437 WeakPolarHBondContact CA-OG 3.31Å; M434-S437 PolarHBondContact O-N 2.91Å; M434-S437 PolarHBondContact O-OG 3.41Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.41Å; S437-Y440 PolarHBondContact O-N 3.41Å; S437-I441 WeakPolarHBondContact O-CD1 3.27Å; S437-I441 VanDerWaalsContact O-CG1 3.31Å; S437-I441 WeakPolarHBondContact O-CG1 3.44Å; S437-I441 PolarHBondContact O-N 3.44Å; S437-I441 VanDerWaalsContact O-N 3.16Å |
| 438 | L | 62.4 | Low | 65.5 | Low | 106 Ų | 106 | 100.7 Ų | 100.7 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -45.5 | 176.2 | -73.7 | 166.3 | 0 | 0 | 0 | 111.2 | M434 L435 Y440 I441 E442 | M434-L438 WeakPolarHBondContact O-CG 3.44Å; M434-L438 PolarHBondContact O-N 2.97Å; L435-L438 PolarHBondContact O-N 3.22Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L438-Y440 VanDerWaalsContact C-N 3.25Å; L438-Y440 PolarHBondContact O-N 3.44Å; L438-I441 PolarHBondContact O-N 2.9Å; L438-I441 VanDerWaalsContact O-N 3.1Å; L438-E442 WeakPolarHBondContact O-CB 3.41Å; L438-E442 PolarHBondContact O-N 3.42Å |
| 439 | L | 64.9 | Low | 64.7 | Low | 103 Ų | 103 | 99.9 Ų | 99.9 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.1 | -36.5 | 173.7 | -84.7 | 160.9 | 0 | 0 | 0 | 113 | L435 A443 | L435-L439 PolarHBondContact O-N 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.44Å; L439-A443 PolarHBondContact O-N 3.34Å; L439-A443 VanDerWaalsContact O-N 3.09Å |
| 440 | Y | 63.8 | Low | 63.7 | Low | 158 Ų | 158 | 95.3 Ų | 95.3 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | 176.2 | -172.5 | -95.3 | 0 | 0 | 0 | 112.7 | N436 S437 L438 Q444 | N436-Y440 PolarHBondContact O-N 2.95Å; S437-Y440 PolarHBondContact O-N 3.41Å; L438-Y440 VanDerWaalsContact C-N 3.25Å; L438-Y440 PolarHBondContact O-N 3.44Å; Y440-Q444 WeakPolarHBondContact O-CB 3.36Å; Y440-Q444 PolarHBondContact O-N 3.45Å |
| 441 | I | 68.1 | Low | 62.7 | Low | 91 Ų | 91 | 90.2 Ų | 90.2 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 175.4 | -67.3 | 163.5 | 0 | 0 | 0 | 110.2 | S437 L438 A443 Q444 E445 | S437-I441 WeakPolarHBondContact O-CD1 3.27Å; S437-I441 VanDerWaalsContact O-CG1 3.31Å; S437-I441 WeakPolarHBondContact O-CG1 3.44Å; S437-I441 PolarHBondContact O-N 3.44Å; S437-I441 VanDerWaalsContact O-N 3.16Å; L438-I441 PolarHBondContact O-N 2.9Å; L438-I441 VanDerWaalsContact O-N 3.1Å; I441-A443 PolarHBondContact O-N 2.95Å; I441-Q444 CarbonylContact O-C 3.51Å; I441-Q444 PolarHBondContact O-N 3.06Å; I441-E445 WeakPolarHBondContact O-CB 3.42Å; I441-E445 PolarHBondContact O-N 3.17Å |
| 442 | E | 60.2 | Low | 61.7 | Low | 124 Ų | 124 | 95.3 Ų | 95.3 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.8 | -45.5 | 178.6 | -176.8 | 168.8 | -144.9 | 0 | 0 | 112 | L438 Q444 E445 A446 | L438-E442 WeakPolarHBondContact O-CB 3.41Å; L438-E442 PolarHBondContact O-N 3.42Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.42Å; E442-E445 PolarHBondContact O-N 3.01Å; E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.49Å |
| 443 | A | 63.2 | Low | 60.6 | Low | 66 Ų | 66 | 96 Ų | 96 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -33.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L439 I441 A447 | L439-A443 WeakPolarHBondContact O-CB 3.44Å; L439-A443 PolarHBondContact O-N 3.34Å; L439-A443 VanDerWaalsContact O-N 3.09Å; I441-A443 PolarHBondContact O-N 2.95Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.11Å |
| 444 | Q | 64 | Low | 59.4 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -79.5 | -32.7 | 179.7 | -168.6 | 168.1 | 91.4 | 0 | 0 | 112.5 | Y440 I441 E442 N448 | Y440-Q444 WeakPolarHBondContact O-CB 3.36Å; Y440-Q444 PolarHBondContact O-N 3.45Å; I441-Q444 CarbonylContact O-C 3.51Å; I441-Q444 PolarHBondContact O-N 3.06Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.42Å; Q444-N448 PolarHBondContact O-N 3.17Å; Q444-N448 VanDerWaalsContact O-N 3.08Å; Q444-N448 PolarHBondContact O-ND2 3.1Å |
| 445 | E | 61 | Low | 57.9 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72 | -43.9 | 175 | -169.3 | 163.9 | -149.2 | 0 | 0 | 111 | I441 E442 A447 N448 I449 | I441-E445 WeakPolarHBondContact O-CB 3.42Å; I441-E445 PolarHBondContact O-N 3.17Å; E442-E445 PolarHBondContact O-N 3.01Å; E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 3.41Å; E445-N448 PolarHBondContact O-N 3.28Å; E445-N448 VanDerWaalsContact O-N 3.17Å; E445-I449 HydrophobicContact CG-CD1 4.31Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 2.99Å |
| 446 | A | 60.1 | Low | 56.2 | Low | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.4 | -44.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E442 N448 I449 T450 | E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.49Å; A446-N448 VanDerWaalsContact C-N 3.35Å; A446-N448 PolarHBondContact O-N 3.05Å; A446-I449 PolarHBondContact O-N 3.24Å; A446-T450 PolarHBondContact O-N 3.24Å; A446-T450 VanDerWaalsContact O-N 3.1Å; A446-T450 PolarHBondContact O-OG1 3.33Å; A446-T450 VanDerWaalsContact O-OG1 3.06Å |
| 447 | A | 58.7 | Low | 54.4 | Low | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A443 E445 A451 | A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.11Å; E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 3.41Å; A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 2.9Å |
| 448 | N | 55.6 | Low | 52.8 | Low | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.8 | -38.3 | 176.6 | -79.9 | -29.2 | 0 | 0 | 0 | 112.7 | Q444 E445 A446 A451 Q452 | Q444-N448 PolarHBondContact O-N 3.17Å; Q444-N448 VanDerWaalsContact O-N 3.08Å; Q444-N448 PolarHBondContact O-ND2 3.1Å; E445-N448 PolarHBondContact O-N 3.28Å; E445-N448 VanDerWaalsContact O-N 3.17Å; A446-N448 VanDerWaalsContact C-N 3.35Å; A446-N448 PolarHBondContact O-N 3.05Å; N448-A451 PolarHBondContact O-N 3.2Å; N448-Q452 WeakPolarHBondContact O-CG 3.42Å; N448-Q452 PolarHBondContact O-N 3.21Å |
| 449 | I | 55.6 | Low | 51.2 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 44% | 0.436 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.4 | -48.4 | 175.6 | -67.9 | 163.9 | 0 | 0 | 0 | 109.9 | E445 A446 A451 Q452 T453 | E445-I449 HydrophobicContact CG-CD1 4.31Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 2.99Å; A446-I449 PolarHBondContact O-N 3.24Å; I449-A451 PolarHBondContact O-N 3.47Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.11Å; I449-T453 PolarHBondContact O-N 2.99Å; I449-T453 PolarHBondContact O-OG1 2.98Å |
| 450 | T | 53.4 | Low | 49.7 | Very low | 87 Ų | 87 | 99.3 Ų | 99.3 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.9 | -29.9 | 176.1 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | A446 T453 H454 | A446-T450 PolarHBondContact O-N 3.24Å; A446-T450 VanDerWaalsContact O-N 3.1Å; A446-T450 PolarHBondContact O-OG1 3.33Å; A446-T450 VanDerWaalsContact O-OG1 3.06Å; T450-T453 PolarHBondContact O-OG1 2.99Å; T450-H454 PolarHBondContact O-CD2 3.32Å |
| 451 | A | 49.3 | Very low | 48.4 | Very low | 64 Ų | 64 | 97.7 Ų | 97.7 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.2 | -31.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A447 N448 I449 | A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 2.9Å; N448-A451 PolarHBondContact O-N 3.2Å; I449-A451 PolarHBondContact O-N 3.47Å |
| 452 | Q | 46.9 | Very low | 46.8 | Very low | 147 Ų | 147 | 98.1 Ų | 98.1 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.1 | -30.1 | 179 | -74.6 | -178.3 | -4.1 | 0 | 0 | 113.2 | N448 I449 H454 S455 | N448-Q452 WeakPolarHBondContact O-CG 3.42Å; N448-Q452 PolarHBondContact O-N 3.21Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.11Å; Q452-H454 PolarHBondContact O-N 3.49Å; Q452-S455 PolarHBondContact O-N 2.76Å |
| 453 | T | 47.1 | Very low | 45.5 | Very low | 101 Ų | 101 | 100.3 Ų | 100.3 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 0.8 | 178.5 | 44.6 | 0 | 0 | 0 | 0 | 115.2 | I449 T450 | I449-T453 PolarHBondContact O-N 2.99Å; I449-T453 PolarHBondContact O-OG1 2.98Å; T450-T453 PolarHBondContact O-OG1 2.99Å |
| 454 | H | 45.9 | Very low | 44 | Very low | 160 Ų | 160 | 104.8 Ų | 104.8 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 9.3 | 179.1 | -66.9 | -52 | 0 | 0 | 0 | 114.6 | T450 Q452 | T450-H454 PolarHBondContact O-CD2 3.32Å; Q452-H454 PolarHBondContact O-N 3.49Å |
| 455 | S | 36.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -145.1 | 70.6 | -177.9 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | Q452 | Q452-S455 PolarHBondContact O-N 2.76Š|
| 456 | G | 32.8 | Very low | 40.9 | Very low | 80 Ų | 80 | 107 Ų | 107 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | 158.1 | 101.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 457 | G | 29.7 | Very low | 39.3 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 91% | 0.907 | 71% | 0.707 | S | S | * | * | trans | -95.4 | 152.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 458 | G | 28.7 | Very low | 38 | Very low | 88 Ų | 88 | 111.6 Ų | 111.6 | 91% | 0.907 | 72% | 0.72 | S | S | * | * | trans | 135.2 | 100.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 459 | G | 29.4 | Very low | 37 | Very low | 81 Ų | 81 | 112 Ų | 112 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | 109.2 | 84.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 460 | L | 33.3 | Very low | 36 | Very low | 155 Ų | 155 | 115.7 Ų | 115.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | -123.8 | 152.8 | 155.4 | -87.8 | 169.1 | 0 | 0 | 0 | 107.5 | ||||
| 461 | P | 36.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | -126 | 114.3 | 101.5 | 34.5 | -29.5 | 0 | 0 | 0 | 114.1 | |||||
| 462 | T | 34.1 | Very low | 34.6 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | 41 | 101.6 | 114 | -41.4 | 0 | 0 | 0 | 0 | 118.4 | L464 | T462-L464 HydrophobicContact CG2-CB 4.48Š| |||
| 463 | L | 32.7 | Very low | 33.9 | Very low | 170 Ų | 170 | 119.6 Ų | 119.6 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -65 | 134.2 | 142.2 | -66.2 | 166.3 | 0 | 0 | 0 | 108.8 | ||||
| 464 | L | 31.7 | Very low | 33.4 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -170.5 | 147.9 | 146.1 | -107.6 | 161 | 0 | 0 | 0 | 112.9 | T462 | T462-L464 HydrophobicContact CG2-CB 4.48Š| ||
| 465 | S | 29.1 | Very low | 33 | Very low | 92 Ų | 92 | 118.2 Ų | 118.2 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -66.8 | 156.2 | -179.2 | -39.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 466 | N | 31.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | -177.4 | 170.7 | 109.6 | -91.9 | -16.2 | 0 | 0 | 0 | 114.7 | |||||
| 467 | S | 28.1 | Very low | 33.7 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -92.4 | 167 | -165 | -46.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 468 | S | 29.6 | Very low | 34.1 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 75.5 | 142 | 142.2 | 50.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 469 | S | 34.7 | Very low | 34.6 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 63.5 | 105.1 | 154.7 | 50.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 470 | L | 35.4 | Very low | 35.1 | Very low | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | 45.1 | 158.8 | 103.3 | -66.8 | 179.7 | 0 | 0 | 0 | 120.6 | |||||
| 471 | P | 39.1 | Very low | 35.3 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | cis | -138.4 | -157.1 | -12.8 | 27.5 | -1.2 | 0 | 0 | 0 | 113.6 | ||||
| 472 | L | 33.4 | Very low | 35.2 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | 87.5 | 107.3 | 159.8 | -55.8 | 164.2 | 0 | 0 | 0 | 116.4 | ||||
| 473 | N | 32 | Very low | 35 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 86 | 143.8 | 95.7 | -70.5 | 21.9 | 0 | 0 | 0 | 112 | |||||
| 474 | S | 38.2 | Very low | 34.9 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | cis | -149.1 | 139.6 | 19.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 475 | D | 37.3 | Very low | 34.8 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 63 | 159.3 | 131.1 | -45.4 | -21.1 | 0 | 0 | 0 | 123.3 | ||||
| 476 | D | 44.1 | Very low | 35 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | 67.3 | 82.8 | 164.3 | -60.3 | -11.5 | 0 | 0 | 0 | 120.9 | ||||
| 477 | D | 38.4 | Very low | 35 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | 10.6 | 117.7 | 120.5 | -60.5 | -17.4 | 0 | 0 | 0 | 118 | |||||
| 478 | N | 38.9 | Very low | 35.3 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | -154.1 | 151.8 | 116.1 | -147.7 | -6.6 | 0 | 0 | 0 | 112 | |||||
| 479 | E | 38.6 | Very low | 35.3 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -84.2 | 178.9 | 173.4 | -97.5 | -73.6 | -172.2 | 0 | 0 | 112.1 | ||||
| 480 | D | 40.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | 85.6 | 139 | 148.6 | -113.4 | -29.1 | 0 | 0 | 0 | 120.9 | ||||
| 481 | N | 38.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | 67.7 | 81.3 | 157.3 | -67.2 | -60.5 | 0 | 0 | 0 | 122.2 | ||||
| 482 | N | 33.7 | Very low | 34.4 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 56.7 | 128.2 | 110.2 | -81.5 | -59.8 | 0 | 0 | 0 | 121.6 | |||||
| 483 | R | 28.8 | Very low | 34.1 | Very low | 229 Ų | 229 | 150.6 Ų | 150.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 55.6 | 110.2 | 149 | -70.2 | 176.1 | 143.2 | -146 | -2.4 | 117.6 | ||||
| 484 | L | 32.2 | Very low | 34.1 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | -153.9 | 118.6 | 126.7 | -107.9 | 157.7 | 0 | 0 | 0 | 112 | |||||
| 485 | T | 29.7 | Very low | 33.6 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 11.6 | 125.7 | 154 | 54.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 486 | R | 33.3 | Very low | 33.3 | Very low | 236 Ų | 236 | 156 Ų | 156 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -139.9 | 70 | 150.1 | -160.2 | 172.8 | -172 | 163.8 | 3.8 | 112.9 | ||||
| 487 | E | 29.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 134.5 | 155.1 | -66.2 | -171.5 | 149.3 | 0 | 0 | 109.3 | ||||
| 488 | S | 35.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -162.7 | 89.8 | 165.8 | -74.5 | 0 | 0 | 0 | 0 | 108.1 | L490 | S488-L490 PolarHBondContact O-N 3.29Š| ||
| 489 | S | 28.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -62.6 | 132.6 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 490 | L | 34.8 | Very low | 31.8 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -141.2 | 111.2 | 141.7 | -98.9 | -178.1 | 0 | 0 | 0 | 109.8 | S488 | S488-L490 PolarHBondContact O-N 3.29Š| ||
| 491 | Q | 27.2 | Very low | 31.7 | Very low | 158 Ų | 158 | 154.6 Ų | 154.6 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -85.8 | 125.8 | -176.8 | -177.9 | 179.7 | 17.3 | 0 | 0 | 110.1 | ||||
| 492 | F | 30.1 | Very low | 31.7 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -144.5 | 89.8 | 168.9 | -124.6 | -81.5 | 0 | 0 | 0 | 112.4 | Q494 | F492-Q494 PolarHBondContact O-N 3.1Š| ||
| 493 | S | 27.1 | Very low | 32 | Very low | 109 Ų | 109 | 155.6 Ų | 155.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -76.7 | 115.5 | 166.1 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 494 | Q | 31.1 | Very low | 32.6 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -152 | 135.9 | 156.8 | -151.3 | 158.9 | 35.3 | 0 | 0 | 112.9 | F492 L496 | F492-Q494 PolarHBondContact O-N 3.1Å; Q494-L496 PolarHBondContact O-N 2.85Å | ||
| 495 | E | 27 | Very low | 33.4 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -61.2 | 120.5 | 168.1 | -58.5 | 161.9 | 107.2 | 0 | 0 | 109.2 | P497 | E495-P497 WeakPolarHBondContact O-CD 3.42Š| ||
| 496 | L | 31.4 | Very low | 34.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -107.4 | 102.5 | 172.1 | -79 | 175.2 | 0 | 0 | 0 | 110 | Q494 I498 | Q494-L496 PolarHBondContact O-N 2.85Å; L496-I498 PolarHBondContact O-N 3.16Å | ||
| 497 | P | 27.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | -68.8 | 119.6 | 176.5 | 28 | -33.1 | 0 | 0 | 0 | 109.3 | E495 Q499 | E495-P497 WeakPolarHBondContact O-CD 3.42Å; P497-Q499 PolarHBondContact O-N 3.43Å | ||
| 498 | I | 35.8 | Very low | 36.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 67% | 0.667 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 97.1 | 175.9 | -58.9 | 178.5 | 0 | 0 | 0 | 108.5 | L496 Y500 | L496-I498 PolarHBondContact O-N 3.16Å; I498-Y500 VanDerWaalsContact C-N 3.32Å; I498-Y500 HydrophobicContact CB-CD2 4.39Å; I498-Y500 HydrophobicContact CB-CE2 4.1Å; I498-Y500 HydrophobicContact CG2-CD2 3.82Å; I498-Y500 HydrophobicContact CG2-CE1 4.43Å; I498-Y500 HydrophobicContact CG2-CE2 3.51Å; I498-Y500 HydrophobicContact CG2-CG 4.41Å; I498-Y500 PolarHBondContact O-N 3.09Å | ||
