| 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 | 63 | Low | 83.9 | Confident | 191 Ų | 191 | 122.7 Ų | 122.7 | 94% | 0.941 | 59% | 0.588 | S | S | * | * | 0 | -85 | 0 | -62 | -163.6 | 87 | 0 | 0 | 113.7 | K3 E4 G5 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.32Å; M1-E4 WeakPolarHBondContact O-CB 3.16Å; M1-E4 PolarHBondContact O-N 3.2Å; M1-G5 PolarHBondContact O-N 3.31Å | |||
| 2 | V | 72.7 | Confident | 84.8 | Confident | 119 Ų | 119 | 118.8 Ų | 118.8 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -52 | -45 | -169.4 | -177.7 | 0 | 0 | 0 | 0 | 113.9 | E4 G5 I6 | V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-G5 PolarHBondContact O-N 2.92Å; V2-I6 HydrophobicContact CG1-CD1 3.97Å; V2-I6 WeakPolarHBondContact O-CG1 3.48Å; V2-I6 PolarHBondContact O-N 2.73Å |
| 3 | K | 75.5 | Confident | 85.6 | Confident | 185 Ų | 185 | 116.6 Ų | 116.6 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.8 | -29 | 178.2 | -66.6 | -173 | 176.7 | -175.8 | 0 | 114.5 | M1 L7 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-L7 PolarHBondContact O-N 3.13Å |
| 4 | E | 79.8 | Confident | 86.3 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.4 | -32.5 | -179.7 | -65.4 | 157.3 | 135.8 | 0 | 0 | 111.9 | M1 V2 R8 | M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.32Å; M1-E4 WeakPolarHBondContact O-CB 3.16Å; M1-E4 PolarHBondContact O-N 3.2Å; V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-R8 PolarHBondContact O-N 3.45Å |
| 5 | G | 86.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 106.9 Ų | 106.9 | 21% | 0.206 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -60.4 | -56 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1 V2 L7 R8 D9 | M1-G5 PolarHBondContact O-N 3.31Å; V2-G5 PolarHBondContact O-N 2.92Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.29Å; G5-R8 PolarHBondContact O-N 3.36Å; G5-D9 PolarHBondContact O-N 3Å |
| 6 | I | 87.6 | Confident | 87.5 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -52.7 | -43.1 | 178.5 | -65.7 | 168.7 | 0 | 0 | 0 | 112 | V2 D9 Y10 | V2-I6 HydrophobicContact CG1-CD1 3.97Å; V2-I6 WeakPolarHBondContact O-CG1 3.48Å; V2-I6 PolarHBondContact O-N 2.73Å; I6-D9 PolarHBondContact O-N 3.48Å; I6-Y10 HydrophobicContact CG2-CD2 3.69Å; I6-Y10 HydrophobicContact CG2-CE2 3.46Å; I6-Y10 VanDerWaalsContact CG2-CE2 3.46Å; I6-Y10 WeakPolarHBondContact O-CD2 3.37Å; I6-Y10 PolarHBondContact O-N 3.3Å |
| 7 | L | 88.2 | Confident | 88 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 178.3 | -177 | 62.1 | 0 | 0 | 0 | 112.7 | K3 G5 D9 Y10 Q11 | K3-L7 PolarHBondContact O-N 3.13Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.29Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-Y10 PolarHBondContact O-N 3.06Å; L7-Q11 WeakPolarHBondContact O-CG 3.19Å; L7-Q11 PolarHBondContact O-N 2.71Å |
| 8 | R | 91.3 | Very high | 88.5 | Confident | 153 Ų | 153 | 108.2 Ų | 108.2 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.4 | -36.3 | 174.5 | -71.4 | -163.9 | -57.2 | -101.3 | 1.8 | 112.1 | E4 G5 Q11 S12 | E4-R8 PolarHBondContact O-N 3.45Å; G5-R8 PolarHBondContact O-N 3.36Å; R8-Q11 PolarHBondContact O-N 2.89Å; R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å; R8-S12 PolarHBondContact O-OG 3.49Å |
| 9 | D | 92.9 | Very high | 89 | Confident | 96 Ų | 96 | 106.5 Ų | 106.5 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 176.1 | -57.2 | -27.9 | 0 | 0 | 0 | 110.3 | G5 I6 L7 Q11 S12 I13 | G5-D9 PolarHBondContact O-N 3Å; I6-D9 PolarHBondContact O-N 3.48Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-Q11 PolarHBondContact O-N 3.39Å; D9-S12 PolarHBondContact O-N 3Å; D9-I13 VanDerWaalsContact O-CG1 3.31Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 3.31Å |
| 10 | Y | 92 | Very high | 89.4 | Confident | 165 Ų | 165 | 104.2 Ų | 104.2 | 65% | 0.647 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 173.7 | -82.2 | -64.3 | 0 | 0 | 0 | 113.3 | I6 L7 S12 I13 G14 | I6-Y10 HydrophobicContact CG2-CD2 3.69Å; I6-Y10 HydrophobicContact CG2-CE2 3.46Å; I6-Y10 VanDerWaalsContact CG2-CE2 3.46Å; I6-Y10 WeakPolarHBondContact O-CD2 3.37Å; I6-Y10 PolarHBondContact O-N 3.3Å; L7-Y10 PolarHBondContact O-N 3.06Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 2.93Å; Y10-I13 PolarHBondContact O-N 2.98Å; Y10-G14 PolarHBondContact O-N 3.21Å |