| 499 | Q | 29.2 | Very low | 38.7 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | -65.4 | 90.3 | 171.6 | -71.3 | -170.5 | -5.7 | 0 | 0 | 109.8 | P497 K501 | P497-Q499 PolarHBondContact O-N 3.43Å; Q499-K501 HydrophobicContact CB-CG 4.38Å; Q499-K501 PolarHBondContact O-N 3.42Å | ||
| 500 | Y | 36.4 | Very low | 40.9 | Very low | 204 Ų | 204 | 127 Ų | 127 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | trans | -68.9 | 73.6 | 165.7 | -78.1 | -76.7 | 0 | 0 | 0 | 110.4 | I498 D502 | I498-Y500 VanDerWaalsContact C-N 3.32Å; I498-Y500 HydrophobicContact CB-CD2 4.39Å; I498-Y500 HydrophobicContact CB-CE2 4.1Å; I498-Y500 HydrophobicContact CG2-CD2 3.82Å; I498-Y500 HydrophobicContact CG2-CE1 4.43Å; I498-Y500 HydrophobicContact CG2-CE2 3.51Å; I498-Y500 HydrophobicContact CG2-CG 4.41Å; I498-Y500 PolarHBondContact O-N 3.09Å; Y500-D502 PolarHBondContact O-N 3.45Å | ||
| 501 | K | 38.6 | Very low | 42.8 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | trans | -63.9 | 101 | 173.1 | -74.9 | 176.9 | 177.5 | 164.9 | 0 | 110.4 | Q499 S503 | Q499-K501 HydrophobicContact CB-CG 4.38Å; Q499-K501 PolarHBondContact O-N 3.42Å; K501-S503 PolarHBondContact O-N 2.98Å | ||
| 502 | D | 38.1 | Very low | 45.3 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | trans | 41.1 | 33.8 | 145.9 | -56.5 | -36.5 | 0 | 0 | 0 | 117.6 | Y500 C504 | Y500-D502 PolarHBondContact O-N 3.45Å; D502-C504 PolarHBondContact O-N 3.34Å; D502-C504 VanDerWaalsContact O-N 3.1Å | ||
| 503 | S | 40.4 | Very low | 47.5 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | trans | -82 | 96.1 | 178.8 | -161.3 | 0 | 0 | 0 | 0 | 109.1 | K501 | K501-S503 PolarHBondContact O-N 2.98Š| ||
| 504 | C | 40.9 | Very low | 50.2 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 75% | 0.75 | 63% | 0.625 | S | S | * | * | trans | -44.1 | 144.4 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | D502 S506 | D502-C504 PolarHBondContact O-N 3.34Å; D502-C504 VanDerWaalsContact O-N 3.1Å; C504-S506 WeakPolarHBondContact O-CA 3.45Å; C504-S506 PolarHBondContact O-N 2.89Å | ||
| 505 | L | 49.8 | Very low | 52.7 | Low | 83 Ų | 83 | 118.3 Ų | 118.3 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | trans | -49.7 | 90.8 | -179.1 | -71.5 | 170 | 0 | 0 | 0 | 112.6 | ||||
| 506 | S | 44.1 | Very low | 55.4 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | trans | -66 | 141.2 | -164.6 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | C504 A508 M509 | C504-S506 WeakPolarHBondContact O-CA 3.45Å; C504-S506 PolarHBondContact O-N 2.89Å; S506-A508 PolarHBondContact O-N 3.33Å; S506-A508 VanDerWaalsContact O-N 3.15Å; S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.16Å | ||
| 507 | V | 55.7 | Low | 57.8 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.9 | -29.5 | -178 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | M509 R514 | V507-M509 PolarHBondContact O-N 2.8Å; V507-R514 PolarHBondContact O-NH2 3.33Å |
| 508 | A | 66.5 | Low | 60.6 | Low | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -16.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S506 | S506-A508 PolarHBondContact O-N 3.33Å; S506-A508 VanDerWaalsContact O-N 3.15Å |
| 509 | M | 73.2 | Confident | 62.9 | Low | 25 Ų | 25 | 112.9 Ų | 112.9 | 12% | 0.123 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -76.6 | 132.3 | 176.8 | -65 | 171.1 | 64.7 | 0 | 0 | 111.6 | S506 V507 E513 R514 R517 | S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.16Å; V507-M509 PolarHBondContact O-N 2.8Å; M509-E513 HydrophobicContact CE-CB 4.43Å; M509-E513 HydrophobicContact CE-CG 3.8Å; M509-R514 HydrophobicContact CB-CG 3.58Å; M509-R514 HydrophobicContact CE-CG 4.17Å; M509-R514 PolarHBondContact O-NE 3.05Å; M509-R514 PolarHBondContact O-NH2 3.23Å; M509-R514 HydrophobicContact SD-CG 4.43Å; M509-R517 HydrophobicContact CE-CB 4.31Å; M509-R517 HydrophobicContact CE-CG 3.87Å |
| 510 | S | 74.6 | Confident | 65.5 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | trans | -54.5 | 151.2 | 169.5 | 175 | 0 | 0 | 0 | 0 | 112.2 | A512 E513 R514 | S510-A512 VanDerWaalsContact C-N 3.25Å; S510-A512 PolarHBondContact O-N 3.3Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3.43Å; S510-R514 PolarHBondContact O-N 3.08Å | ||
| 511 | R | 74.8 | Confident | 67.6 | Low | 227 Ų | 227 | 106.4 Ų | 106.4 | 86% | 0.857 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.9 | -38.5 | 178.7 | -178.3 | 174.2 | 176.5 | 152.6 | -2.6 | 112.8 | W515 | R511-W515 PolarHBondContact O-N 3.23Å |
| 512 | A | 79.1 | Confident | 69.7 | Low | 62 Ų | 62 | 104 Ų | 104 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S510 W515 R516 | S510-A512 VanDerWaalsContact C-N 3.25Å; S510-A512 PolarHBondContact O-N 3.3Å; A512-W515 PolarHBondContact O-N 2.93Å; A512-R516 PolarHBondContact O-N 3.41Å |
| 513 | E | 77.1 | Confident | 71.6 | Confident | 60 Ų | 60 | 101.7 Ų | 101.7 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | -179.5 | -171.2 | 60.5 | -164.5 | 0 | 0 | 112.1 | M509 S510 W515 R516 R517 | M509-E513 HydrophobicContact CE-CB 4.43Å; M509-E513 HydrophobicContact CE-CG 3.8Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3.43Å; E513-W515 VanDerWaalsContact C-N 3.29Å; E513-W515 PolarHBondContact O-N 3.42Å; E513-R516 PolarHBondContact O-N 3.13Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NH1 3.95Å; E513-R516 PolarHBondContact OE2-NH1 3.43Å; E513-R517 PolarHBondContact O-N 3.06Å; E513-R517 IonicContact OE1-NE 3.44Å; E513-R517 IonicContact OE1-NH2 2.73Å |
| 514 | R | 83 | Confident | 73.3 | Confident | 88 Ų | 88 | 98.7 Ų | 98.7 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 171.5 | -61.6 | -170.7 | -143.5 | 173 | 8.3 | 112.9 | V507 M509 S510 R518 | V507-R514 PolarHBondContact O-NH2 3.33Å; M509-R514 HydrophobicContact CB-CG 3.58Å; M509-R514 HydrophobicContact CE-CG 4.17Å; M509-R514 PolarHBondContact O-NE 3.05Å; M509-R514 PolarHBondContact O-NH2 3.23Å; M509-R514 HydrophobicContact SD-CG 4.43Å; S510-R514 PolarHBondContact O-N 3.08Å; R514-R518 PolarHBondContact O-N 3.03Å |
| 515 | W | 83.4 | Confident | 74.9 | Confident | 158 Ų | 158 | 96.5 Ų | 96.5 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -76.3 | -45.8 | 175.1 | -177.1 | 84.4 | 0 | 0 | 0 | 111.5 | R511 A512 E513 R517 R518 Q519 | R511-W515 PolarHBondContact O-N 3.23Å; A512-W515 PolarHBondContact O-N 2.93Å; E513-W515 VanDerWaalsContact C-N 3.29Å; E513-W515 PolarHBondContact O-N 3.42Å; W515-R517 PolarHBondContact O-N 2.91Å; W515-R518 WeakPolarHBondContact O-CA 3.44Å; W515-R518 WeakPolarHBondContact O-CB 3.46Å; W515-R518 PolarHBondContact O-N 2.95Å; W515-Q519 HydrophobicContact CD2-CG 4.3Å; W515-Q519 HydrophobicContact CE3-CG 4.28Å; W515-Q519 HydrophobicContact CH2-CG 4.03Å; W515-Q519 HydrophobicContact CZ2-CG 4.04Å; W515-Q519 HydrophobicContact CZ3-CG 4.15Å; W515-Q519 PolarHBondContact O-N 3.18Å |
| 516 | R | 83.4 | Confident | 75.8 | Confident | 143 Ų | 143 | 98.6 Ų | 98.6 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 174.7 | -176.7 | -175.8 | -73 | 135.6 | -10 | 112.1 | A512 E513 R518 Q519 L520 | A512-R516 PolarHBondContact O-N 3.41Å; E513-R516 PolarHBondContact O-N 3.13Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NH1 3.95Å; E513-R516 PolarHBondContact OE2-NH1 3.43Å; R516-R518 VanDerWaalsContact C-N 3.25Å; R516-R518 PolarHBondContact O-N 3.28Å; R516-Q519 PolarHBondContact O-N 3.04Å; R516-L520 HydrophobicContact CG-CD1 4.41Å; R516-L520 PolarHBondContact O-N 2.95Å; R516-L520 VanDerWaalsContact O-N 3.15Å |
| 517 | R | 82.5 | Confident | 76.6 | Confident | 125 Ų | 125 | 99 Ų | 99 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -22.3 | 174.6 | -68 | -154.8 | -163.6 | 169.7 | 0.7 | 114 | M509 E513 W515 L521 | M509-R517 HydrophobicContact CE-CB 4.31Å; M509-R517 HydrophobicContact CE-CG 3.87Å; E513-R517 PolarHBondContact O-N 3.06Å; E513-R517 IonicContact OE1-NE 3.44Å; E513-R517 IonicContact OE1-NH2 2.73Å; W515-R517 PolarHBondContact O-N 2.91Å; R517-L521 WeakPolarHBondContact O-CB 3.37Å; R517-L521 WeakPolarHBondContact O-CD1 3.28Å; R517-L521 VanDerWaalsContact O-CG 3.23Å; R517-L521 WeakPolarHBondContact O-CG 3.48Å; R517-L521 PolarHBondContact O-N 3.05Å |
| 518 | R | 85.9 | Confident | 76.2 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.9 | -44.6 | 172.2 | -176.5 | 175.8 | -61.4 | 150.7 | 4 | 111.2 | R514 W515 R516 L521 E522 | R514-R518 PolarHBondContact O-N 3.03Å; W515-R518 WeakPolarHBondContact O-CA 3.44Å; W515-R518 WeakPolarHBondContact O-CB 3.46Å; W515-R518 PolarHBondContact O-N 2.95Å; R516-R518 VanDerWaalsContact C-N 3.25Å; R516-R518 PolarHBondContact O-N 3.28Å; R518-L521 PolarHBondContact O-N 3.24Å; R518-L521 VanDerWaalsContact O-N 3.14Å; R518-E522 VanDerWaalsContact CD-OE1 3.23Å; R518-E522 WeakPolarHBondContact CD-OE1 3.37Å; R518-E522 HydrophobicContact CG-CG 4.34Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CG 3.48Å; R518-E522 PolarHBondContact O-N 3.02Å |
| 519 | Q | 83.9 | Confident | 75.6 | Confident | 66 Ų | 66 | 105.2 Ų | 105.2 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 175.9 | -65.4 | -68.5 | 28.5 | 0 | 0 | 111.3 | W515 R516 L521 E522 E523 | W515-Q519 HydrophobicContact CD2-CG 4.3Å; W515-Q519 HydrophobicContact CE3-CG 4.28Å; W515-Q519 HydrophobicContact CH2-CG 4.03Å; W515-Q519 HydrophobicContact CZ2-CG 4.04Å; W515-Q519 HydrophobicContact CZ3-CG 4.15Å; W515-Q519 PolarHBondContact O-N 3.18Å; R516-Q519 PolarHBondContact O-N 3.04Å; Q519-L521 PolarHBondContact O-N 3.38Å; Q519-L521 VanDerWaalsContact O-N 3.13Å; Q519-E522 PolarHBondContact O-N 3.33Å; Q519-E523 WeakPolarHBondContact O-CB 3.47Å; Q519-E523 WeakPolarHBondContact O-CG 3.45Å; Q519-E523 PolarHBondContact O-N 3.07Å |
| 520 | L | 83.9 | Confident | 74.5 | Confident | 100 Ų | 100 | 108.1 Ų | 108.1 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.9 | -32 | 176.6 | -69.3 | 167.9 | 0 | 0 | 0 | 113.6 | R516 A524 | R516-L520 HydrophobicContact CG-CD1 4.41Å; R516-L520 PolarHBondContact O-N 2.95Å; R516-L520 VanDerWaalsContact O-N 3.15Å; L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.03Å |
| 521 | L | 81.4 | Confident | 73 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -78.9 | -33 | 175.3 | -74.4 | 170.5 | 0 | 0 | 0 | 112.9 | R517 R518 Q519 S525 | R517-L521 WeakPolarHBondContact O-CB 3.37Å; R517-L521 WeakPolarHBondContact O-CD1 3.28Å; R517-L521 VanDerWaalsContact O-CG 3.23Å; R517-L521 WeakPolarHBondContact O-CG 3.48Å; R517-L521 PolarHBondContact O-N 3.05Å; R518-L521 PolarHBondContact O-N 3.24Å; R518-L521 VanDerWaalsContact O-N 3.14Å; Q519-L521 PolarHBondContact O-N 3.38Å; Q519-L521 VanDerWaalsContact O-N 3.13Å; L521-S525 VanDerWaalsContact O-CB 3.29Å; L521-S525 WeakPolarHBondContact O-CB 3.35Å; L521-S525 PolarHBondContact O-N 3.1Å; L521-S525 PolarHBondContact O-OG 2.92Å |
| 522 | E | 81.4 | Confident | 71.6 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.5 | -43 | 174.4 | -72.1 | 177.8 | -155.2 | 0 | 0 | 110.5 | R518 Q519 S525 L526 | R518-E522 VanDerWaalsContact CD-OE1 3.23Å; R518-E522 WeakPolarHBondContact CD-OE1 3.37Å; R518-E522 HydrophobicContact CG-CG 4.34Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CG 3.48Å; R518-E522 PolarHBondContact O-N 3.02Å; Q519-E522 PolarHBondContact O-N 3.33Å; E522-S525 WeakPolarHBondContact O-CB 3.4Å; E522-S525 PolarHBondContact O-N 2.73Å; E522-L526 WeakPolarHBondContact O-CG 3.47Å; E522-L526 PolarHBondContact O-N 3.39Å |
| 523 | E | 79.5 | Confident | 69.9 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 171.3 | -71.1 | 159.7 | -165.5 | 0 | 0 | 112.3 | Q519 S525 L526 S527 | Q519-E523 WeakPolarHBondContact O-CB 3.47Å; Q519-E523 WeakPolarHBondContact O-CG 3.45Å; Q519-E523 PolarHBondContact O-N 3.07Å; E523-S525 PolarHBondContact O-N 3.45Å; E523-L526 PolarHBondContact O-N 3.46Å; E523-L526 VanDerWaalsContact O-N 3.1Å; E523-S527 PolarHBondContact O-N 2.83Å |
| 524 | A | 75.9 | Confident | 68.2 | Low | 52 Ų | 52 | 112.8 Ų | 112.8 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -27.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L520 | L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.03Å |
| 525 | S | 74.5 | Confident | 66 | Low | 66 Ų | 66 | 115.9 Ų | 115.9 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76 | -33.8 | 173.6 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L521 E522 E523 F529 | L521-S525 VanDerWaalsContact O-CB 3.29Å; L521-S525 WeakPolarHBondContact O-CB 3.35Å; L521-S525 PolarHBondContact O-N 3.1Å; L521-S525 PolarHBondContact O-OG 2.92Å; E522-S525 WeakPolarHBondContact O-CB 3.4Å; E522-S525 PolarHBondContact O-N 2.73Å; E523-S525 PolarHBondContact O-N 3.45Å; S525-F529 WeakPolarHBondContact O-CD2 3.46Å |
| 526 | L | 68.1 | Low | 63.9 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.2 | -37.7 | 176.3 | -72.1 | 166.3 | 0 | 0 | 0 | 112 | E522 E523 Q528 F529 | E522-L526 WeakPolarHBondContact O-CG 3.47Å; E522-L526 PolarHBondContact O-N 3.39Å; E523-L526 PolarHBondContact O-N 3.46Å; E523-L526 VanDerWaalsContact O-N 3.1Å; L526-Q528 PolarHBondContact O-N 2.76Å; L526-F529 PolarHBondContact O-N 3.25Å |
| 527 | S | 60.3 | Low | 61.6 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -55.5 | -33.6 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 113.3 | E523 F529 S530 | E523-S527 PolarHBondContact O-N 2.83Å; S527-F529 PolarHBondContact O-N 3.07Å; S527-F529 VanDerWaalsContact O-N 3.09Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 VanDerWaalsContact O-N 3.1Å |
| 528 | Q | 47.8 | Very low | 59.1 | Low | 144 Ų | 144 | 117.3 Ų | 117.3 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -14.7 | 177.5 | -66.1 | 179.9 | 30.3 | 0 | 0 | 114.5 | L526 | L526-Q528 PolarHBondContact O-N 2.76Š|
| 529 | F | 53.6 | Low | 56.6 | Low | 168 Ų | 168 | 119.6 Ų | 119.6 | 74% | 0.737 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -8 | 177.1 | -67.2 | -81.9 | 0 | 0 | 0 | 114 | S525 L526 S527 | S525-F529 WeakPolarHBondContact O-CD2 3.46Å; L526-F529 PolarHBondContact O-N 3.25Å; S527-F529 PolarHBondContact O-N 3.07Å; S527-F529 VanDerWaalsContact O-N 3.09Å |
| 530 | S | 51.1 | Low | 54.2 | Low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -34.1 | -176.2 | -160.6 | 0 | 0 | 0 | 0 | 113.1 | S527 Q532 | S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 VanDerWaalsContact O-N 3.1Å; S530-Q532 VanDerWaalsContact C-N 3.31Å; S530-Q532 PolarHBondContact O-N 3.37Å; S530-Q532 VanDerWaalsContact O-N 3.13Å |
| 531 | T | 42.3 | Very low | 52 | Low | 107 Ų | 107 | 123.6 Ų | 123.6 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 11 | -165.9 | 40.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 532 | Q | 45.4 | Very low | 49.6 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -1.7 | 178.2 | -69 | -163.5 | -6.4 | 0 | 0 | 115.5 | S530 | S530-Q532 VanDerWaalsContact C-N 3.31Å; S530-Q532 PolarHBondContact O-N 3.37Å; S530-Q532 VanDerWaalsContact O-N 3.13Å |
| 533 | I | 43.6 | Very low | 47.5 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -93.5 | -25.2 | -170.4 | -61 | 177.7 | 0 | 0 | 0 | 113.1 | N535 | I533-N535 PolarHBondContact O-N 3.38Š|
| 534 | S | 41.5 | Very low | 45.4 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -79.8 | -9.7 | -170.7 | 49.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 535 | N | 37.1 | Very low | 43.4 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -102.9 | 23.2 | -162.1 | -143 | 3.6 | 0 | 0 | 0 | 115 | I533 | I533-N535 PolarHBondContact O-N 3.38Š|
| 536 | I | 38.5 | Very low | 41.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -139.3 | 47.8 | -175.3 | -37.3 | 179.9 | 0 | 0 | 0 | 113.1 | ||
| 537 | Q | 35.1 | Very low | 40 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -164.1 | 75.5 | 162.2 | -116.9 | 167.1 | 19.1 | 0 | 0 | 113.6 | ||||
| 538 | S | 31.2 | Very low | 38.8 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -160.6 | 106.4 | 166.3 | -80.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 539 | N | 33.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -175.2 | 103.7 | 169.4 | -104.9 | -28.6 | 0 | 0 | 0 | 110.7 | ||||
| 540 | S | 33.5 | Very low | 37.2 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -176.3 | 151.5 | 146.9 | -159.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 541 | V | 36.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 73.1 | 102.4 | 167.9 | -161.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 542 | H | 32.6 | Very low | 36 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | trans | -46.4 | 157.2 | 162.9 | -81.4 | -103.6 | 0 | 0 | 0 | 116.3 | N544 | H542-N544 PolarHBondContact ND1-OD1 3.26Š| ||