| 11 | Q | 93.5 | Very high | 89.8 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 175.3 | -74 | 173 | -17.3 | 0 | 0 | 111.9 | L7 R8 D9 G14 A15 | L7-Q11 WeakPolarHBondContact O-CG 3.19Å; L7-Q11 PolarHBondContact O-N 2.71Å; R8-Q11 PolarHBondContact O-N 2.89Å; D9-Q11 PolarHBondContact O-N 3.39Å; Q11-G14 PolarHBondContact O-N 3.02Å; Q11-A15 PolarHBondContact O-N 2.91Å |
| 12 | S | 94.5 | Very high | 91.4 | Very high | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | R8 D9 Y10 L16 | R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å; R8-S12 PolarHBondContact O-OG 3.49Å; D9-S12 PolarHBondContact O-N 3Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 2.93Å; S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 PolarHBondContact O-N 2.92Å |
| 13 | I | 95.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 172.7 | -67.4 | 163 | 0 | 0 | 0 | 110.8 | D9 Y10 L16 N17 | D9-I13 VanDerWaalsContact O-CG1 3.31Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 3.31Å; Y10-I13 PolarHBondContact O-N 2.98Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-N17 VanDerWaalsContact O-CG 3.31Å; I13-N17 PolarHBondContact O-N 2.99Å |
| 14 | G | 94.6 | Very high | 93.7 | Very high | 38 Ų | 38 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -50.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y10 Q11 L16 N17 E18 | Y10-G14 PolarHBondContact O-N 3.21Å; Q11-G14 PolarHBondContact O-N 3.02Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.04Å; G14-N17 PolarHBondContact O-N 3.22Å; G14-E18 PolarHBondContact O-N 3.32Å |
| 15 | A | 95.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q11 S19 | Q11-A15 PolarHBondContact O-N 2.91Å; A15-S19 WeakPolarHBondContact O-CB 3.39Å; A15-S19 PolarHBondContact O-N 3.38Å; A15-S19 PolarHBondContact O-OG 3.06Å |
| 16 | L | 96.2 | Very high | 95.1 | Very high | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.3 | -38.6 | 174.6 | -176.9 | 140 | 0 | 0 | 0 | 112.1 | S12 I13 G14 S19 S20 | S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 PolarHBondContact O-N 2.92Å; I13-L16 PolarHBondContact O-N 3.19Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.04Å; L16-S19 PolarHBondContact O-N 3Å; L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å |
| 17 | N | 96.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 101.8 Ų | 101.8 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 174 | -71.6 | -12.2 | 0 | 0 | 0 | 111.3 | I13 G14 S19 S20 E21 | I13-N17 VanDerWaalsContact O-CG 3.31Å; I13-N17 PolarHBondContact O-N 2.99Å; G14-N17 PolarHBondContact O-N 3.22Å; N17-S19 VanDerWaalsContact C-N 3.3Å; N17-S19 PolarHBondContact O-N 2.9Å; N17-S20 WeakPolarHBondContact O-CA 3.49Å; N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-N 3.4Å; N17-E21 PolarHBondContact O-N 2.73Å |
| 18 | E | 96.9 | Very high | 96.1 | Very high | 142 Ų | 142 | 98.4 Ų | 98.4 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -41.6 | 175.5 | -175.1 | 177.3 | -170 | 0 | 0 | 111.7 | G14 S20 E21 L22 | G14-E18 PolarHBondContact O-N 3.32Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 3.46Å; E18-E21 PolarHBondContact O-N 2.97Å; E18-L22 WeakPolarHBondContact O-CB 3.33Å; E18-L22 PolarHBondContact O-N 3.5Å |
| 19 | S | 97.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 95.3 Ų | 95.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | A15 L16 N17 L23 | A15-S19 WeakPolarHBondContact O-CB 3.39Å; A15-S19 PolarHBondContact O-N 3.38Å; A15-S19 PolarHBondContact O-OG 3.06Å; L16-S19 PolarHBondContact O-N 3Å; N17-S19 VanDerWaalsContact C-N 3.3Å; N17-S19 PolarHBondContact O-N 2.9Å; S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.47Å |
| 20 | S | 97.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 95.2 Ų | 95.2 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 176.5 | -169.7 | 0 | 0 | 0 | 0 | 112 | L16 N17 E18 L23 L24 | L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å; N17-S20 WeakPolarHBondContact O-CA 3.49Å; N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.45Å; S20-L24 WeakPolarHBondContact O-CG 3.37Å; S20-L24 PolarHBondContact O-N 3.27Å |
| 21 | E | 97.6 | Very high | 97 | Very high | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 174 | -71.7 | 180 | -175.3 | 0 | 0 | 111.6 | N17 E18 L23 L24 K25 | N17-E21 PolarHBondContact O-N 2.73Å; E18-E21 PolarHBondContact O-N 2.97Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.96Å; E21-L24 PolarHBondContact O-N 3.5Å; E21-K25 PolarHBondContact O-N 2.94Å |
| 22 | L | 97.6 | Very high | 97.2 | Very high | 111 Ų | 111 | 89.5 Ų | 89.5 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 175.3 | -175.9 | 61.8 | 0 | 0 | 0 | 112.2 | E18 K25 T26 | E18-L22 WeakPolarHBondContact O-CB 3.33Å; E18-L22 PolarHBondContact O-N 3.5Å; L22-K25 PolarHBondContact O-N 2.99Å; L22-T26 WeakPolarHBondContact O-CB 3.4Å; L22-T26 PolarHBondContact O-N 2.97Å; L22-T26 PolarHBondContact O-OG1 3.28Å |
| 23 | L | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 88.5 Ų | 88.5 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 175.1 | -176.3 | 151.4 | 0 | 0 | 0 | 111.5 | S19 S20 E21 K25 T26 L27 | S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.47Å; S20-L23 PolarHBondContact O-N 3.45Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.96Å; L23-K25 PolarHBondContact O-N 3.21Å; L23-T26 PolarHBondContact O-N 3.35Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.93Å |
| 24 | L | 97.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 87.1 Ų | 87.1 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 176.6 | -72.5 | 172.7 | 0 | 0 | 0 | 112.1 | S20 E21 L27 G28 | S20-L24 WeakPolarHBondContact O-CG 3.37Å; S20-L24 PolarHBondContact O-N 3.27Å; E21-L24 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 2.71Å; L24-G28 PolarHBondContact O-N 3.35Å |
| 25 | K | 98.1 | Very high | 97.7 | Very high | 137 Ų | 137 | 89.4 Ų | 89.4 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -49.7 | 173.2 | -177.6 | -178.5 | 175.8 | -176.1 | 0 | 111.5 | E21 L22 L23 L27 G28 D29 | E21-K25 PolarHBondContact O-N 2.94Å; L22-K25 PolarHBondContact O-N 2.99Å; L23-K25 PolarHBondContact O-N 3.21Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.46Å; K25-G28 WeakPolarHBondContact O-CA 3.44Å; K25-G28 PolarHBondContact O-N 2.92Å; K25-G28 VanDerWaalsContact O-N 3.08Å; K25-D29 PolarHBondContact O-N 3Å |
| 26 | T | 98.2 | Very high | 97.8 | Very high | 65 Ų | 65 | 92.9 Ų | 92.9 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 179.7 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L22 L23 D29 I30 | L22-T26 WeakPolarHBondContact O-CB 3.4Å; L22-T26 PolarHBondContact O-N 2.97Å; L22-T26 PolarHBondContact O-OG1 3.28Å; L23-T26 PolarHBondContact O-N 3.35Å; T26-D29 PolarHBondContact O-N 3.38Å; T26-I30 HydrophobicContact CG2-CD1 4.09Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.94Å |
| 27 | L | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 93 Ų | 93 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.3 | -177 | 64.4 | 0 | 0 | 0 | 111.6 | L23 L24 K25 I30 C31 | L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 2.71Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.46Å; L27-I30 PolarHBondContact O-N 3.06Å; L27-C31 PolarHBondContact O-N 3.08Å; L27-C31 PolarHBondContact O-SG 3.35Å; L27-C31 VanDerWaalsContact O-SG 3.35Å |
| 28 | G | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 94.4 Ų | 94.4 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L24 K25 I30 C31 N32 | L24-G28 PolarHBondContact O-N 3.35Å; K25-G28 WeakPolarHBondContact O-CA 3.44Å; K25-G28 PolarHBondContact O-N 2.92Å; K25-G28 VanDerWaalsContact O-N 3.08Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 3.42Å; G28-C31 PolarHBondContact O-N 2.88Å; G28-N32 VanDerWaalsContact O-CG 3.26Å; G28-N32 PolarHBondContact O-N 3.3Å; G28-N32 PolarHBondContact O-ND2 3.07Å |