| 543 | I | 35.8 | Very low | 35.3 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | -155.6 | 125.5 | 103.1 | -91.6 | 149.6 | 0 | 0 | 0 | 111.4 | |||||
| 544 | N | 35.6 | Very low | 35 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | -37.7 | 157.4 | 164.6 | -49.8 | -1.3 | 0 | 0 | 0 | 114 | H542 | H542-N544 PolarHBondContact ND1-OD1 3.26Š| ||
| 545 | N | 33.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -156.1 | -165.1 | 3.3 | -126.2 | 34.5 | 0 | 0 | 0 | 107.6 | ||||
| 546 | D | 35.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | cis | -157.8 | -159.6 | 14.1 | -145.2 | -64.6 | 0 | 0 | 0 | 110.4 | ||||
| 547 | L | 36.2 | Very low | 34.1 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 77.2 | 77.7 | 157.3 | -73.3 | 146.9 | 0 | 0 | 0 | 120 | ||||
| 548 | I | 36.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | 71 | 110.1 | 129.3 | -61.2 | 176.2 | 0 | 0 | 0 | 120 | |||||
| 549 | N | 31.8 | Very low | 34.1 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 18.2 | 152.4 | 126.5 | -53.3 | -6.5 | 0 | 0 | 0 | 120.6 | |||||
| 550 | E | 35.7 | Very low | 34.4 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -136.8 | 149.4 | 20.8 | -80.5 | -165.6 | 142.9 | 0 | 0 | 111 | ||||
| 551 | N | 30.4 | Very low | 34.3 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | cis | 87.2 | 80.8 | 43.3 | -177.2 | 43 | 0 | 0 | 0 | 115.8 | ||||
| 552 | V | 37.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 92% | 0.915 | 78% | 0.775 | S | S | * | * | trans | -139.2 | 145.7 | 152 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 553 | N | 31.2 | Very low | 34.2 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -133.3 | -157.5 | -163.8 | -151.6 | -11.2 | 0 | 0 | 0 | 112.4 | ||||
| 554 | P | 37.3 | Very low | 33.9 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | -110.3 | 169.6 | -119.6 | 38.5 | -25.3 | 0 | 0 | 0 | 116.7 | |||||
| 555 | S | 34.1 | Very low | 34.1 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -146 | 138.8 | 166.5 | -168.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 556 | T | 32.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 152.9 | -167.7 | 39.7 | 0 | 0 | 0 | 0 | 119.7 | ||
| 557 | P | 29.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 153.1 | 174.6 | 37.1 | -35.4 | 0 | 0 | 0 | 114.8 | ||
| 558 | P | 37.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 132.5 | 175.2 | 32.3 | -33.7 | 0 | 0 | 0 | 113.3 | ||
| 559 | R | 29.6 | Very low | 34.4 | Very low | 229 Ų | 229 | 149 Ų | 149 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 129 | 173 | -70 | 173.2 | 168.8 | 143.1 | -5.7 | 111.5 | ||
| 560 | L | 38.7 | Very low | 34.6 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -129.8 | 120.7 | 155.1 | -77 | 179.1 | 0 | 0 | 0 | 111.6 | ||||
| 561 | L | 31.8 | Very low | 34.5 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -95.5 | 134.8 | -175.3 | -70.6 | 142.9 | 0 | 0 | 0 | 111.4 | ||||
| 562 | R | 32.9 | Very low | 34.6 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -162 | 86.4 | 142.4 | -109.7 | 156.7 | -161.7 | -158.2 | 4.7 | 116 | ||||
| 563 | R | 35 | Very low | 34.3 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | 58.7 | 94.8 | 141.2 | -66 | -175.5 | 165.5 | 124.3 | 2.6 | 119.5 | ||||
| 564 | N | 29.5 | Very low | 34.2 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -84 | 143 | 145.1 | -67.6 | -20.7 | 0 | 0 | 0 | 110.4 | ||||
| 565 | S | 40.1 | Very low | 33.9 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -160.8 | 136.5 | 161.7 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 566 | N | 41.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | cis | -120.7 | 137.8 | -4 | -69 | -61.4 | 0 | 0 | 0 | 110.5 | ||||
| 567 | L | 36.7 | Very low | 33.8 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -78.3 | 155.9 | 178 | -83.9 | 150.6 | 0 | 0 | 0 | 112.5 | A569 | L567-A569 PolarHBondContact O-N 3.47Š| ||
| 568 | L | 38.4 | Very low | 33.8 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -2.1 | 101.9 | 142.1 | -57.3 | 171.5 | 0 | 0 | 0 | 114.8 | ||||
| 569 | A | 31 | Very low | 33.4 | Very low | 84 Ų | 84 | 157 Ų | 157 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -118.4 | 132.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | L567 | L567-A569 PolarHBondContact O-N 3.47Š| ||
| 570 | N | 35.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 153 Ų | 153 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 98.8 | 15.3 | -175.3 | -52.7 | -18 | 0 | 0 | 0 | 117.5 | ||
| 571 | M | 32.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -121.6 | 136.1 | 132.5 | -49.2 | -164.2 | -48.5 | 0 | 0 | 104.7 | ||||
| 572 | I | 33.8 | Very low | 33.3 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | cis | -125.3 | 160.3 | 14.5 | -44.9 | 91.8 | 0 | 0 | 0 | 109.1 | ||||
| 573 | S | 30.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -144.2 | 104.2 | 156.9 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 574 | S | 30.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -89.9 | 136.8 | 167.1 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 575 | S | 30.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 174.7 | 148.5 | 150.3 | 22.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 576 | D | 32.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 153 | 151.3 | -17 | -94.9 | -38.8 | 0 | 0 | 0 | 104.7 | ||||
| 577 | H | 31.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 30.7 | 118.8 | 167.1 | -59.7 | -47 | 0 | 0 | 0 | 121.5 | ||||
| 578 | H | 30.8 | Very low | 32.7 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | 12.9 | 120.7 | 125.1 | -67.6 | -72.5 | 0 | 0 | 0 | 118.8 | |||||
| 579 | R | 28.7 | Very low | 32.5 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | 56.5 | 124.8 | 130.6 | -111 | -178.3 | 178 | -167.5 | -1.6 | 118.8 | ||||
| 580 | L | 34.1 | Very low | 32.7 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 97.6 | 105.9 | 158.2 | -53.1 | 174.3 | 0 | 0 | 0 | 117.9 | ||||
| 581 | N | 31.9 | Very low | 32.9 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 71.8 | 114.8 | 125.9 | -67.2 | 2.4 | 0 | 0 | 0 | 122.5 | |||||
| 582 | T | 32.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | 101.3 | 86.1 | 122.1 | -59.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 583 | T | 34 | Very low | 33.2 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 75 | 152.8 | 131.8 | 63.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 584 | L | 34.4 | Very low | 33.7 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 67 | 113 | 163.6 | -65 | 156.9 | 0 | 0 | 0 | 116.1 | ||||
| 585 | I | 32.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | 77.9 | 98 | 43.2 | -52.2 | 168.5 | 0 | 0 | 0 | 114.5 | ||||
| 586 | Q | 34.9 | Very low | 34.3 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 179.6 | 125 | 133.4 | -95.5 | 166.6 | 18.2 | 0 | 0 | 107.9 | ||||
| 587 | L | 30.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | 67.2 | 114.3 | 67.5 | -81.5 | 163.5 | 0 | 0 | 0 | 115.1 | |||||
| 588 | I | 35.8 | Very low | 34.6 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 178.8 | 115.7 | 120.7 | -89.9 | 154.9 | 0 | 0 | 0 | 113.5 | |||||
| 589 | H | 34.2 | Very low | 35.1 | Very low | 168 Ų | 168 | 157.6 Ų | 157.6 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | 36.8 | 147.6 | 143.2 | -55 | 95.7 | 0 | 0 | 0 | 126.3 | ||||
| 590 | S | 35 | Very low | 35.3 | Very low | 98 Ų | 98 | 153.7 Ų | 153.7 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -117.7 | 155.2 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 591 | P | 40.9 | Very low | 35.5 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -74.5 | 164.6 | 170.2 | -17.4 | 32.9 | 0 | 0 | 0 | 114.4 | ||||
| 592 | K | 39.1 | Very low | 35.5 | Very low | 202 Ų | 202 | 156.3 Ų | 156.3 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -119.2 | 159.9 | -162.9 | -70 | 173.7 | -177.3 | 167.3 | 0 | 116.3 | ||||
| 593 | R | 33.1 | Very low | 35.4 | Very low | 214 Ų | 214 | 157.7 Ų | 157.7 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -62.6 | 143.3 | 176.6 | -155.2 | -173.5 | -155.8 | 167.9 | 6.5 | 114.1 | ||||
| 594 | I | 40.2 | Very low | 35.3 | Very low | 167 Ų | 167 | 158.8 Ų | 158.8 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -126.7 | 160.8 | 155.7 | -62.7 | -176.5 | 0 | 0 | 0 | 108.6 | ||||
| 595 | K | 34.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 157.6 Ų | 157.6 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -133.3 | 177.1 | -168.6 | -77.7 | -175.5 | 174.9 | -179.5 | 0 | 112.7 | ||||
| 596 | T | 38.7 | Very low | 35.5 | Very low | 133 Ų | 133 | 156.8 Ų | 156.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | 94.8 | 162.3 | 156.9 | 77.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 597 | P | 35 | Very low | 35.2 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | -134 | 169.8 | -56.9 | 38 | -24.1 | 0 | 0 | 0 | 114.3 | |||||
| 598 | R | 36.6 | Very low | 35.3 | Very low | 244 Ų | 244 | 156.6 Ų | 156.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 142.8 | 168.1 | -82.5 | 178.1 | 163.6 | 162.1 | -6.6 | 112.2 | ||||
| 599 | K | 40.2 | Very low | 35.2 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -140.7 | 147.3 | 151 | -77.3 | -167.2 | 176.6 | -179.9 | 0 | 110.7 | ||||
| 600 | N | 33.6 | Very low | 35.2 | Very low | 149 Ų | 149 | 153.2 Ų | 153.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 163.7 | 162 | -56.7 | -21.4 | 0 | 0 | 0 | 109.5 | ||||
| 601 | I | 37.6 | Very low | 35.1 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -163.3 | 148.9 | 131.8 | -102.2 | 150 | 0 | 0 | 0 | 109.2 | ||||
| 602 | F | 31.3 | Very low | 34.6 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.772 | 80% | 0.802 | S | S | * | * | trans | -76.1 | 173 | 176.2 | -87.6 | -116.2 | 0 | 0 | 0 | 111.5 | ||||
| 603 | N | 30.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 154 Ų | 154 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 14.6 | 125.1 | 149.5 | -55.8 | -1.1 | 0 | 0 | 0 | 118.5 | ||||
| 604 | V | 33.2 | Very low | 34.6 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | -169.6 | 132.9 | 117.1 | 139.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 605 | T | 32.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -82 | 128.1 | 169.3 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | K607 | T605-K607 PolarHBondContact O-N 3.39Š| ||
| 606 | P | 38.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -75.5 | 119.6 | 172.2 | 29.8 | -32 | 0 | 0 | 0 | 110.9 | ||||
| 607 | K | 29.2 | Very low | 34.1 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -105.6 | 108.5 | 162.9 | -88.8 | -170.9 | 173.4 | -175.2 | 0 | 109.1 | T605 | T605-K607 PolarHBondContact O-N 3.39Š| ||
| 608 | C | 31.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 149 Ų | 149 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -134.7 | 93.9 | 163 | -64.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 609 | T | 34.9 | Very low | 34 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | 65.1 | 106.8 | 88.2 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 610 | S | 32.8 | Very low | 33.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 143.5 | 172.6 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 611 | N | 32.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -154 | 156.2 | 139.8 | -130.6 | -31.4 | 0 | 0 | 0 | 111.6 | ||||
| 612 | A | 31.7 | Very low | 33.8 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -95.8 | 153.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 613 | K | 36.4 | Very low | 33.9 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -177.5 | 137.8 | 122.1 | -98 | 158.4 | -174.7 | -179.8 | 0 | 114.2 | |||||
| 614 | N | 35.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -28.1 | 146.1 | 165 | -38.1 | -9.2 | 0 | 0 | 0 | 116.3 | ||||
| 615 | N | 37.3 | Very low | 34.1 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -175.4 | 160.4 | 104.4 | -90.8 | -17.8 | 0 | 0 | 0 | 114.3 | |||||
| 616 | C | 29.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -29.8 | 157.5 | 173.1 | -59.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 617 | S | 36.5 | Very low | 34 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -160.6 | 148.3 | 45 | -68.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 618 | Q | 37 | Very low | 34.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | 42.1 | 140.1 | 129.5 | -52.4 | -175.3 | 11.9 | 0 | 0 | 119.4 | |||||
| 619 | L | 31.9 | Very low | 34.3 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -162.5 | 174.5 | 1.4 | -137 | 57.3 | 0 | 0 | 0 | 105.6 | ||||
| 620 | S | 36.4 | Very low | 34.1 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | cis | -148.6 | 166.9 | 17.8 | -74.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 621 | T | 35.1 | Very low | 34.2 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -44.6 | 154.9 | 155.6 | 50.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 622 | T | 36.8 | Very low | 34.3 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 75% | 0.747 | S | S | * | * | -141.6 | 159.8 | 58.5 | 8.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 623 | T | 31.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -135.6 | 150.2 | -176.2 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | Q625 | T623-Q625 HydrophobicContact CG2-CG 4.15Š| ||
| 624 | T | 36.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 87% | 0.871 | 75% | 0.75 | S | S | * | * | trans | -130.9 | 127.9 | 157.2 | -42.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 625 | Q | 31.3 | Very low | 34.6 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -104.4 | 164.6 | 176.2 | -63.8 | 174.9 | -18.7 | 0 | 0 | 110 | T623 | T623-Q625 HydrophobicContact CG2-CG 4.15Š| ||
| 626 | I | 37.7 | Very low | 34.4 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -166.6 | 108.9 | 134.8 | -97.2 | 146.6 | 0 | 0 | 0 | 107.9 | ||||
| 627 | N | 32.1 | Very low | 34.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | 36 | 149.2 | 108.5 | -65.5 | 13.9 | 0 | 0 | 0 | 118.5 | |||||
| 628 | T | 34.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | -176.4 | 153.8 | 2.5 | 23 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 629 | D | 31.6 | Very low | 34.1 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | -171.7 | -161.8 | -14.4 | -147.9 | -72.2 | 0 | 0 | 0 | 108.1 | ||||
| 630 | C | 30 | Very low | 34.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 69% | 0.689 | 75% | 0.745 | S | S | * | * | trans | 83.5 | 122.2 | 149.3 | -74 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 631 | S | 36.2 | Very low | 34.1 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 79.2 | 136.7 | 136 | -61.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 632 | N | 34.6 | Very low | 34 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | cis | -159.3 | 159 | -19.4 | -120.9 | -16.4 | 0 | 0 | 0 | 110.1 | ||||
| 633 | P | 40.2 | Very low | 33.4 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | trans | -104.1 | 158.3 | -165.6 | 38.7 | -35.2 | 0 | 0 | 0 | 115.5 | ||||
| 634 | V | 35.6 | Very low | 33.3 | Very low | 144 Ų | 144 | 130 Ų | 130 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | trans | -131.2 | 134.9 | 155.5 | -176.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 635 | Q | 33 | Very low | 33 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -53.3 | 161.8 | 178.4 | -58.7 | 160.3 | 7.7 | 0 | 0 | 112.5 | ||||
| 636 | I | 34.9 | Very low | 32.9 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | -149.1 | 124.5 | 70.8 | -80.4 | 158.1 | 0 | 0 | 0 | 113.2 | |||||
| 637 | T | 33 | Very low | 32.6 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | 39.8 | 97.6 | 143.2 | -45.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 638 | T | 29.2 | Very low | 32.6 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -76.3 | 146.4 | 144.7 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 639 | T | 32.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -168.8 | 162.2 | 152.1 | 9.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 640 | P | 34.2 | Very low | 32.3 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | -122.3 | 171.1 | -118.7 | 39 | -24.5 | 0 | 0 | 0 | 115.4 | I642 | P640-I642 PolarHBondContact O-N 3.41Š| |||
| 641 | P | 34.8 | Very low | 32.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -65.9 | 123 | 169.5 | 27.8 | -35.2 | 0 | 0 | 0 | 111.3 | ||||