| 29 | D | 98.4 | Very high | 98 | Very high | 89 Ų | 89 | 92.5 Ų | 92.5 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.2 | -68.1 | -29.1 | 0 | 0 | 0 | 111.6 | K25 T26 N32 A33 | K25-D29 PolarHBondContact O-N 3Å; T26-D29 PolarHBondContact O-N 3.38Å; D29-N32 PolarHBondContact O-N 3.44Å; D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.94Å |
| 30 | I | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 91.9 Ų | 91.9 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 173.7 | -70.7 | 164.9 | 0 | 0 | 0 | 111.2 | T26 L27 G28 N32 A33 T34 | T26-I30 HydrophobicContact CG2-CD1 4.09Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.94Å; L27-I30 PolarHBondContact O-N 3.06Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 3.42Å; I30-N32 VanDerWaalsContact C-N 3.31Å; I30-N32 PolarHBondContact O-N 2.98Å; I30-A33 PolarHBondContact O-N 3.21Å; I30-T34 PolarHBondContact O-N 3.35Å; I30-T34 PolarHBondContact O-OG1 3.49Å |
| 31 | C | 98.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 92 Ų | 92 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.7 | -72.3 | 0 | 0 | 0 | 0 | 112 | L27 G28 T34 N35 | L27-C31 PolarHBondContact O-N 3.08Å; L27-C31 PolarHBondContact O-SG 3.35Å; L27-C31 VanDerWaalsContact O-SG 3.35Å; G28-C31 PolarHBondContact O-N 2.88Å; C31-T34 PolarHBondContact O-N 3.37Å; C31-N35 WeakPolarHBondContact O-CB 3.49Å; C31-N35 PolarHBondContact O-N 3.39Å; C31-N35 PolarHBondContact O-ND2 2.73Å; C31-N35 PolarHBondContact O-OD1 3.47Å |
| 32 | N | 98.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 176.1 | -68.8 | -28.7 | 0 | 0 | 0 | 112 | G28 D29 I30 N35 F36 | G28-N32 VanDerWaalsContact O-CG 3.26Å; G28-N32 PolarHBondContact O-N 3.3Å; G28-N32 PolarHBondContact O-ND2 3.07Å; D29-N32 PolarHBondContact O-N 3.44Å; I30-N32 VanDerWaalsContact C-N 3.31Å; I30-N32 PolarHBondContact O-N 2.98Å; N32-N35 PolarHBondContact O-N 2.88Å; N32-F36 PolarHBondContact O-N 3.42Å |
| 33 | A | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D29 I30 M37 | D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.94Å; I30-A33 PolarHBondContact O-N 3.21Å; A33-M37 WeakPolarHBondContact O-CB 3.46Å; A33-M37 VanDerWaalsContact O-CG 3.28Å; A33-M37 WeakPolarHBondContact O-CG 3.44Å; A33-M37 PolarHBondContact O-N 2.92Å |
| 34 | T | 98.2 | Very high | 98.2 | Very high | 62 Ų | 62 | 88.4 Ų | 88.4 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 175 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | I30 C31 F36 M37 E38 | I30-T34 PolarHBondContact O-N 3.35Å; I30-T34 PolarHBondContact O-OG1 3.49Å; C31-T34 PolarHBondContact O-N 3.37Å; T34-F36 VanDerWaalsContact C-N 3.32Å; T34-F36 PolarHBondContact O-N 3.01Å; T34-M37 WeakPolarHBondContact O-CB 3.46Å; T34-M37 PolarHBondContact O-N 3.1Å; T34-M37 VanDerWaalsContact O-N 3.1Å; T34-E38 HydrophobicContact CG2-CG 4.46Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.28Å; T34-E38 WeakPolarHBondContact O-CG 3.36Å; T34-E38 PolarHBondContact O-N 3.19Å |
| 35 | N | 97.9 | Very high | 98.2 | Very high | 86 Ų | 86 | 87.4 Ų | 87.4 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 178.1 | -67.4 | -14.4 | 0 | 0 | 0 | 111.7 | C31 N32 M37 E38 E39 | C31-N35 WeakPolarHBondContact O-CB 3.49Å; C31-N35 PolarHBondContact O-N 3.39Å; C31-N35 PolarHBondContact O-ND2 2.73Å; C31-N35 PolarHBondContact O-OD1 3.47Å; N32-N35 PolarHBondContact O-N 2.88Å; N35-M37 PolarHBondContact O-N 3.16Å; N35-E38 PolarHBondContact O-N 3.27Å; N35-E39 PolarHBondContact O-N 3.16Å |
| 36 | F | 98.2 | Very high | 98.2 | Very high | 122 Ų | 122 | 86.5 Ų | 86.5 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175 | 175.8 | -93 | 0 | 0 | 0 | 112.3 | N32 T34 E38 E39 E40 | N32-F36 PolarHBondContact O-N 3.42Å; T34-F36 VanDerWaalsContact C-N 3.32Å; T34-F36 PolarHBondContact O-N 3.01Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.31Å; F36-E39 PolarHBondContact O-N 3.49Å; F36-E40 WeakPolarHBondContact O-CB 3.47Å; F36-E40 PolarHBondContact O-N 3.49Å |
| 37 | M | 98.1 | Very high | 98.2 | Very high | 117 Ų | 117 | 90.2 Ų | 90.2 | 58% | 0.576 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -35.8 | 177.2 | -76.8 | -69.1 | -58.7 | 0 | 0 | 112.7 | A33 T34 N35 S41 | A33-M37 WeakPolarHBondContact O-CB 3.46Å; A33-M37 VanDerWaalsContact O-CG 3.28Å; A33-M37 WeakPolarHBondContact O-CG 3.44Å; A33-M37 PolarHBondContact O-N 2.92Å; T34-M37 WeakPolarHBondContact O-CB 3.46Å; T34-M37 PolarHBondContact O-N 3.1Å; T34-M37 VanDerWaalsContact O-N 3.1Å; N35-M37 PolarHBondContact O-N 3.16Å; M37-S41 WeakPolarHBondContact O-CB 3.31Å; M37-S41 PolarHBondContact O-N 3.22Å; M37-S41 PolarHBondContact O-OG 3.2Å |
| 38 | E | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 92.3 Ų | 92.3 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -47.2 | 175.5 | -72.7 | 178.4 | -171.1 | 0 | 0 | 111.5 | T34 N35 F36 E40 S41 I42 | T34-E38 HydrophobicContact CG2-CG 4.46Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.28Å; T34-E38 WeakPolarHBondContact O-CG 3.36Å; T34-E38 PolarHBondContact O-N 3.19Å; N35-E38 PolarHBondContact O-N 3.27Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.31Å; E38-E40 PolarHBondContact O-N 3.36Å; E38-S41 PolarHBondContact O-N 3.4Å; E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 3.01Å; E38-I42 VanDerWaalsContact O-N 3.14Å |
| 39 | E | 98 | Very high | 98.2 | Very high | 103 Ų | 103 | 93.8 Ų | 93.8 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 174 | -75.5 | -173.4 | -165.8 | 0 | 0 | 112.3 | N35 F36 S41 I42 R43 | N35-E39 PolarHBondContact O-N 3.16Å; F36-E39 PolarHBondContact O-N 3.49Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 3.46Å; E39-I42 WeakPolarHBondContact O-CB 3.33Å; E39-I42 PolarHBondContact O-N 3.48Å; E39-R43 PolarHBondContact O-N 2.9Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-CZ 2.61Å; E39-R43 IonicContact OE2-NH2 2.6Å; E39-R43 PolarHBondContact OE2-NH2 2.95Å |
| 40 | E | 98.2 | Very high | 98.2 | Very high | 62 Ų | 62 | 94.9 Ų | 94.9 | 29% | 0.29 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | -178.9 | -169.4 | 58.6 | -161.6 | 0 | 0 | 111.7 | F36 E38 I42 R43 L44 | F36-E40 WeakPolarHBondContact O-CB 3.47Å; F36-E40 PolarHBondContact O-N 3.49Å; E38-E40 PolarHBondContact O-N 3.36Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.91Å; E40-R43 PolarHBondContact O-N 3.37Å; E40-R43 IonicContact OE2-CZ 3.76Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 3.48Å; E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.48Å |
| 41 | S | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 95.9 Ų | 95.9 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 172.7 | -61.8 | 0 | 0 | 0 | 0 | 112 | M37 E38 E39 V45 | M37-S41 WeakPolarHBondContact O-CB 3.31Å; M37-S41 PolarHBondContact O-N 3.22Å; M37-S41 PolarHBondContact O-OG 3.2Å; E38-S41 PolarHBondContact O-N 3.4Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 3.46Å; S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 3.46Å |
| 42 | I | 98.2 | Very high | 98.2 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 175.1 | -65.1 | 164.5 | 0 | 0 | 0 | 110.9 | E38 E39 E40 V45 Q46 | E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 3.01Å; E38-I42 VanDerWaalsContact O-N 3.14Å; E39-I42 WeakPolarHBondContact O-CB 3.33Å; E39-I42 PolarHBondContact O-N 3.48Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.91Å; I42-V45 PolarHBondContact O-N 3.08Å; I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 2.99Å; I42-Q46 VanDerWaalsContact O-N 3.14Å |
| 43 | R | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177 | -65.8 | -178.1 | -164.6 | 113 | 10.6 | 112.2 | E39 E40 V45 Q46 Y47 | E39-R43 PolarHBondContact O-N 2.9Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-CZ 2.61Å; E39-R43 IonicContact OE2-NH2 2.6Å; E39-R43 PolarHBondContact OE2-NH2 2.95Å; E40-R43 PolarHBondContact O-N 3.37Å; E40-R43 IonicContact OE2-CZ 3.76Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 3.48Å; R43-V45 VanDerWaalsContact C-N 3.34Å; R43-V45 PolarHBondContact O-N 3.45Å; R43-Q46 WeakPolarHBondContact O-CB 3.27Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; R43-Y47 HydrophobicContact CB-CE2 4.05Å; R43-Y47 VanDerWaalsContact O-CD2 3.25Å; R43-Y47 WeakPolarHBondContact O-CD2 3.26Å; R43-Y47 PolarHBondContact O-N 3.2Å |