| 642 | I | 32.1 | Very low | 32 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -113 | 134.2 | 171.7 | -65.6 | -177.8 | 0 | 0 | 0 | 109.6 | P640 | P640-I642 PolarHBondContact O-N 3.41Š| ||
| 643 | C | 26 | Very low | 32 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -96.8 | 177 | -170.4 | -173.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 644 | T | 28.7 | Very low | 32 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 101.6 | 154.7 | 152.6 | 78.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 645 | M | 29.5 | Very low | 32.1 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 64% | 0.64 | 75% | 0.746 | S | S | * | * | trans | 87.9 | 74 | 159.9 | -61.3 | -59 | 98.6 | 0 | 0 | 121 | ||||
| 646 | K | 29.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 68% | 0.683 | 75% | 0.746 | S | S | * | * | 78.8 | 143.2 | 122.1 | -72.4 | 166.9 | -179.9 | 156.7 | 0 | 119.9 | |||||
| 647 | P | 31.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -82.7 | 136.1 | 164.1 | 34.5 | -31.5 | 0 | 0 | 0 | 110.8 | ||||
| 648 | F | 31.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -143.7 | 155.4 | 162.6 | -99.9 | -80.4 | 0 | 0 | 0 | 111.6 | ||||
| 649 | L | 29.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -83.6 | 179.2 | 175.5 | -64.5 | 161 | 0 | 0 | 0 | 110.6 | ||||
| 650 | Q | 30 | Very low | 32.7 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 93.8 | 106.2 | 148.1 | -138.6 | 72.9 | 63.7 | 0 | 0 | 118.4 | ||||
| 651 | N | 29.9 | Very low | 32.7 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | trans | 77.2 | 134.4 | 137.5 | -78.8 | 46 | 0 | 0 | 0 | 124.1 | ||||
| 652 | D | 30.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 58.9 | 145.5 | 137.9 | -46 | -25.8 | 0 | 0 | 0 | 119 | ||||
| 653 | V | 35.5 | Very low | 33 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | cis | -148.8 | 163.5 | 45.4 | 166.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 654 | Q | 38.5 | Very low | 33.3 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -74.2 | -169.8 | 176.6 | -60.7 | -170.2 | -26.5 | 0 | 0 | 114.2 | ||||
| 655 | P | 38.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | -137.9 | 140.9 | 88.7 | 35.4 | -22 | 0 | 0 | 0 | 116.3 | |||||
| 656 | M | 37.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | trans | 69 | 148.9 | 146.1 | -67.1 | 174.3 | 70 | 0 | 0 | 118.5 | ||||
| 657 | S | 34.6 | Very low | 33.7 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -168.4 | 169.7 | -15.9 | 64.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 658 | N | 32.6 | Very low | 33.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | cis | -159.5 | 167.8 | 3.6 | -141.6 | -10.6 | 0 | 0 | 0 | 109 | ||||
| 659 | V | 36.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | trans | 62.1 | 131.7 | 151.5 | 166.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 660 | N | 34.9 | Very low | 34 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | cis | -169.3 | 166.4 | -6.2 | -104.6 | -3.8 | 0 | 0 | 0 | 106 | ||||
| 661 | T | 34.3 | Very low | 34 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | cis | -161.7 | 143 | 2.2 | -117.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 662 | V | 37.1 | Very low | 34 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 49 | 132.3 | 157.5 | 177.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 663 | G | 34.7 | Very low | 34.2 | Very low | 62 Ų | 62 | 141.3 Ų | 141.3 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | cis | 160 | 156 | -7.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 664 | S | 32.6 | Very low | 34 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 66.1 | 107.9 | 146.4 | -58.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 665 | I | 31.7 | Very low | 33.6 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | 60.3 | 137.4 | 110.5 | -65.1 | 158 | 0 | 0 | 0 | 119.2 | |||||
| 666 | P | 37.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -142.5 | -163.6 | -26 | 41.3 | -20.1 | 0 | 0 | 0 | 114.2 | ||||
| 667 | R | 27.6 | Very low | 33.6 | Very low | 241 Ų | 241 | 140.7 Ų | 140.7 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | 30.4 | 103 | 151.2 | -77.9 | 177.3 | 155.8 | 174.4 | -5.2 | 119.3 | ||||
| 668 | S | 27.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | 177.3 | 167.3 | 132.1 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 669 | T | 35 | Very low | 33.6 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -92.8 | 177.5 | 165.6 | 63.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 670 | P | 37.4 | Very low | 33.6 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | cis | -139.4 | -150 | 4.1 | 39.2 | -16.1 | 0 | 0 | 0 | 113.3 | ||||
| 671 | R | 29.5 | Very low | 33.5 | Very low | 226 Ų | 226 | 145.9 Ų | 145.9 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | 73.1 | 163.6 | 163.4 | -76.9 | 173.8 | 171.9 | -176.6 | -2.3 | 117.7 | ||||
| 672 | R | 29.5 | Very low | 33.5 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | cis | 162.6 | 114.4 | -33 | 176.5 | -168.5 | -169.2 | -144.2 | 8.9 | 107.3 | T674 | R672-T674 HydrophobicContact CG-CG2 4.11Š| ||
| 673 | R | 34.3 | Very low | 33.2 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -115.3 | 113.1 | 152.8 | -82 | 178.2 | 164.5 | 161.1 | -5.7 | 106.3 | ||||
| 674 | T | 31.5 | Very low | 33.2 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 51% | 0.509 | 75% | 0.747 | S | S | . | * | 70.6 | 129.3 | 51.7 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | R672 | R672-T674 HydrophobicContact CG-CG2 4.11Š| |||
| 675 | Y | 31.4 | Very low | 33.3 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | cis | -147.6 | 168.4 | -3.9 | -103.5 | -170 | 0 | 0 | 0 | 105.3 | ||||
| 676 | K | 38.7 | Very low | 33.3 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | cis | -141 | 148 | 25.8 | -64.2 | 173.1 | 178.8 | 175.6 | 0 | 111 | ||||
| 677 | S | 36.8 | Very low | 32.9 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | -100.7 | 152.7 | 144.4 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | D679 | S677-D679 PolarHBondContact OG-OD1 3.43Š| ||
| 678 | K | 34 | Very low | 33 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -149.9 | 95 | 152.9 | -158.2 | 173.3 | -178 | -179 | 0 | 105.5 | ||||
| 679 | D | 31.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | 64.9 | 99.6 | 79.9 | -54.5 | -13.2 | 0 | 0 | 0 | 108.8 | S677 | S677-D679 PolarHBondContact OG-OD1 3.43Š| |||
| 680 | I | 36.5 | Very low | 33 | Very low | 140 Ų | 140 | 142 Ų | 142 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | 85.3 | 113.9 | 94.2 | -74.5 | 158.4 | 0 | 0 | 0 | 110.3 | |||||
| 681 | D | 33.2 | Very low | 33 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 169.7 | 160.2 | 134.1 | -88.5 | -21.8 | 0 | 0 | 0 | 109.6 | ||||
| 682 | D | 33.9 | Very low | 33.1 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | -158.6 | 163.6 | -62.1 | -158.7 | -4.9 | 0 | 0 | 0 | 107.3 | |||||
| 683 | S | 32 | Very low | 33.4 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | 66.5 | 160.6 | 162 | 88.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 684 | H | 34 | Very low | 33.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | cis | -136.1 | 159.2 | -13.3 | -103.8 | -40 | 0 | 0 | 0 | 109.3 | ||||
| 685 | P | 36.2 | Very low | 33.5 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -90.9 | -131.5 | 178.5 | 39 | -35.6 | 0 | 0 | 0 | 111 | ||||
| 686 | V | 30.7 | Very low | 33.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.655 | 73% | 0.731 | S | S | * | * | trans | 100.9 | 93.8 | 162.8 | -169.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 687 | N | 28.9 | Very low | 33.8 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | 80 | 162.7 | 136.9 | -68 | -3.4 | 0 | 0 | 0 | 122.6 | ||||
| 688 | T | 29.6 | Very low | 34 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | cis | -173.3 | 171.3 | -34.7 | -85.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 689 | T | 34 | Very low | 34.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | 74.4 | 121.9 | 179.6 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 690 | A | 29.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | cis | 79.2 | 97.6 | 10 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 691 | T | 37.1 | Very low | 34.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -164.8 | 125.1 | 147.9 | 17.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 692 | S | 30.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | 84.2 | 93.9 | 31.1 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 693 | R | 37.3 | Very low | 34.2 | Very low | 224 Ų | 224 | 134.4 Ų | 134.4 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 168.5 | 146.3 | 154.5 | -95.7 | 157.3 | -169.5 | -145.1 | 4.7 | 109.7 | ||||
| 694 | R | 32.9 | Very low | 34.3 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | cis | -168.8 | 141.3 | -13 | -142.7 | -173.7 | -175.5 | -173.9 | 2.9 | 111 | ||||
| 695 | R | 35.3 | Very low | 34.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | 62.3 | 160.7 | 150.3 | -82.5 | 175.4 | 172.4 | -176.3 | -4.4 | 118.4 | ||||
| 696 | T | 37.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | cis | -150.4 | 140.6 | -2.5 | -1.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 697 | R | 38.6 | Very low | 34.6 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 32.2 | 155.1 | 130.9 | -56.7 | 175.1 | 170.7 | -175.2 | -8.1 | 120.8 | ||||
| 698 | H | 41.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | -152.3 | 150.4 | 34.7 | -75.3 | -103.1 | 0 | 0 | 0 | 115 | ||||
| 699 | S | 36.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 29.4 | 157.4 | 131.9 | -54.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 700 | S | 34.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | cis | -179.8 | 153.5 | -18.1 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 701 | G | 36.1 | Very low | 35.2 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | 89.5 | 162.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 702 | F | 31.7 | Very low | 35.1 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | cis | -174.6 | 162.9 | -7.5 | -149.3 | -113.3 | 0 | 0 | 0 | 108.8 | ||||
| 703 | V | 34.6 | Very low | 35.2 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 57% | 0.57 | 75% | 0.753 | S | S | * | * | -158.1 | 153.8 | -55.5 | 107.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 704 | Q | 34.3 | Very low | 35.4 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 158.5 | 165.6 | -84.8 | 167.6 | -13.9 | 0 | 0 | 119.9 | ||||
| 705 | S | 35.2 | Very low | 35.7 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -153.9 | 167.1 | -3.6 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 706 | N | 35.2 | Very low | 35.9 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 53.3 | 112.7 | 161.2 | -61.8 | -9.3 | 0 | 0 | 0 | 120.4 | ||||
| 707 | T | 36 | Very low | 35.8 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | 65.4 | 130.8 | 67 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 708 | R | 35.3 | Very low | 36.2 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | -163 | 127 | 58.1 | -179.3 | 176.3 | -176.2 | 163.3 | 11.3 | 115.4 | |||||
| 709 | E | 33.6 | Very low | 36.7 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 50.2 | 134 | 145.6 | -57.4 | 167.8 | 156.4 | 0 | 0 | 122.8 | ||||
| 710 | T | 29.6 | Very low | 37.3 | Very low | 142 Ų | 142 | 143 Ų | 143 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -144.2 | 143.3 | 160.3 | -68.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 711 | I | 36 | Very low | 38.2 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | -99.5 | 114.5 | -164.5 | -55.9 | 176.4 | 0 | 0 | 0 | 112.3 | ||||
| 712 | V | 34.8 | Very low | 38.7 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | 5.7 | 129.7 | 153.5 | -173.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 713 | S | 33.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -112.3 | 138.5 | 144.5 | -64.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 714 | P | 41.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 145 Ų | 145 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | trans | -98.3 | 152 | -169.3 | 36.3 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 715 | Q | 39.1 | Very low | 40.5 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | 59.7 | 92.7 | 152.4 | -78.6 | 160.2 | -62.1 | 0 | 0 | 120.1 | ||||
| 716 | I | 39.2 | Very low | 41.2 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.1 | 144.8 | -58.8 | 166.8 | 0 | 0 | 0 | 107.8 | ||
| 717 | F | 35.4 | Very low | 42 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 148.7 | 176.6 | -79.7 | -95.7 | 0 | 0 | 0 | 112.1 | ||
| 718 | D | 46.3 | Very low | 42.9 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.3 | 178.3 | -153.3 | -27.7 | 0 | 0 | 0 | 111.3 | E720 | D718-E720 PolarHBondContact OD1-N 3.34Š|
| 719 | E | 52.8 | Low | 43.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -81.4 | -27.3 | -172.6 | -162.4 | 164.7 | -141.6 | 0 | 0 | 111.5 | A721 M722 | E719-A721 PolarHBondContact O-N 3.49Å; E719-M722 HydrophobicContact CG-CE 4.33Å; E719-M722 PolarHBondContact O-N 2.96Å |
| 720 | E | 49.5 | Very low | 44.5 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.7 | -17.6 | 178.9 | -142.7 | 164.1 | -135.5 | 0 | 0 | 112.3 | D718 | D718-E720 PolarHBondContact OD1-N 3.34Š|
| 721 | A | 53.1 | Low | 45.3 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -84.5 | 0.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E719 | E719-A721 PolarHBondContact O-N 3.49Š|
| 722 | M | 46.7 | Very low | 46 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 49% | 0.488 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -97.4 | -5.5 | -178.1 | -71.3 | -158.2 | -67 | 0 | 0 | 115.2 | E719 | E719-M722 HydrophobicContact CG-CE 4.33Å; E719-M722 PolarHBondContact O-N 2.96Å |
| 723 | F | 45.5 | Very low | 46.4 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 76% | 0.763 | 71% | 0.706 | S | S | * | * | trans | -130.6 | 111.2 | -178.6 | -65.6 | -80.7 | 0 | 0 | 0 | 111.2 | ||||
| 724 | L | 50.7 | Low | 46.8 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | trans | -64.5 | 166.4 | 170.2 | -81.1 | 161.6 | 0 | 0 | 0 | 111.6 | R726 | L724-R726 PolarHBondContact O-N 2.9Š| ||
| 725 | G | 40.9 | Very low | 46.8 | Very low | 31 Ų | 31 | 139.2 Ų | 139.2 | 32% | 0.32 | 70% | 0.7 | S | S | . | * | trans | -58.9 | 128 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113 | E727 E728 F729 | G725-E727 PolarHBondContact O-N 3.09Å; G725-E728 WeakPolarHBondContact CA-OE2 3.34Å; G725-E728 PolarHBondContact N-OE2 3.5Å; G725-E728 WeakPolarHBondContact O-CB 3.4Å; G725-E728 PolarHBondContact O-N 3.31Å; G725-F729 PolarHBondContact O-N 2.73Å | ||
| 726 | R | 50.3 | Low | 46.5 | Very low | 234 Ų | 234 | 138.4 Ų | 138.4 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19 | 172.9 | -157.6 | -176.2 | -149.7 | 147.9 | 8.1 | 113.2 | L724 | L724-R726 PolarHBondContact O-N 2.9Š|
| 727 | E | 52 | Low | 46.5 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -18.4 | 179.8 | -163 | 161.5 | -123.3 | 0 | 0 | 112.4 | G725 N731 | G725-E727 PolarHBondContact O-N 3.09Å; E727-N731 PolarHBondContact O-ND2 3.02Å |
| 728 | E | 55.9 | Low | 46.2 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 54% | 0.537 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -45.9 | 179.3 | -61.5 | 169.8 | 153.1 | 0 | 0 | 110.5 | G725 L730 N731 | G725-E728 WeakPolarHBondContact CA-OE2 3.34Å; G725-E728 PolarHBondContact N-OE2 3.5Å; G725-E728 WeakPolarHBondContact O-CB 3.4Å; G725-E728 PolarHBondContact O-N 3.31Å; E728-L730 PolarHBondContact O-N 3.48Å; E728-L730 VanDerWaalsContact O-N 3.11Å; E728-N731 PolarHBondContact O-N 3.22Å; E728-N731 VanDerWaalsContact O-N 3.11Å |
| 729 | F | 48.6 | Very low | 45.7 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -20.9 | -177.3 | -163.9 | -94.9 | 0 | 0 | 0 | 114.6 | G725 T733 | G725-F729 PolarHBondContact O-N 2.73Å; F729-T733 PolarHBondContact O-OG1 3.21Å; F729-T733 VanDerWaalsContact O-OG1 3.06Å |
| 730 | L | 52.2 | Low | 44.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 61% | 0.613 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -11.4 | 179.7 | -76.1 | 168.6 | 0 | 0 | 0 | 114 | E728 | E728-L730 PolarHBondContact O-N 3.48Å; E728-L730 VanDerWaalsContact O-N 3.11Å |
| 731 | N | 47.6 | Very low | 44.1 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -8.6 | -178.1 | -64.2 | -27 | 0 | 0 | 0 | 113.3 | E727 E728 | E727-N731 PolarHBondContact O-ND2 3.02Å; E728-N731 PolarHBondContact O-N 3.22Å; E728-N731 VanDerWaalsContact O-N 3.11Å |