| 44 | L | 98.5 | Very high | 98.1 | Very high | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.4 | -71.9 | 171.6 | 0 | 0 | 0 | 112.2 | E40 Q46 Y47 E48 | E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.48Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.15Å; L44-Y47 PolarHBondContact O-N 3.28Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.68Å |
| 45 | V | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 112 | S41 I42 R43 T49 | S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 3.46Å; I42-V45 PolarHBondContact O-N 3.08Å; R43-V45 VanDerWaalsContact C-N 3.34Å; R43-V45 PolarHBondContact O-N 3.45Å; V45-T49 WeakPolarHBondContact O-CB 3.42Å; V45-T49 PolarHBondContact O-N 3.31Å; V45-T49 PolarHBondContact O-OG1 3.3Å |
| 46 | Q | 97.5 | Very high | 98 | Very high | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.5 | -46.7 | 173.2 | -68.5 | 171.4 | -0.8 | 0 | 0 | 111.1 | I42 R43 L44 E48 T49 E50 | I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 2.99Å; I42-Q46 VanDerWaalsContact O-N 3.14Å; R43-Q46 WeakPolarHBondContact O-CB 3.27Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.15Å; Q46-E48 PolarHBondContact O-N 3.39Å; Q46-T49 PolarHBondContact O-N 3.31Å; Q46-E50 PolarHBondContact O-N 3.34Å |
| 47 | Y | 98.6 | Very high | 97.9 | Very high | 144 Ų | 144 | 100.2 Ų | 100.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 177.1 | -60.8 | -40.9 | 0 | 0 | 0 | 113 | R43 L44 T49 E50 M51 | R43-Y47 HydrophobicContact CB-CE2 4.05Å; R43-Y47 VanDerWaalsContact O-CD2 3.25Å; R43-Y47 WeakPolarHBondContact O-CD2 3.26Å; R43-Y47 PolarHBondContact O-N 3.2Å; L44-Y47 PolarHBondContact O-N 3.28Å; Y47-T49 VanDerWaalsContact C-N 3.35Å; Y47-E50 PolarHBondContact O-N 3.46Å; Y47-M51 VanDerWaalsContact O-CB 3.25Å; Y47-M51 WeakPolarHBondContact O-CB 3.43Å; Y47-M51 PolarHBondContact O-N 2.61Å |
| 48 | E | 98.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 101 Ų | 101 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 174 | -176.9 | 173.3 | -165.8 | 0 | 0 | 111.9 | L44 Q46 R52 | L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.68Å; Q46-E48 PolarHBondContact O-N 3.39Å; E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.1Å |
| 49 | T | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 98.6 Ų | 98.6 | 37% | 0.368 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 175.8 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | V45 Q46 Y47 R52 C53 | V45-T49 WeakPolarHBondContact O-CB 3.42Å; V45-T49 PolarHBondContact O-N 3.31Å; V45-T49 PolarHBondContact O-OG1 3.3Å; Q46-T49 PolarHBondContact O-N 3.31Å; Y47-T49 VanDerWaalsContact C-N 3.35Å; T49-R52 PolarHBondContact O-N 2.57Å; T49-C53 PolarHBondContact O-N 3.12Å; T49-C53 PolarHBondContact O-SG 3.41Å |
| 50 | E | 98.1 | Very high | 97.8 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.2 | -173.2 | 64.3 | -166.1 | 0 | 0 | 111.4 | Q46 Y47 R52 C53 L54 | Q46-E50 PolarHBondContact O-N 3.34Å; Y47-E50 PolarHBondContact O-N 3.46Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 2.97Å; E50-C53 PolarHBondContact O-N 3.03Å; E50-C53 VanDerWaalsContact O-N 3.12Å; E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.44Å |
| 51 | M | 98.4 | Very high | 97.8 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.6 | -41 | 175.6 | -173.4 | 64.4 | 62.2 | 0 | 0 | 111.9 | Y47 L54 L55 | Y47-M51 VanDerWaalsContact O-CB 3.25Å; Y47-M51 WeakPolarHBondContact O-CB 3.43Å; Y47-M51 PolarHBondContact O-N 2.61Å; M51-L54 PolarHBondContact O-N 2.93Å; M51-L55 HydrophobicContact CG-CD1 4.49Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 3.32Å |
| 52 | R | 97.8 | Very high | 97.7 | Very high | 143 Ų | 143 | 101 Ų | 101 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.9 | -177.8 | 162.6 | 54.5 | 91.1 | 0.3 | 111.8 | E48 T49 E50 L54 L55 D56 | E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.1Å; T49-R52 PolarHBondContact O-N 2.57Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 2.97Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.35Å; R52-L55 PolarHBondContact O-N 2.99Å; R52-D56 VanDerWaalsContact O-CG 3.31Å; R52-D56 PolarHBondContact O-N 3.32Å |
| 53 | C | 96.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 98.5 Ų | 98.5 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | T49 E50 D56 E57 | T49-C53 PolarHBondContact O-N 3.12Å; T49-C53 PolarHBondContact O-SG 3.41Å; E50-C53 PolarHBondContact O-N 3.03Å; E50-C53 VanDerWaalsContact O-N 3.12Å; C53-D56 PolarHBondContact O-N 3.14Å; C53-E57 WeakPolarHBondContact O-CB 3.45Å; C53-E57 PolarHBondContact O-N 3.48Å |
| 54 | L | 98.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 175.9 | -68.1 | 169.9 | 0 | 0 | 0 | 112.9 | E50 M51 R52 R58 | E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.44Å; M51-L54 PolarHBondContact O-N 2.93Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.35Å; L54-R58 VanDerWaalsContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.26Å |
| 55 | L | 96.9 | Very high | 97.6 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 173.9 | -72.4 | 170.9 | 0 | 0 | 0 | 112.2 | M51 R52 S59 | M51-L55 HydrophobicContact CG-CD1 4.49Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 3.32Å; R52-L55 PolarHBondContact O-N 2.99Å; L55-S59 WeakPolarHBondContact O-CB 3.29Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 3.02Å |
| 56 | D | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 173.7 | -65.7 | -23.8 | 0 | 0 | 0 | 110.5 | R52 C53 S59 F60 | R52-D56 VanDerWaalsContact O-CG 3.31Å; R52-D56 PolarHBondContact O-N 3.32Å; C53-D56 PolarHBondContact O-N 3.14Å; D56-S59 WeakPolarHBondContact O-CB 3.42Å; D56-S59 PolarHBondContact O-N 2.9Å; D56-F60 PolarHBondContact O-N 3.05Å |
| 57 | E | 96.7 | Very high | 97.4 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.2 | -178.1 | 172.9 | -163.4 | 0 | 0 | 112.1 | C53 S59 F60 I61 | C53-E57 WeakPolarHBondContact O-CB 3.45Å; C53-E57 PolarHBondContact O-N 3.48Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.27Å; E57-F60 WeakPolarHBondContact O-CB 3.4Å; E57-F60 PolarHBondContact O-N 3.39Å; E57-I61 HydrophobicContact CG-CD1 3.95Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 2.89Å |
| 58 | R | 97.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 95.4 Ų | 95.4 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 173.3 | 177 | -178.2 | 172.5 | -80.2 | -2.7 | 111.6 | L54 I61 L62 | L54-R58 VanDerWaalsContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.26Å; R58-I61 PolarHBondContact O-N 2.86Å; R58-L62 HydrophobicContact CG-CD1 4.28Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.01Å |
| 59 | S | 96.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 93.6 Ų | 93.6 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | -179.7 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | L55 D56 E57 S63 | L55-S59 WeakPolarHBondContact O-CB 3.29Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 3.02Å; D56-S59 WeakPolarHBondContact O-CB 3.42Å; D56-S59 PolarHBondContact O-N 2.9Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.27Å; S59-S63 PolarHBondContact O-N 2.92Å |
| 60 | F | 97.7 | Very high | 97.2 | Very high | 126 Ų | 126 | 96.4 Ų | 96.4 | 55% | 0.553 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -47.9 | 171.4 | 174 | -98.2 | 0 | 0 | 0 | 112.1 | D56 E57 L62 S63 Q64 | D56-F60 PolarHBondContact O-N 3.05Å; E57-F60 WeakPolarHBondContact O-CB 3.4Å; E57-F60 PolarHBondContact O-N 3.39Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.21Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 2.91Å; F60-S63 VanDerWaalsContact O-N 3.14Å; F60-Q64 HydrophobicContact CD1-CG 4.23Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CE2-CG 4.2Å; F60-Q64 HydrophobicContact CZ-CG 3.71Å; F60-Q64 WeakPolarHBondContact O-CG 3.4Å; F60-Q64 PolarHBondContact O-N 2.8Å |
| 61 | I | 97.6 | Very high | 97.2 | Very high | 82 Ų | 82 | 95.6 Ų | 95.6 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 179.4 | -68.7 | 166.9 | 0 | 0 | 0 | 111.3 | E57 R58 S63 Q64 L65 | E57-I61 HydrophobicContact CG-CD1 3.95Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 2.89Å; R58-I61 PolarHBondContact O-N 2.86Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.29Å; I61-Q64 PolarHBondContact O-N 3.02Å; I61-Q64 VanDerWaalsContact O-N 3.15Å; I61-L65 HydrophobicContact CG2-CD1 4.28Å; I61-L65 WeakPolarHBondContact O-CG 3.29Å; I61-L65 PolarHBondContact O-N 3.3Å |