| 732 | E | 51.3 | Low | 43.2 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -109.2 | -2 | -173.9 | -162.4 | 168.4 | -150.2 | 0 | 0 | 113.1 | ||
| 733 | T | 42.1 | Very low | 42.4 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 54% | 0.54 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -120.1 | 6.1 | -169.6 | 48.7 | 0 | 0 | 0 | 0 | 115.4 | F729 | F729-T733 PolarHBondContact O-OG1 3.21Å; F729-T733 VanDerWaalsContact O-OG1 3.06Å |
| 734 | T | 42.8 | Very low | 42 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | trans | -119 | 121.6 | 178.6 | 41.4 | 0 | 0 | 0 | 0 | 112.2 | N736 | T734-N736 PolarHBondContact O-N 3.24Š| ||
| 735 | P | 40 | Very low | 41.5 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -72.8 | 127.3 | 170.5 | 29.6 | -32.3 | 0 | 0 | 0 | 110.2 | V737 | P735-V737 PolarHBondContact O-N 3.01Š| ||
| 736 | N | 34.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 123.7 | 176 | -80.2 | -46.6 | 0 | 0 | 0 | 111.2 | T734 | T734-N736 PolarHBondContact O-N 3.24Š| ||
| 737 | V | 38.7 | Very low | 41 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 87% | 0.873 | 73% | 0.726 | S | S | * | * | trans | -119.6 | 93.2 | 158.9 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | P735 | P735-V737 PolarHBondContact O-N 3.01Š| ||
| 738 | S | 30.1 | Very low | 40.4 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | -91.6 | 123.7 | 173.6 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 739 | N | 35.7 | Very low | 39.3 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 179.3 | 101.5 | 152.8 | -90.9 | -16.8 | 0 | 0 | 0 | 107.4 | ||||
| 740 | T | 31.5 | Very low | 38.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | 89.5 | 147.4 | 78.1 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 741 | V | 35.5 | Very low | 38 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | 78.2 | 84.4 | 172.4 | -160 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 742 | D | 34.1 | Very low | 37.3 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 32.9 | 123.7 | 123.5 | -58 | -63.8 | 0 | 0 | 0 | 123.6 | |||||
| 743 | A | 31.8 | Very low | 36.4 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | 81.8 | 161.6 | 127.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 744 | C | 35.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 107.8 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 745 | I | 40.1 | Very low | 35.7 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 83.8 | 117.8 | 62 | -70.4 | 165.8 | 0 | 0 | 0 | 111.7 | |||||
| 746 | E | 38.9 | Very low | 35.3 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 39.8 | 145.4 | 142.2 | -58.5 | 159.5 | -175.6 | 0 | 0 | 119.1 | ||||
| 747 | D | 41.2 | Very low | 35.4 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -158.6 | -176.3 | 28 | -147.7 | -7.2 | 0 | 0 | 0 | 114.1 | ||||
| 748 | D | 40.9 | Very low | 35 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -17.9 | 156.2 | 167 | -84.4 | -24.7 | 0 | 0 | 0 | 121 | ||||
| 749 | G | 32.9 | Very low | 35.4 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 157.4 | 79.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 750 | A | 37.6 | Very low | 35.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 40.7 | 146.3 | 145 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 751 | E | 35.1 | Very low | 35.5 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -49.6 | 133.8 | 177.5 | -59.7 | 168.8 | 103.4 | 0 | 0 | 117.5 | ||||
| 752 | F | 32.9 | Very low | 35.5 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 147.6 | 139.4 | -131.5 | -103.2 | 0 | 0 | 0 | 107 | ||||
| 753 | G | 33.5 | Very low | 35.5 | Very low | 52 Ų | 52 | 149.1 Ų | 149.1 | 54% | 0.536 | 79% | 0.793 | S | S | . | * | cis | 139.2 | 117.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | L755 | G753-L755 PolarHBondContact O-N 3.06Š| ||
| 754 | A | 31.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -65 | 124.5 | -152.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 755 | L | 37.3 | Very low | 35.5 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -135.4 | 120.2 | 154 | -67.1 | 174.4 | 0 | 0 | 0 | 106.6 | G753 | G753-L755 PolarHBondContact O-N 3.06Š| ||
| 756 | L | 32.7 | Very low | 35.5 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | cis | 73.7 | 148.9 | 44 | -154.8 | 75.4 | 0 | 0 | 0 | 113.1 | ||||
| 757 | M | 35 | Very low | 35.3 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 84.5 | 81.4 | 175.2 | -57.7 | -77.1 | 96.5 | 0 | 0 | 118.1 | ||||
| 758 | S | 31.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | 23.8 | 112.5 | 119.5 | -51.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 759 | R | 39.1 | Very low | 34.7 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 76.5 | 165.6 | -143.5 | 171.7 | -158.5 | -171.9 | 6.3 | 115.3 | R761 | R759-R761 PolarHBondContact O-N 2.92Š| ||
| 760 | K | 32.8 | Very low | 34.6 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 95.5 | 171.9 | -172.9 | 173.4 | -173.8 | 168.7 | 0 | 111.4 | ||||
| 761 | R | 34.8 | Very low | 34.6 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -119.9 | 117.3 | 162.7 | -77.4 | -178.1 | 162.6 | -166.8 | -6.6 | 106.8 | R759 | R759-R761 PolarHBondContact O-N 2.92Š| ||
| 762 | R | 35.7 | Very low | 34.7 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | 79.6 | 92.6 | 20.5 | -131 | -172.6 | -162.9 | -173 | 5.3 | 114.1 | ||||
| 763 | K | 34.4 | Very low | 35.2 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 69.1 | 153.6 | 170 | -58.5 | -166.4 | 176 | -168.3 | 0 | 113.5 | ||||
| 764 | I | 37 | Very low | 35.6 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | cis | -129.3 | 157 | 30.2 | -67.1 | 149.5 | 0 | 0 | 0 | 111.7 | ||||
| 765 | S | 30.7 | Very low | 35.9 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | trans | -105.5 | 145.5 | 167.8 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | V767 | S765-V767 PolarHBondContact O-N 3.13Š| ||
| 766 | P | 41.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -69 | 124.1 | 158.1 | 30.2 | -31 | 0 | 0 | 0 | 108.8 | ||||
| 767 | V | 33.3 | Very low | 35.8 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -91.7 | 101.6 | 170.4 | 175 | 0 | 0 | 0 | 0 | 107.9 | S765 | S765-V767 PolarHBondContact O-N 3.13Š| ||
| 768 | C | 34.4 | Very low | 35.8 | Very low | 114 Ų | 114 | 151 Ų | 151 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -100.2 | 102.1 | 167.1 | -73.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 769 | T | 36.2 | Very low | 36 | Very low | 100 Ų | 100 | 151.9 Ų | 151.9 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | trans | 13.6 | 128 | 154.6 | 54.3 | 0 | 0 | 0 | 0 | 119.4 | T771 | T769-T771 PolarHBondContact O-N 2.89Š| ||
| 770 | P | 30.7 | Very low | 35.5 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -76 | 83.4 | 172.7 | 33.3 | -35 | 0 | 0 | 0 | 111.6 | ||||
| 771 | T | 36.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84 | 132 | 170.8 | -29 | 0 | 0 | 0 | 0 | 109.5 | T769 | T769-T771 PolarHBondContact O-N 2.89Š|
| 772 | Q | 37.1 | Very low | 35.4 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 144.7 | -165.5 | -64.1 | 171.6 | -40.6 | 0 | 0 | 114.9 | ||
| 773 | P | 44 | Very low | 35.5 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.2 | 155.3 | 30.6 | -33.5 | 0 | 0 | 0 | 109 | V775 | P773-V775 PolarHBondContact O-N 3.15Š|
| 774 | P | 41.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -63.7 | 112.4 | 178.6 | 25.6 | -33.3 | 0 | 0 | 0 | 110.1 | F776 | P774-F776 HydrophobicContact CG-CE2 4.44Å; P774-F776 PolarHBondContact O-N 3.24Å | ||
| 775 | V | 38.2 | Very low | 35.5 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 91.7 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | P773 R777 | P773-V775 PolarHBondContact O-N 3.15Å; V775-R777 HydrophobicContact CG1-CG 3.97Å; V775-R777 PolarHBondContact O-N 2.87Å | ||
| 776 | F | 35.8 | Very low | 35.8 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -65.8 | 86.2 | 162.8 | -79.6 | -76.6 | 0 | 0 | 0 | 109.2 | P774 L778 | P774-F776 HydrophobicContact CG-CE2 4.44Å; P774-F776 PolarHBondContact O-N 3.24Å; F776-L778 PolarHBondContact O-N 3.06Å | ||
| 777 | R | 32.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -60.7 | 122.6 | 169.1 | -72.9 | -174.7 | 171.2 | 165.9 | -2.3 | 108.5 | V775 N779 | V775-R777 HydrophobicContact CG1-CG 3.97Å; V775-R777 PolarHBondContact O-N 2.87Å; R777-N779 WeakPolarHBondContact CB-OD1 3.35Å; R777-N779 PolarHBondContact O-N 3.04Å | ||
| 778 | L | 33.5 | Very low | 35.8 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | -65.5 | 83.5 | 159 | -81.3 | 163.2 | 0 | 0 | 0 | 108.2 | F776 T780 | F776-L778 PolarHBondContact O-N 3.06Å; L778-T780 PolarHBondContact O-N 3.32Å; L778-T780 VanDerWaalsContact O-N 3.13Å | ||
| 779 | N | 35.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -72.8 | 102.6 | 171.1 | -84.8 | 8.5 | 0 | 0 | 0 | 108.4 | R777 L781 | R777-N779 WeakPolarHBondContact CB-OD1 3.35Å; R777-N779 PolarHBondContact O-N 3.04Å; N779-L781 PolarHBondContact O-N 3.3Å; N779-L781 VanDerWaalsContact O-N 3.14Å | ||
| 780 | T | 30.4 | Very low | 35.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -49.5 | 113.1 | 172.5 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | L778 A782 | L778-T780 PolarHBondContact O-N 3.32Å; L778-T780 VanDerWaalsContact O-N 3.13Å; T780-A782 HydrophobicContact CG2-CB 4.45Å | ||
| 781 | L | 34.8 | Very low | 36.3 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -87.7 | 99 | 155.9 | -88.8 | 169.5 | 0 | 0 | 0 | 108 | N779 | N779-L781 PolarHBondContact O-N 3.3Å; N779-L781 VanDerWaalsContact O-N 3.14Å | ||
| 782 | A | 30.4 | Very low | 36.3 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | trans | -74.6 | 135.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T780 | T780-A782 HydrophobicContact CG2-CB 4.45Š| ||
| 783 | V | 38.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -114.3 | 127 | 163.8 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 784 | T | 31.8 | Very low | 36 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | -111.3 | 123.5 | -161.2 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 785 | T | 38 | Very low | 35.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -168.8 | 140.4 | 158.4 | 33.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 786 | T | 37.8 | Very low | 35.8 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -151 | 158.7 | -19.9 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 787 | M | 36.2 | Very low | 35.7 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -66.2 | -178.8 | 174.5 | -67.4 | -92 | 84 | 0 | 0 | 113.4 | ||||
| 788 | P | 37.7 | Very low | 35.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -142.4 | 159.9 | 8.3 | 37.7 | -17 | 0 | 0 | 0 | 119.8 | ||||
| 789 | A | 33.5 | Very low | 35.6 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | 57.9 | 164 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 790 | T | 38.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -151.3 | 149.1 | 26.5 | 40.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 791 | T | 40.6 | Very low | 35.7 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 61.1 | 148.9 | 149.6 | 53.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 792 | N | 36.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | cis | -148.2 | 136.2 | 8.2 | -123 | -2.3 | 0 | 0 | 0 | 113 | ||||
| 793 | I | 39 | Very low | 36.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | 34.2 | 120.7 | 128 | -56.5 | 175.2 | 0 | 0 | 0 | 116.9 | |||||
| 794 | H | 36.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | -159.5 | 167.4 | 71.5 | -156.4 | -88.5 | 0 | 0 | 0 | 115.5 | |||||
| 795 | H | 36.5 | Very low | 36.4 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | trans | -64.8 | 170.2 | 167.6 | -50.7 | -100.7 | 0 | 0 | 0 | 112.1 | ||||
| 796 | Q | 37.1 | Very low | 36.2 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | cis | -159.4 | 161.5 | 23.2 | -151.9 | 150.6 | 19.3 | 0 | 0 | 115.5 | ||||
| 797 | V | 33.6 | Very low | 36.2 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -58.8 | 154 | 170 | 165.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 798 | S | 30.9 | Very low | 36.2 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 95.8 | 138.3 | 150.3 | -94.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 799 | T | 34.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 60.4 | 127.1 | 145.4 | 53.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 800 | G | 33.6 | Very low | 36.4 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | 119.5 | 109.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 801 | S | 32.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -69 | 161 | 133.6 | -74.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 802 | P | 45.2 | Very low | 36.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | cis | -139.2 | -179.5 | 23.2 | 38.1 | -17.7 | 0 | 0 | 0 | 115.2 | ||||
| 803 | N | 38.1 | Very low | 36.3 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | 179.2 | 157.4 | 108.8 | -93.9 | -44.1 | 0 | 0 | 0 | 113.9 | |||||
| 804 | S | 32.1 | Very low | 36.1 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -92 | 159.3 | 172.7 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 805 | R | 34.5 | Very low | 35.7 | Very low | 220 Ų | 220 | 128.7 Ų | 128.7 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | 70.4 | 155.4 | 157.3 | -76.9 | 174.6 | 179.4 | 156.3 | 0.8 | 115.1 | ||||
| 806 | D | 35.1 | Very low | 35.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | cis | -155.7 | 162.8 | 4.6 | -124.8 | -27.7 | 0 | 0 | 0 | 111.3 | ||||
| 807 | L | 37.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | 63 | 163.2 | 154.9 | -62.4 | 164.9 | 0 | 0 | 0 | 117.5 | ||||
| 808 | S | 36.6 | Very low | 35.4 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | -166.3 | 150.7 | -25 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 809 | G | 37.6 | Very low | 35.6 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | 81.6 | 171.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 810 | N | 36.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | cis | 168.8 | 122.1 | -38.5 | -100.1 | 7.3 | 0 | 0 | 0 | 107.9 | ||||
| 811 | H | 37.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | 55.5 | 100.7 | 148.8 | -58.4 | -65.3 | 0 | 0 | 0 | 123.4 | ||||
| 812 | T | 36.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | 63.6 | -174.9 | 127.6 | 67.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 813 | P | 40.7 | Very low | 34.7 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | cis | -130.8 | -177.8 | -21.7 | 25.6 | -2.6 | 0 | 0 | 0 | 114.4 | ||||
| 814 | Y | 33.9 | Very low | 34.6 | Very low | 224 Ų | 224 | 130.2 Ų | 130.2 | 88% | 0.878 | 72% | 0.723 | S | S | * | * | trans | 56.9 | 162.1 | 163.6 | -68.1 | -75.9 | 0 | 0 | 0 | 117.7 | ||||
| 815 | S | 29.3 | Very low | 34.8 | Very low | 80 Ų | 80 | 133 Ų | 133 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | cis | 161.7 | 159.8 | -25.9 | -179.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 816 | F | 34.8 | Very low | 34.8 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | trans | 64.8 | 146.4 | -169.4 | -49.7 | -88.3 | 0 | 0 | 0 | 113.3 | ||||
| 817 | G | 31 | Very low | 35 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | cis | 166 | 164.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 818 | S | 34.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 60 | 120.5 | 160.8 | 44.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 819 | N | 35 | Very low | 34.9 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | 74.9 | 113.8 | 129.5 | -55 | -9.4 | 0 | 0 | 0 | 121 | |||||
| 820 | N | 31.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | 38.5 | 154.2 | 112.9 | -60.8 | -8.3 | 0 | 0 | 0 | 121.8 | |||||
| 821 | F | 31.9 | Very low | 35.3 | Very low | 189 Ų | 189 | 136 Ų | 136 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | trans | 80.3 | 144.1 | 170.9 | -64 | -90.3 | 0 | 0 | 0 | 116.2 | ||||
| 822 | V | 32.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | cis | -168.4 | 175 | -32.7 | 102.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 823 | A | 32.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | trans | 80.4 | 154.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 824 | D | 35.7 | Very low | 35.3 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 72.8 | 134.6 | 145.6 | -58.2 | -17.4 | 0 | 0 | 0 | 121.5 | ||||
| 825 | H | 36.9 | Very low | 35.4 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | cis | -154.4 | 141.1 | -1 | -121.8 | 13.7 | 0 | 0 | 0 | 112.5 | ||||
| 826 | L | 33.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 35.9 | 157.8 | 137.7 | -59.8 | 173.5 | 0 | 0 | 0 | 124.2 | ||||
| 827 | I | 40.3 | Very low | 35.8 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 101.7 | 120.8 | 166.4 | -61.4 | 173.2 | 0 | 0 | 0 | 113 | ||||
| 828 | N | 40.3 | Very low | 36 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | cis | -149.1 | 169.2 | -1.9 | -149.4 | -12.4 | 0 | 0 | 0 | 112.8 | ||||
| 829 | A | 31.3 | Very low | 36 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -154.7 | 154.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 830 | P | 47.7 | Very low | 36.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -123.6 | 127.2 | 155.5 | 34.1 | -21.7 | 0 | 0 | 0 | 112.6 | ||||
| 831 | K | 35.9 | Very low | 36.4 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | trans | -78.5 | 152.1 | 172.7 | -64.2 | 177.2 | 178.9 | 178 | 0 | 111.3 | ||||
| 832 | R | 41 | Very low | 36.5 | Very low | 256 Ų | 256 | 135.5 Ų | 135.5 | 97% | 0.966 | 75% | 0.749 | S | S | * | * | trans | -124 | 156.4 | 145.5 | -83 | -173.2 | 169.6 | 157.5 | -1.4 | 109.5 | ||||
| 833 | N | 33.2 | Very low | 36.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -139.7 | 146.3 | -157.4 | 179.4 | 27.9 | 0 | 0 | 0 | 109.5 | ||||
| 834 | I | 39.7 | Very low | 36.8 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -167.7 | 132.9 | 157.1 | -97.3 | 142.8 | 0 | 0 | 0 | 108.9 | ||||
| 835 | N | 35.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | 1.6 | 149.9 | 156.6 | -51.5 | -8.5 | 0 | 0 | 0 | 119.4 | ||||
| 836 | C | 35.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -140.8 | 132.8 | 46.6 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 837 | I | 36.5 | Very low | 36.8 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | 75.4 | 106.7 | 84 | -63.1 | 165.6 | 0 | 0 | 0 | 114.5 | |||||
| 838 | S | 35.5 | Very low | 36.6 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | 62.1 | 147.8 | 151.3 | -69.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 839 | N | 35.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | cis | -153.8 | 154.3 | 2.7 | -128 | 24.2 | 0 | 0 | 0 | 113.6 | ||||
| 840 | S | 37.2 | Very low | 36.5 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | 32.2 | 111.8 | 151.3 | 56.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 841 | N | 36.2 | Very low | 36 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | 73.8 | 126.5 | 86.3 | -61.3 | -6.6 | 0 | 0 | 0 | 113.6 | |||||
| 842 | S | 34.4 | Very low | 36.1 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | 71.3 | 91.7 | 46.3 | -179.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 843 | S | 38.7 | Very low | 35.9 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | 170.6 | 137.1 | 119.8 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 844 | D | 32.6 | Very low | 36.2 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -73.1 | 129.5 | 163.5 | -57.5 | -77.2 | 0 | 0 | 0 | 110.7 | ||||
| 845 | Y | 36.2 | Very low | 36.2 | Very low | 213 Ų | 213 | 126.6 Ų | 126.6 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -158.1 | 103 | 152.8 | -111 | -73.4 | 0 | 0 | 0 | 112.9 | ||||
| 846 | S | 34.6 | Very low | 36.4 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | 61.8 | 136.1 | 139.9 | 69.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 847 | T | 35.7 | Very low | 36.5 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | 90.1 | 117.9 | 146.6 | -26.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 848 | L | 34.8 | Very low | 36.7 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 15.6 | 143.1 | 141.5 | -49.3 | 167.9 | 0 | 0 | 0 | 118.3 | ||||
| 849 | D | 33.8 | Very low | 36.8 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | -171.3 | 162.6 | 48.2 | -132.9 | -34.5 | 0 | 0 | 0 | 113.6 | ||||
| 850 | T | 35.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 63.8 | 140 | 160 | -53.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 851 | T | 39 | Very low | 36.9 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -149.7 | 126.3 | 19.4 | -5.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 852 | I | 37.8 | Very low | 37 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | 65.6 | 120.6 | 87.8 | -63.9 | 176.7 | 0 | 0 | 0 | 116.9 | |||||
| 853 | S | 36.9 | Very low | 37 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | 95.2 | 122.9 | 149.6 | -77.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 854 | T | 39 | Very low | 36.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | 65.6 | 143.4 | 140.5 | 54.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 855 | T | 39.4 | Very low | 36.8 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -170.5 | 164.9 | 2.5 | 19.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 856 | A | 39.6 | Very low | 36.9 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | cis | -174.5 | -171.7 | -21.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 857 | N | 38.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | 81.8 | 112.1 | -177.3 | -46.6 | -18.5 | 0 | 0 | 0 | 113.3 | ||||
| 858 | T | 39.1 | Very low | 37.3 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | cis | 69.7 | 142.3 | 30.1 | 88.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 859 | T | 38.6 | Very low | 37.8 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | cis | -161.2 | 156.8 | 25.2 | -31.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 860 | S | 37.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 63.4 | 154.9 | 148.3 | 44.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 861 | S | 37.5 | Very low | 38 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -177.2 | 162.4 | -20.1 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 862 | T | 37.4 | Very low | 38 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 83.3 | 128.4 | 154.2 | -42.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 863 | T | 34.2 | Very low | 37.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | cis | 123.7 | 148.1 | 2 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 864 | I | 37.6 | Very low | 38 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | 80.8 | 125.7 | 176.1 | -43.4 | 179.1 | 0 | 0 | 0 | 115 | I866 | I864-I866 HydrophobicContact CG2-CG1 4.47Š| ||
| 865 | S | 29.6 | Very low | 38.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | cis | 96.5 | 87.1 | -0.6 | -40.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 866 | I | 39.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -150.4 | 119.9 | 161.6 | -59.4 | -173.9 | 0 | 0 | 0 | 105.7 | I864 | I864-I866 HydrophobicContact CG2-CG1 4.47Š| ||
| 867 | S | 38.6 | Very low | 38 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 78.7 | 141.5 | 61.6 | -55 | 0 | 0 | 0 | 0 | 115 | |||||
| 868 | D | 39.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -150.4 | -129.6 | -25.7 | -164.5 | 20.1 | 0 | 0 | 0 | 111.3 | ||||
| 869 | P | 43.9 | Very low | 37.7 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 54% | 0.539 | 76% | 0.761 | S | S | . | * | trans | -137.9 | 166.2 | -138.9 | 45.3 | -25.3 | 0 | 0 | 0 | 121.5 | ||||
| 870 | K | 35.9 | Very low | 37.6 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 74.2 | 167.2 | 142 | -78.4 | 162.8 | -176.6 | 170.8 | 0 | 122 | ||||
| 871 | Q | 37.6 | Very low | 37.6 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | 73.5 | 144 | 172.7 | -74.2 | 178.7 | -16.8 | 0 | 0 | 116.7 | ||||
| 872 | S | 39.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -153.1 | 172.2 | -5.8 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 873 | D | 36 | Very low | 37.4 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -60 | 154.9 | -175.5 | -47.4 | -99.4 | 0 | 0 | 0 | 116.1 | ||||
| 874 | M | 40 | Very low | 37.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | -178.1 | 113.2 | 120.2 | -98.7 | 176.1 | 68 | 0 | 0 | 115.3 | |||||
| 875 | I | 39.5 | Very low | 36.9 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | 44.6 | 102.6 | 128 | -49.9 | 171 | 0 | 0 | 0 | 119 | |||||
| 876 | N | 40 | Very low | 37 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | -178.6 | 138.6 | 108.4 | -108.9 | -47.6 | 0 | 0 | 0 | 118 | |||||
| 877 | N | 37.1 | Very low | 36.7 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -28 | 138.4 | 164 | -58.2 | -77.9 | 0 | 0 | 0 | 120.6 | ||||
| 878 | C | 37.1 | Very low | 36.3 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | -166.3 | 127 | 108.4 | -115.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 879 | K | 34.5 | Very low | 36.3 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -38.4 | 153.6 | -176.1 | -64.6 | 169.4 | 176 | 177.3 | 0 | 121.9 | ||||
| 880 | P | 37.4 | Very low | 35.8 | Very low | 130 Ų | 130 | 144 Ų | 144 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -105.1 | -179.6 | 164.6 | 41.8 | -35 | 0 | 0 | 0 | 114.8 | ||||
| 881 | S | 37 | Very low | 35.9 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -148.3 | 119.7 | 165.9 | -166.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 882 | V | 36.9 | Very low | 35.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 34.2 | 140.4 | 80.7 | -85.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 883 | F | 33.1 | Very low | 35.7 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | cis | -144.5 | 176.1 | 11.4 | -90.5 | -60.9 | 0 | 0 | 0 | 108.9 | ||||
| 884 | T | 33.7 | Very low | 35.7 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | cis | -158.7 | 169.1 | 0.3 | -122.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 885 | T | 29.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -111.6 | 139.2 | 175.4 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 886 | C | 30.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -162.3 | 160.7 | 156.5 | -93.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 887 | S | 32.9 | Very low | 34.9 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | cis | -177.4 | 147.6 | -41.3 | -99.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 888 | V | 31.2 | Very low | 35 | Very low | 141 Ų | 141 | 145 Ų | 145 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -81.2 | 135.2 | -170.2 | 176.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 889 | V | 38.5 | Very low | 35.1 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -139.6 | 142.6 | 156.9 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 890 | K | 34.9 | Very low | 35.2 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -108.4 | 165.2 | 177.3 | -106.6 | -167.3 | 174.1 | -175.8 | 0 | 111.7 | ||||
| 891 | P | 37.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -90.3 | 168.3 | -151 | 36.3 | -39.8 | 0 | 0 | 0 | 116.1 | ||||
| 892 | I | 35.9 | Very low | 35.3 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -130.8 | 137.3 | 165.2 | -62.7 | 179.6 | 0 | 0 | 0 | 108.8 | ||||
| 893 | H | 36.6 | Very low | 35.2 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -77 | 142.5 | 172.7 | -79.5 | -114.8 | 0 | 0 | 0 | 111.7 | ||||
| 894 | Q | 35.5 | Very low | 35.5 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -160.7 | -179.8 | 138 | -113.4 | 165.9 | 39 | 0 | 0 | 112.9 | ||||
| 895 | S | 31.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -108.7 | 171.5 | -149.5 | -160.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 896 | Q | 34.9 | Very low | 36.3 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -29.7 | 134.3 | 171.8 | -58.7 | 166.8 | -10 | 0 | 0 | 116.1 | ||||
| 897 | F | 36.1 | Very low | 36.4 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | -168 | 168.8 | 120.5 | -94.6 | -63.3 | 0 | 0 | 0 | 109.4 | |||||
| 898 | A | 38.6 | Very low | 36.7 | Very low | 91 Ų | 91 | 153.5 Ų | 153.5 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -134.8 | -174.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 899 | P | 39.3 | Very low | 37 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -120.4 | 175.3 | -43.8 | 37.1 | -25.1 | 0 | 0 | 0 | 111.4 | ||||
| 900 | L | 37 | Very low | 36.8 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 140.5 | 157.4 | -115.3 | 166 | 0 | 0 | 0 | 113.2 | ||||
| 901 | H | 35.4 | Very low | 36.9 | Very low | 159 Ų | 159 | 147 Ų | 147 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -86 | 142.5 | 171.2 | -96.3 | -98.5 | 0 | 0 | 0 | 110.9 | ||||
| 902 | V | 41.5 | Very low | 36.9 | Very low | 130 Ų | 130 | 149 Ų | 149 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -133.7 | 122.9 | 157.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 903 | F | 34.1 | Very low | 36.8 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -94.1 | 136.3 | 170 | -87.5 | -93.5 | 0 | 0 | 0 | 109.5 | ||||
| 904 | N | 40.4 | Very low | 37.1 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -114.9 | 126.9 | 159.8 | -82.9 | -15.5 | 0 | 0 | 0 | 109.5 | ||||
| 905 | R | 33.5 | Very low | 37.3 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -119.9 | 137.3 | 165.6 | -80.2 | -173.8 | 172.7 | -164.7 | -1 | 108.5 | ||||
| 906 | P | 45.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 150.8 | 156.5 | 33.9 | -31.4 | 0 | 0 | 0 | 110.5 | ||||
| 907 | S | 34.3 | Very low | 37.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -158.6 | 133.3 | 174.5 | 57 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 908 | V | 37.8 | Very low | 37.4 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -170.1 | 153.7 | 159.7 | 129.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 909 | A | 38.6 | Very low | 37.2 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | 13.7 | 127.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 910 | V | 33.3 | Very low | 36.9 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | 69.2 | 102.3 | 41.3 | -172.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 911 | S | 38 | Very low | 36.8 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -162.4 | 149.4 | 143.1 | -86.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 912 | D | 36.7 | Very low | 36.7 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -87.2 | 157.6 | -165 | -48.3 | -88.1 | 0 | 0 | 0 | 114.7 | ||||
| 913 | S | 34.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 170.9 | 115.7 | 123.1 | -167.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 914 | I | 43.3 | Very low | 36.4 | Very low | 144 Ų | 144 | 135 Ų | 135 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 108 | 137.7 | -67.5 | 176.6 | 0 | 0 | 0 | 120.1 | ||||
| 915 | D | 38.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 93.9 | 120.6 | 133.1 | -79.2 | 31.5 | 0 | 0 | 0 | 125 | ||||
| 916 | N | 34.6 | Very low | 37.1 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | trans | 68.6 | 122.2 | 137.3 | -56 | -26.7 | 0 | 0 | 0 | 119.9 | ||||
| 917 | T | 34.8 | Very low | 37.1 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | cis | -158.8 | 160.3 | -7.1 | -9 | 0 | 0 | 0 | 0 | 112 | ||||
| 918 | T | 34.9 | Very low | 37.8 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -19.4 | 148.3 | 156.2 | 54.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 919 | T | 36.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | cis | -162.4 | 164.3 | 12.4 | -0.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 920 | M | 31.8 | Very low | 38.9 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 80% | 0.803 | 71% | 0.712 | S | S | * | * | trans | -58.2 | 147.3 | 165.8 | -70.8 | -102.6 | -71.6 | 0 | 0 | 113.9 | ||||
| 921 | N | 35.9 | Very low | 40.2 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | -173 | 153.5 | 117.8 | -96.7 | -32 | 0 | 0 | 0 | 114.1 | |||||
| 922 | S | 31.6 | Very low | 41 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -90.9 | 129.1 | -175.6 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 923 | S | 32.8 | Very low | 42.1 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -177.4 | 110.7 | 150.8 | -86.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 924 | Q | 38 | Very low | 43.5 | Very low | 163 Ų | 163 | 120.5 Ų | 120.5 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | -134.6 | 0.5 | 165.1 | -75.6 | -157.3 | 1.1 | 0 | 0 | 115.5 | N926 S927 | Q924-N926 PolarHBondContact O-N 3.16Å; Q924-S927 PolarHBondContact O-N 3.39Å; Q924-S927 PolarHBondContact O-OG 2.83Å; Q924-S927 VanDerWaalsContact O-OG 3.05Å | ||
| 925 | S | 44 | Very low | 44.6 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -6.2 | 179.7 | -42.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 926 | N | 43 | Very low | 45.6 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -16.8 | 178.8 | -74.6 | -21.5 | 0 | 0 | 0 | 114.4 | Q924 C929 I930 | Q924-N926 PolarHBondContact O-N 3.16Å; N926-C929 PolarHBondContact O-N 3.23Å; N926-I930 WeakPolarHBondContact O-CG1 3.31Å; N926-I930 PolarHBondContact O-N 2.97Å |
| 927 | S | 46.3 | Very low | 46.9 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 44% | 0.441 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -66.1 | -43.6 | -175.3 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | Q924 C929 I930 A931 | Q924-S927 PolarHBondContact O-N 3.39Å; Q924-S927 PolarHBondContact O-OG 2.83Å; Q924-S927 VanDerWaalsContact O-OG 3.05Å; S927-C929 PolarHBondContact O-N 3.01Å; S927-I930 PolarHBondContact O-N 2.9Å; S927-A931 WeakPolarHBondContact O-CB 3.49Å; S927-A931 PolarHBondContact O-N 3.42Å |
| 928 | I | 48.8 | Very low | 47.3 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.6 | -42.6 | 177.4 | -70 | 173.1 | 0 | 0 | 0 | 111.4 | I930 A931 L932 | I928-I930 VanDerWaalsContact C-N 3.32Å; I928-I930 PolarHBondContact O-N 3.24Å; I928-A931 PolarHBondContact O-N 3.16Å; I928-L932 HydrophobicContact CG2-CD1 3.89Å; I928-L932 HydrophobicContact CG2-CG 4.43Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.32Å; I928-L932 WeakPolarHBondContact O-CG 3.36Å; I928-L932 PolarHBondContact O-N 3.05Å |
| 929 | C | 45.6 | Very low | 47.6 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 49% | 0.493 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.9 | -30.3 | 178.8 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | N926 S927 R933 | N926-C929 PolarHBondContact O-N 3.23Å; S927-C929 PolarHBondContact O-N 3.01Å; C929-R933 WeakPolarHBondContact O-CG 3.38Å; C929-R933 PolarHBondContact O-N 3.21Å |
| 930 | I | 55 | Low | 47.8 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -75.5 | -45.2 | 174.6 | -66.3 | 168.2 | 0 | 0 | 0 | 110.3 | N926 S927 I928 L932 R933 Q934 | N926-I930 WeakPolarHBondContact O-CG1 3.31Å; N926-I930 PolarHBondContact O-N 2.97Å; S927-I930 PolarHBondContact O-N 2.9Å; I928-I930 VanDerWaalsContact C-N 3.32Å; I928-I930 PolarHBondContact O-N 3.24Å; I930-L932 VanDerWaalsContact C-N 3.34Å; I930-L932 PolarHBondContact O-N 3.31Å; I930-R933 PolarHBondContact O-N 3.07Å; I930-R933 VanDerWaalsContact O-N 3.12Å; I930-Q934 PolarHBondContact O-N 2.93Å |
| 931 | A | 59.3 | Low | 48.2 | Very low | 53 Ų | 53 | 123.1 Ų | 123.1 | 44% | 0.438 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -59.9 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S927 I928 Q934 R935 | S927-A931 WeakPolarHBondContact O-CB 3.49Å; S927-A931 PolarHBondContact O-N 3.42Å; I928-A931 PolarHBondContact O-N 3.16Å; A931-Q934 PolarHBondContact O-N 3.32Å; A931-R935 VanDerWaalsContact O-CB 3.31Å; A931-R935 WeakPolarHBondContact O-CB 3.15Å; A931-R935 PolarHBondContact O-N 3.3Å |
| 932 | L | 56.1 | Low | 48.2 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 49% | 0.492 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -64.5 | -37.8 | 174.2 | -74.8 | 170.3 | 0 | 0 | 0 | 112.3 | I928 I930 R935 L936 | I928-L932 HydrophobicContact CG2-CD1 3.89Å; I928-L932 HydrophobicContact CG2-CG 4.43Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.32Å; I928-L932 WeakPolarHBondContact O-CG 3.36Å; I928-L932 PolarHBondContact O-N 3.05Å; I930-L932 VanDerWaalsContact C-N 3.34Å; I930-L932 PolarHBondContact O-N 3.31Å; L932-R935 PolarHBondContact O-N 3.47Å; L932-L936 VanDerWaalsContact O-CB 3.31Å; L932-L936 WeakPolarHBondContact O-CB 3.45Å; L932-L936 VanDerWaalsContact O-CG 3.25Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.32Å |
| 933 | R | 58.9 | Low | 48.4 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.5 | -45.6 | 174.2 | -78.2 | -177 | -179.9 | -159.2 | 0.6 | 112.3 | C929 I930 R935 L936 F937 | C929-R933 WeakPolarHBondContact O-CG 3.38Å; C929-R933 PolarHBondContact O-N 3.21Å; I930-R933 PolarHBondContact O-N 3.07Å; I930-R933 VanDerWaalsContact O-N 3.12Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.85Å; R933-L936 PolarHBondContact O-N 3.45Å; R933-F937 PolarHBondContact O-N 3.29Å |
| 934 | Q | 63.3 | Low | 48.5 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 66% | 0.659 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.2 | -36.4 | 176.6 | -73 | 177.6 | -26.9 | 0 | 0 | 112 | I930 A931 | I930-Q934 PolarHBondContact O-N 2.93Å; A931-Q934 PolarHBondContact O-N 3.32Å |
| 935 | R | 67.6 | Low | 48.3 | Very low | 224 Ų | 224 | 126.2 Ų | 126.2 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.8 | -24.2 | 178.7 | -163.7 | 170.5 | -174.1 | 136.6 | -0 | 114.4 | A931 L932 R933 | A931-R935 VanDerWaalsContact O-CB 3.31Å; A931-R935 WeakPolarHBondContact O-CB 3.15Å; A931-R935 PolarHBondContact O-N 3.3Å; L932-R935 PolarHBondContact O-N 3.47Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.85Å |
| 936 | L | 59.5 | Low | 47.8 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -96.5 | -24.2 | -179.7 | -71.1 | 170.5 | 0 | 0 | 0 | 114.2 | L932 R933 | L932-L936 VanDerWaalsContact O-CB 3.31Å; L932-L936 WeakPolarHBondContact O-CB 3.45Å; L932-L936 VanDerWaalsContact O-CG 3.25Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.32Å; R933-L936 PolarHBondContact O-N 3.45Å |
| 937 | F | 62.5 | Low | 47.4 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 74% | 0.737 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -129.4 | 47.5 | -175.1 | -61.4 | -79.4 | 0 | 0 | 0 | 111.7 | R933 G939 | R933-F937 PolarHBondContact O-N 3.29Å; F937-G939 PolarHBondContact O-N 3.39Å |
| 938 | G | 42.2 | Very low | 46.9 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | trans | -50.9 | 100.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 939 | G | 41.5 | Very low | 46 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | -92.2 | 135.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F937 | F937-G939 PolarHBondContact O-N 3.39Š| ||
| 940 | I | 39.5 | Very low | 45.6 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -111.1 | 112.1 | 178.7 | -54.6 | 167.6 | 0 | 0 | 0 | 107 | ||||
| 941 | D | 40.2 | Very low | 44.7 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -133 | 132.4 | 162.1 | -80.3 | -56.7 | 0 | 0 | 0 | 107.1 | ||||
| 942 | E | 36.3 | Very low | 43.6 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -79.9 | 136 | -170.8 | -64.6 | 180 | 111 | 0 | 0 | 112.2 | ||||
| 943 | L | 36.8 | Very low | 42.5 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | -129.5 | 74.5 | 169.7 | -104.8 | 167.6 | 0 | 0 | 0 | 110.2 | ||||
| 944 | S | 34.8 | Very low | 41.4 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -101.5 | 99.9 | 173 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 945 | N | 33.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -163.8 | 93.6 | 150.2 | -103.3 | -31.9 | 0 | 0 | 0 | 110 | ||||
| 946 | S | 33.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -76.8 | 123.9 | 171.2 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 947 | I | 33.8 | Very low | 37.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | trans | -116.8 | 103.7 | 161.6 | -61.8 | 178.6 | 0 | 0 | 0 | 107.3 | ||||
| 948 | S | 37.3 | Very low | 37 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -87.5 | 144.3 | 167.2 | 54 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 949 | S | 30.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -94.1 | 164.3 | -177.4 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 950 | H | 36.6 | Very low | 37 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | 102.4 | 152.4 | 172.9 | -72.2 | -123 | 0 | 0 | 0 | 117.8 | ||||
| 951 | K | 35.8 | Very low | 37 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 68% | 0.683 | 75% | 0.746 | S | S | * | * | cis | -178 | 111.2 | -36.1 | -176.4 | -177.1 | -175 | -161.3 | 0 | 109.3 | ||||
| 952 | L | 35.8 | Very low | 37 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 61.3 | 164.9 | 164.6 | -62.9 | 170.4 | 0 | 0 | 0 | 115.4 | ||||
| 953 | S | 32.9 | Very low | 37.3 | Very low | 72 Ų | 72 | 137 Ų | 137 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | cis | -165.2 | 163.5 | -26.8 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 954 | E | 36.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | 63.9 | 156.2 | 160.8 | -67.2 | 134.9 | 164.2 | 0 | 0 | 116.6 | ||||
| 955 | D | 36.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | cis | -153.6 | 165.8 | -11.2 | -137.3 | -36.1 | 0 | 0 | 0 | 111.8 | ||||
| 956 | H | 39.1 | Very low | 37.9 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 73% | 0.731 | 72% | 0.718 | S | S | * | * | trans | 60.6 | 172.3 | 156.7 | -72.3 | 23.3 | 0 | 0 | 0 | 119.3 | ||||
| 957 | H | 41.3 | Very low | 38.4 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | -163.2 | 170.2 | -59.9 | -139 | -95.1 | 0 | 0 | 0 | 108.7 | |||||
| 958 | D | 43.4 | Very low | 38.5 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | 66.4 | 150.6 | 163.7 | -57.1 | -19 | 0 | 0 | 0 | 117.8 | ||||
| 959 | N | 40.1 | Very low | 38.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | cis | -158 | 173.5 | -22 | -118.3 | -35.4 | 0 | 0 | 0 | 109.5 | ||||
| 960 | D | 42.7 | Very low | 39.3 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | trans | 63.9 | 144.1 | 160.3 | -58.7 | -29.3 | 0 | 0 | 0 | 118.6 | ||||
| 961 | N | 40.3 | Very low | 39.3 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | cis | -157.9 | 160.2 | -19.8 | -114.8 | -42.9 | 0 | 0 | 0 | 109.6 | ||||
| 962 | L | 40.2 | Very low | 39.2 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | 29.7 | 137 | 145.6 | -59.8 | 160.5 | 0 | 0 | 0 | 119.3 | ||||
| 963 | E | 41.4 | Very low | 39.6 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | cis | -168.4 | 169.8 | 29.1 | -147.2 | 173 | -132.2 | 0 | 0 | 113.8 | ||||
| 964 | N | 38.6 | Very low | 39.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | trans | 86.2 | 106.1 | 150.8 | -70.1 | -46.8 | 0 | 0 | 0 | 123.2 | ||||
| 965 | I | 40.5 | Very low | 39.9 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 84.3 | 79.4 | 130.9 | -55 | 166.4 | 0 | 0 | 0 | 117.9 | ||||
| 966 | D | 39.2 | Very low | 39.9 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | 52.8 | 136.7 | 122.6 | -81.6 | -35.6 | 0 | 0 | 0 | 124 | |||||
| 967 | P | 45 | Very low | 39.8 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | trans | -99.7 | 175.5 | 168.9 | 41.5 | -35.6 | 0 | 0 | 0 | 113.2 | ||||
| 968 | N | 35.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | -166.2 | 147.3 | 129.8 | -105.5 | -55.9 | 0 | 0 | 0 | 112.8 | |||||
| 969 | P | 43.6 | Very low | 39.1 | Very low | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -95.9 | 175.8 | 170.4 | 39.6 | -33.8 | 0 | 0 | 0 | 111.7 | ||||
| 970 | L | 39 | Very low | 38.4 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -169.9 | 165.7 | 140.5 | -128.8 | 68 | 0 | 0 | 0 | 113.6 | ||||
| 971 | N | 37.7 | Very low | 37.8 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 76.3 | 84.1 | 157.9 | -59.3 | -20.8 | 0 | 0 | 0 | 120.7 | ||||
| 972 | S | 33.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -66.2 | -171.5 | 137.4 | -22.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 973 | P | 43.9 | Very low | 36.9 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | cis | -126.4 | -150.4 | 24.7 | 33 | -6.8 | 0 | 0 | 0 | 111.3 | ||||
| 974 | A | 37.9 | Very low | 36.6 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -160 | 172 | 8.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 975 | S | 37.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 61 | 136.8 | 161.2 | 48.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 976 | S | 37.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -168.7 | 143.3 | -6.8 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 977 | S | 35.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 52.7 | 139.5 | 146.7 | 56.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 978 | S | 35.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -173.4 | 163.9 | -3.1 | 45 | 0 | 0 | 0 | 0 | 112 | ||||
| 979 | S | 34.1 | Very low | 35.3 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | 7 | 127.6 | 154 | 56 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 980 | C | 27.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | 71.2 | 138.6 | 60.3 | -63.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 981 | S | 28.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 120 | 152.1 | 45.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 982 | L | 28.9 | Very low | 34.2 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 50.1 | 115.1 | 139.1 | -73.7 | 83.1 | 0 | 0 | 0 | 121.9 | ||||
| 983 | S | 34.3 | Very low | 34.2 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -167.2 | 152.9 | 142.5 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 984 | S | 33.4 | Very low | 33.6 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | cis | 168.9 | 109.8 | -40.2 | -97 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 985 | K | 34 | Very low | 33.2 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 62.8 | 154.6 | 157.2 | -72.1 | 179.1 | 172.9 | 176 | 0 | 121.5 | ||||
| 986 | S | 34.7 | Very low | 32.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 76.2 | 147.3 | 148.6 | 62 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 987 | Q | 34.4 | Very low | 32.5 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | cis | -174.2 | 172.1 | -22.3 | -170.9 | 179.1 | -35.8 | 0 | 0 | 109.3 | ||||
| 988 | I | 35.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | 100.3 | 103.1 | 152.3 | -58.2 | -172.9 | 0 | 0 | 0 | 118.9 | ||||
| 989 | Q | 34 | Very low | 32.2 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | 63.8 | 158.8 | 141.3 | -60.8 | 170.2 | 11.1 | 0 | 0 | 119.1 | ||||
| 990 | S | 34.4 | Very low | 32.2 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -141.9 | 149.1 | 13.7 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 991 | L | 33.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 32.3 | 148.1 | 139 | -78.3 | 75.9 | 0 | 0 | 0 | 122.1 | ||||
| 992 | T | 29.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | cis | 174 | 155.8 | -29.9 | 24.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 993 | K | 33.5 | Very low | 33.2 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 67.2 | 158.7 | 157.2 | -71.1 | 173.9 | 174.2 | -178.4 | 0 | 116.7 | ||||
| 994 | Q | 30.5 | Very low | 33.2 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | cis | -161.5 | 163.8 | -22.6 | -118.8 | 178.7 | -71.3 | 0 | 0 | 111 | ||||
| 995 | N | 29.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 60% | 0.599 | 75% | 0.747 | S | S | * | * | trans | 64.5 | 129.2 | 143.6 | -73.8 | 15.3 | 0 | 0 | 0 | 123.2 | ||||
| 996 | N | 32.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | 73.1 | 112 | 127.4 | -59.6 | -0.6 | 0 | 0 | 0 | 122.4 | |||||
| 997 | N | 29.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 60.4 | 150.9 | 118 | -59.8 | -4.4 | 0 | 0 | 0 | 122.8 | |||||
| 998 | N | 33.4 | Very low | 33.2 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 79.1 | 104.2 | 157.9 | -60.8 | -16.9 | 0 | 0 | 0 | 118.8 | ||||
| 999 | N | 30.5 | Very low | 33.2 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | 29.5 | 105.5 | 115.4 | -55.5 | -9.8 | 0 | 0 | 0 | 117.4 | |||||
| 1000 | N | 35 | Very low | 33.4 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | 169.3 | 111.6 | 123.8 | -84.5 | -26.3 | 0 | 0 | 0 | 108.6 | |||||
| 1001 | S | 32 | Very low | 33.2 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | 76.6 | 110.5 | 87.3 | -173.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1002 | R | 36.6 | Very low | 33.6 | Very low | 245 Ų | 245 | 149.3 Ų | 149.3 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | trans | -158.9 | 122.9 | 130.8 | -103.1 | 149.4 | -166.8 | -88.3 | -1.7 | 109.8 | ||||
| 1003 | H | 35.2 | Very low | 33.9 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | -76.6 | 157.4 | 173.9 | -140.2 | -119.7 | 0 | 0 | 0 | 109.7 | D1006 | H1003-D1006 IonicContact CE1-OD1 2.67Å; H1003-D1006 IonicContact CG-OD1 2.75Å; H1003-D1006 IonicContact ND1-OD1 3.43Å; H1003-D1006 PolarHBondContact ND1-OD1 2.96Å | ||
| 1004 | L | 36 | Very low | 33.8 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -151.8 | 132.5 | 155 | -108.8 | 167.7 | 0 | 0 | 0 | 108.3 | ||||
| 1005 | W | 39 | Very low | 33.9 | Very low | 232 Ų | 232 | 146.9 Ų | 146.9 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 84 | 103.4 | 178.2 | -50.4 | -1.8 | 0 | 0 | 0 | 113.2 | ||||
| 1006 | D | 34 | Very low | 34.2 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -105.3 | 159.7 | -171.6 | -56.5 | -57.8 | 0 | 0 | 0 | 112.1 | H1003 N1008 | H1003-D1006 IonicContact CE1-OD1 2.67Å; H1003-D1006 IonicContact CG-OD1 2.75Å; H1003-D1006 IonicContact ND1-OD1 3.43Å; H1003-D1006 PolarHBondContact ND1-OD1 2.96Å; D1006-N1008 PolarHBondContact O-N 3.06Å | ||
| 1007 | E | 31 | Very low | 34.4 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -76.4 | 109.9 | 163.3 | -65.7 | -177.4 | 161.7 | 0 | 0 | 109.4 | ||
| 1008 | N | 31 | Very low | 34.9 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 172.1 | 87.4 | 145.6 | -89.4 | -30.4 | 0 | 0 | 0 | 111.8 | D1006 | D1006-N1008 PolarHBondContact O-N 3.06Š| ||
| 1009 | S | 36.5 | Very low | 35.1 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -157.5 | 91.7 | 161.2 | -76.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1010 | I | 37.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | 85.9 | 95.8 | 84.1 | -71.9 | 161.4 | 0 | 0 | 0 | 111.3 | |||||
| 1011 | D | 31.4 | Very low | 35.3 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 56.7 | 161.7 | 139.8 | -55.1 | -33.9 | 0 | 0 | 0 | 123.3 | ||||
| 1012 | L | 41.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 90.5 | 139.1 | 170.4 | -54.9 | 164.1 | 0 | 0 | 0 | 116.7 | ||||
| 1013 | P | 36.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | -131.3 | 157.8 | -62.2 | 28.3 | -10.6 | 0 | 0 | 0 | 113.3 | |||||
| 1014 | L | 31.2 | Very low | 34.9 | Very low | 169 Ų | 169 | 149 Ų | 149 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 138.8 | 170.2 | -70.8 | 168.6 | 0 | 0 | 0 | 111.4 | ||||
| 1015 | S | 32.7 | Very low | 34.6 | Very low | 83 Ų | 83 | 148.4 Ų | 148.4 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 126.9 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 111 | V1017 | S1015-V1017 PolarHBondContact O-N 3.11Š| ||
| 1016 | P | 34.6 | Very low | 34.1 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -65.4 | -5.7 | -171.8 | -25.3 | 35.3 | 0 | 0 | 0 | 116.9 | I1018 | P1016-I1018 VanDerWaalsContact C-N 3.28Å; P1016-I1018 PolarHBondContact O-N 3.48Å |
| 1017 | V | 36.6 | Very low | 33.9 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -80.5 | -4.2 | -165.6 | -166.2 | 0 | 0 | 0 | 0 | 113.4 | S1015 H1019 | S1015-V1017 PolarHBondContact O-N 3.11Å; V1017-H1019 VanDerWaalsContact C-N 3.29Å; V1017-H1019 PolarHBondContact O-N 3.04Å |
| 1018 | I | 41.5 | Very low | 33.7 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -77.4 | -11.9 | 176.4 | -68.5 | 176.1 | 0 | 0 | 0 | 112.7 | P1016 | P1016-I1018 VanDerWaalsContact C-N 3.28Å; P1016-I1018 PolarHBondContact O-N 3.48Å |
| 1019 | H | 37.7 | Very low | 33.7 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -105.7 | 13.9 | -173 | -72.3 | -76.7 | 0 | 0 | 0 | 116.3 | V1017 | V1017-H1019 VanDerWaalsContact C-N 3.29Å; V1017-H1019 PolarHBondContact O-N 3.04Å |
| 1020 | Q | 35.6 | Very low | 33.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -127.7 | 19 | -175.4 | -70.8 | -166.8 | -3.4 | 0 | 0 | 116.4 | ||||
| 1021 | L | 34.2 | Very low | 33 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -104.7 | 110 | 167.6 | -75.8 | 173.2 | 0 | 0 | 0 | 110.5 | W1023 | L1021-W1023 PolarHBondContact O-N 2.88Š| ||
| 1022 | P | 34.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -64.9 | 133.2 | 174.8 | -20.5 | 32.9 | 0 | 0 | 0 | 111.5 | N1024 | P1022-N1024 VanDerWaalsContact C-N 3.29Å; P1022-N1024 PolarHBondContact O-N 3.35Å | ||
| 1023 | W | 28.7 | Very low | 32.5 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | -68.8 | 85.6 | 166.7 | -88.5 | 69.8 | 0 | 0 | 0 | 109.9 | L1021 I1025 | L1021-W1023 PolarHBondContact O-N 2.88Å; W1023-I1025 HydrophobicContact CE3-CD1 3.68Å; W1023-I1025 HydrophobicContact CE3-CG1 4.23Å; W1023-I1025 HydrophobicContact CZ3-CD1 3.75Å; W1023-I1025 PolarHBondContact O-N 3.06Å | ||
| 1024 | N | 31.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -83.7 | 55.7 | -178.8 | -154.2 | 1.3 | 0 | 0 | 0 | 112.2 | P1022 Q1026 | P1022-N1024 VanDerWaalsContact C-N 3.29Å; P1022-N1024 PolarHBondContact O-N 3.35Å; N1024-Q1026 PolarHBondContact O-N 3.38Å | ||
| 1025 | I | 28.9 | Very low | 32 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -88.7 | 84.2 | 162.7 | -57.7 | -177 | 0 | 0 | 0 | 106.5 | W1023 | W1023-I1025 HydrophobicContact CE3-CD1 3.68Å; W1023-I1025 HydrophobicContact CE3-CG1 4.23Å; W1023-I1025 HydrophobicContact CZ3-CD1 3.75Å; W1023-I1025 PolarHBondContact O-N 3.06Å | ||
| 1026 | Q | 29.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -133.5 | 91.3 | -179.9 | -146.4 | 169.4 | 10.2 | 0 | 0 | 112.7 | N1024 | N1024-Q1026 PolarHBondContact O-N 3.38Š| ||
| 1027 | T | 28.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 35.8 | 115.6 | 143 | 58.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1028 | S | 28.2 | Very low | 31.4 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -133.2 | 128.2 | 138.6 | -69 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1029 | S | 30.8 | Very low | 30.8 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -154.4 | 125.3 | -1.3 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1030 | S | 26.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -77.5 | 123.4 | 165.9 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1031 | I | 33.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 148 Ų | 148 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | -111.3 | 105.9 | 169.1 | -63.7 | 178.8 | 0 | 0 | 0 | 107.5 | L1033 | I1031-L1033 HydrophobicContact CG2-CG 4.31Å; I1031-L1033 PolarHBondContact O-N 3.49Å | ||
| 1032 | E | 27.7 | Very low | 30 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 120.3 | 170.1 | -65.2 | -176.1 | 120.3 | 0 | 0 | 110.2 | ||||
| 1033 | L | 33.9 | Very low | 29.8 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -127.4 | 81 | 163.5 | -81.2 | 176.3 | 0 | 0 | 0 | 111 | I1031 | I1031-L1033 HydrophobicContact CG2-CG 4.31Å; I1031-L1033 PolarHBondContact O-N 3.49Å | ||
| 1034 | K | 31.2 | Very low | 29.6 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | trans | 22.8 | 102.7 | 146.5 | -64.4 | 179.5 | 179.8 | 178.1 | 0 | 117 | ||||
| 1035 | T | 26.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | 19.8 | 116.2 | 128.7 | 56.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1036 | N | 30.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -140.9 | 105.8 | 137.8 | -108.4 | -18.7 | 0 | 0 | 0 | 108.5 | ||||
| 1037 | N | 26.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 130.5 | 171 | -77 | -16.3 | 0 | 0 | 0 | 108.9 | ||||
| 1038 | N | 34.2 | Very low | 29.5 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -143.4 | 143.5 | 153 | -99.8 | -39.1 | 0 | 0 | 0 | 109.3 | ||||
| 1039 | H | 29.3 | Very low | 29.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -124.1 | 91.8 | -148.9 | -176.5 | -54.5 | 0 | 0 | 0 | 111.9 | ||||
| 1040 | I | 34.3 | Very low | 29.8 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -137.8 | 92.9 | 177 | -53.3 | 177.3 | 0 | 0 | 0 | 105.4 | ||||
| 1041 | Q | 28.3 | Very low | 30.1 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 58.8 | 135 | 64.5 | -101.8 | -169.2 | 7 | 0 | 0 | 115.2 | |||||
| 1042 | S | 28 | Very low | 30.1 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 67.3 | 139.2 | -178.2 | 76.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1043 | N | 29.8 | Very low | 30.3 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -145.7 | 145.8 | -11.4 | -100.4 | -19.3 | 0 | 0 | 0 | 110.6 | ||||
| 1044 | Y | 25.2 | Very low | 30.2 | Very low | 215 Ų | 215 | 153.7 Ų | 153.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -78 | 139.1 | 158.1 | -86.4 | -104.1 | 0 | 0 | 0 | 109.1 | ||||
| 1045 | Y | 29.6 | Very low | 30.2 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -140.8 | 91.9 | 158 | -101.5 | -69.4 | 0 | 0 | 0 | 111 | F1047 | Y1045-F1047 AromaticContact CD1-CD2 3.7Å; Y1045-F1047 HydrophobicContact CD1-CD2 3.7Å; Y1045-F1047 AromaticContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CD1-CE2 3.5Å; Y1045-F1047 VanDerWaalsContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CE1-CD2 4.29Å; Y1045-F1047 AromaticContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CZ 4.4Å | ||
| 1046 | T | 25.8 | Very low | 30.5 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -84.3 | 116 | 162.8 | -22.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1047 | F | 29.9 | Very low | 30.7 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -111.7 | 113.6 | 174.2 | -108.9 | -72.5 | 0 | 0 | 0 | 111 | Y1045 | Y1045-F1047 AromaticContact CD1-CD2 3.7Å; Y1045-F1047 HydrophobicContact CD1-CD2 3.7Å; Y1045-F1047 AromaticContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CD1-CE2 3.5Å; Y1045-F1047 VanDerWaalsContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CE1-CD2 4.29Å; Y1045-F1047 AromaticContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CZ 4.4Å | ||
| 1048 | T | 29 | Very low | 30.9 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -125.7 | 102.5 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1049 | N | 32.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -169 | 119.6 | 156.5 | -92.2 | -34.4 | 0 | 0 | 0 | 106.7 | ||||
| 1050 | H | 33.9 | Very low | 31.1 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | 77.3 | 117.2 | 71 | -82.1 | -69.5 | 0 | 0 | 0 | 114.9 | |||||
| 1051 | N | 33.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 71.7 | 84.1 | 151.4 | -55.3 | -1.1 | 0 | 0 | 0 | 120.2 | ||||
| 1052 | S | 33.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | -175.1 | 121.1 | 123.9 | 25.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1053 | V | 31.1 | Very low | 31.4 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | 54.3 | 92 | 81.9 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1054 | Y | 32.9 | Very low | 31.5 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 92% | 0.918 | 77% | 0.769 | S | S | * | * | -153.9 | 168.3 | 127.9 | -105.2 | -69.3 | 0 | 0 | 0 | 110.1 | |||||
| 1055 | N | 31.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -125.3 | 177.6 | -157.8 | -136.8 | -27.7 | 0 | 0 | 0 | 112.4 | ||||
| 1056 | S | 32 | Very low | 32 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 78.4 | 120 | 179.8 | -52 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1057 | K | 34.9 | Very low | 32.3 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | cis | 72.6 | 125.1 | 45.1 | -64.3 | -171.4 | 173.6 | -178.9 | 0 | 114.4 | ||||
| 1058 | R | 30.4 | Very low | 32.3 | Very low | 219 Ų | 219 | 148.2 Ų | 148.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 57.8 | 103.7 | 174.8 | -73.7 | -177.1 | 169.8 | -171.5 | -1.6 | 115.9 | I1060 | R1058-I1060 HydrophobicContact CG-CD1 4.39Š| ||
| 1059 | I | 33.6 | Very low | 32.5 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -101.3 | 122.3 | 140.1 | -63.8 | 176.9 | 0 | 0 | 0 | 105.9 | ||||
| 1060 | I | 33.7 | Very low | 32.5 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 49% | 0.487 | 78% | 0.778 | S | S | . | * | trans | -118 | 122.7 | 169.7 | -62.6 | 165.6 | 0 | 0 | 0 | 105.5 | R1058 I1062 | R1058-I1060 HydrophobicContact CG-CD1 4.39Å; I1060-I1062 HydrophobicContact CB-CG1 4.35Å; I1060-I1062 HydrophobicContact CG2-CG1 3.8Å; I1060-I1062 PolarHBondContact O-N 3.11Å; I1060-I1062 VanDerWaalsContact O-N 3.16Å | ||
| 1061 | P | 35.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 102.2 | 164.6 | 29.9 | -29.7 | 0 | 0 | 0 | 107.9 | I1063 | P1061-I1063 PolarHBondContact O-N 2.98Š| ||
| 1062 | I | 32.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -81.1 | 116.9 | 177.9 | -69.4 | -179.7 | 0 | 0 | 0 | 109.1 | I1060 | I1060-I1062 HydrophobicContact CB-CG1 4.35Å; I1060-I1062 HydrophobicContact CG2-CG1 3.8Å; I1060-I1062 PolarHBondContact O-N 3.11Å; I1060-I1062 VanDerWaalsContact O-N 3.16Å | ||
| 1063 | I | 30.1 | Very low | 32.6 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | 30.2 | 118 | 136.8 | -51.1 | 167.5 | 0 | 0 | 0 | 116.4 | P1061 | P1061-I1063 PolarHBondContact O-N 2.98Š| ||
| 1064 | E | 31.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | -144.8 | 135.8 | 119.2 | -137.1 | 170.9 | -156.3 | 0 | 0 | 112.3 | |||||
| 1065 | N | 30.8 | Very low | 32.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -92 | 129.4 | -177.9 | -77.5 | -37.6 | 0 | 0 | 0 | 110.5 | ||||
| 1066 | Q | 33.5 | Very low | 32.9 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -130.6 | 148.2 | 144 | -68.8 | -161.6 | 10.9 | 0 | 0 | 109.7 | ||||
| 1067 | S | 32.9 | Very low | 33.2 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -109.9 | 174.1 | -152.2 | -165.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1068 | C | 30.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | 88 | 116.6 | 161.2 | -55.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1069 | N | 33.3 | Very low | 33.5 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 97.5 | 141.2 | -58.7 | -12.8 | 0 | 0 | 0 | 120.6 | ||||
| 1070 | N | 31.4 | Very low | 33.9 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | 37.2 | 107.5 | 125.8 | -57.4 | -1.2 | 0 | 0 | 0 | 118.5 | |||||
| 1071 | N | 34.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | -176.7 | 136.4 | 100.2 | -90.9 | -42.2 | 0 | 0 | 0 | 113.6 | |||||
| 1072 | N | 32.1 | Very low | 34.1 | Very low | 151 Ų | 151 | 161.4 Ų | 161.4 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | 7.2 | 107.3 | 156.9 | -57.5 | -17.2 | 0 | 0 | 0 | 118.4 | ||||
| 1073 | N | 34.2 | Very low | 34.1 | Very low | 151 Ų | 151 | 167 Ų | 167 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -140 | 105.9 | 157.7 | -92.5 | -65.5 | 0 | 0 | 0 | 111 | L1075 | N1073-L1075 PolarHBondContact O-N 3.49Š| ||
| 1074 | I | 35.6 | Very low | 34.3 | Very low | 161 Ų | 161 | 168.7 Ų | 168.7 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | -80.8 | 105.3 | 176.3 | -63.3 | 172 | 0 | 0 | 0 | 108.6 | H1076 | I1074-H1076 PolarHBondContact O-N 2.97Š| ||
| 1075 | L | 35.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 167.3 Ų | 167.3 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -81.9 | 103.5 | 178.4 | -79.6 | 169.7 | 0 | 0 | 0 | 111.8 | N1073 L1077 | N1073-L1075 PolarHBondContact O-N 3.49Å; L1075-L1077 PolarHBondContact O-N 2.67Å | ||
| 1076 | H | 32.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 168.4 Ų | 168.4 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | trans | -65.2 | 100 | 165 | -87.3 | -62.5 | 0 | 0 | 0 | 111.1 | I1074 R1078 | I1074-H1076 PolarHBondContact O-N 2.97Å; H1076-R1078 PolarHBondContact O-N 3.43Å | ||
| 1077 | L | 36.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 166.5 Ų | 166.5 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123.7 | 170.7 | -144.2 | 76.5 | 0 | 0 | 0 | 110.6 | L1075 | L1075-L1077 PolarHBondContact O-N 2.67Š|
| 1078 | R | 36.5 | Very low | 34.8 | Very low | 224 Ų | 224 | 169.9 Ų | 169.9 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 143.8 | 178.3 | -71.1 | -178.5 | 173.6 | -176.1 | -1.1 | 111.4 | H1076 N1080 | H1076-R1078 PolarHBondContact O-N 3.43Å; R1078-N1080 PolarHBondContact O-N 3.17Å |
| 1079 | R | 35.3 | Very low | 35.1 | Very low | 241 Ų | 241 | 174.5 Ų | 174.5 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128 | 155.6 | -85.3 | -179.3 | 158.9 | 118.9 | -6.1 | 109.2 | ||
| 1080 | N | 42.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 176.7 Ų | 176.7 | 77% | 0.77 | 85% | 0.85 | S | S | * | * | trans | -104.7 | 134.5 | 157.6 | -80.2 | -22.8 | 0 | 0 | 0 | 108.7 | R1078 | R1078-N1080 PolarHBondContact O-N 3.17Š| ||
| 1081 | L | 34.4 | Very low | 35.5 | Very low | 144 Ų | 144 | 179.5 Ų | 179.5 | 75% | 0.754 | 86% | 0.858 | S | S | * | * | trans | -77.6 | 146.8 | 164.2 | -94.6 | 68 | 0 | 0 | 0 | 109.2 | ||||
| 1082 | F | 38.3 | Very low | 35.5 | Very low | 211 Ų | 211 | 182.7 Ų | 182.7 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | trans | -150.8 | 63.5 | 157.8 | -103.8 | -68 | 0 | 0 | 0 | 111.6 | ||||
| 1083 | Q | 33 | Very low | 35.9 | Very low | 252 Ų | 252 | 185.5 Ų | 185.5 | 100% | 1.178 | 87% | 0.872 | S | S | * | * | -155.5 | 0 | 124.5 | -161.5 | 157.7 | 23.5 | 0 | 0 | 109.8 |
Retrieved 1,083 of 1,083 residues in 460.1 ms
(Link to these results)