| 62 | L | 97 | Very high | 97.1 | Very high | 68 Ų | 68 | 95.3 Ų | 95.3 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.9 | -72.2 | 170.2 | 0 | 0 | 0 | 112.2 | R58 F60 L65 Q66 | R58-L62 HydrophobicContact CG-CD1 4.28Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.01Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.21Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-Q66 PolarHBondContact O-N 3.33Å |
| 63 | S | 96.9 | Very high | 97.1 | Very high | 54 Ų | 54 | 91.8 Ų | 91.8 | 38% | 0.378 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | S59 F60 I61 Q66 N67 | S59-S63 PolarHBondContact O-N 2.92Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 2.91Å; F60-S63 VanDerWaalsContact O-N 3.14Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.29Å; S63-Q66 PolarHBondContact O-N 3.25Å; S63-N67 PolarHBondContact O-N 3.5Å; S63-N67 PolarHBondContact O-ND2 3.07Å |
| 64 | Q | 96.9 | Very high | 97 | Very high | 85 Ų | 85 | 91.9 Ų | 91.9 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 174.9 | -63.2 | -53.8 | -70.9 | 0 | 0 | 112.2 | F60 I61 N67 V68 | F60-Q64 HydrophobicContact CD1-CG 4.23Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CE2-CG 4.2Å; F60-Q64 HydrophobicContact CZ-CG 3.71Å; F60-Q64 WeakPolarHBondContact O-CG 3.4Å; F60-Q64 PolarHBondContact O-N 2.8Å; I61-Q64 PolarHBondContact O-N 3.02Å; I61-Q64 VanDerWaalsContact O-N 3.15Å; Q64-N67 PolarHBondContact O-N 2.93Å; Q64-V68 WeakPolarHBondContact O-CG2 3.46Å; Q64-V68 PolarHBondContact O-N 3.12Å; Q64-V68 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 97.6 | Very high | 97 | Very high | 93 Ų | 93 | 93 Ų | 93 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 175 | -71.4 | 171.2 | 0 | 0 | 0 | 111.6 | I61 L62 N67 V68 E69 | I61-L65 HydrophobicContact CG2-CD1 4.28Å; I61-L65 WeakPolarHBondContact O-CG 3.29Å; I61-L65 PolarHBondContact O-N 3.3Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.49Å; L65-V68 PolarHBondContact O-N 2.74Å; L65-V68 VanDerWaalsContact O-N 3.09Å; L65-E69 WeakPolarHBondContact O-CG 3.46Å; L65-E69 PolarHBondContact O-N 3.1Å |
| 66 | Q | 97.9 | Very high | 96.9 | Very high | 132 Ų | 132 | 89.7 Ų | 89.7 | 62% | 0.617 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62 | -35.2 | 176.8 | -167.4 | 179 | -0.7 | 0 | 0 | 112.6 | L62 S63 Q70 | L62-Q66 PolarHBondContact O-N 3.33Å; S63-Q66 PolarHBondContact O-N 3.25Å; Q66-Q70 PolarHBondContact O-N 3.41Å; Q66-Q70 VanDerWaalsContact O-N 3.11Å |
| 67 | N | 94.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 87.4 Ų | 87.4 | 42% | 0.422 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 172.2 | -66 | -22.5 | 0 | 0 | 0 | 111.4 | S63 Q64 L65 E69 Q70 D71 | S63-N67 PolarHBondContact O-N 3.5Å; S63-N67 PolarHBondContact O-ND2 3.07Å; Q64-N67 PolarHBondContact O-N 2.93Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.49Å; N67-E69 VanDerWaalsContact C-N 3.33Å; N67-E69 PolarHBondContact O-N 3.23Å; N67-Q70 WeakPolarHBondContact O-CB 3.25Å; N67-Q70 PolarHBondContact O-N 3.27Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; N67-D71 PolarHBondContact O-N 3.41Å |
| 68 | V | 97.2 | Very high | 96.7 | Very high | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Q64 L65 Q70 D71 I72 | Q64-V68 WeakPolarHBondContact O-CG2 3.46Å; Q64-V68 PolarHBondContact O-N 3.12Å; Q64-V68 VanDerWaalsContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.74Å; L65-V68 VanDerWaalsContact O-N 3.09Å; V68-Q70 VanDerWaalsContact C-N 3.35Å; V68-D71 PolarHBondContact O-N 3.48Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 HydrophobicContact CG1-CG1 4.42Å; V68-I72 WeakPolarHBondContact O-CB 3.12Å; V68-I72 VanDerWaalsContact O-CG1 3.24Å; V68-I72 WeakPolarHBondContact O-CG1 3.33Å; V68-I72 PolarHBondContact O-N 3.36Å |
| 69 | E | 97.2 | Very high | 96.6 | Very high | 100 Ų | 100 | 84 Ų | 84 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 173.7 | -71.2 | 174.2 | 168.1 | 0 | 0 | 112.2 | L65 N67 S73 | L65-E69 WeakPolarHBondContact O-CG 3.46Å; L65-E69 PolarHBondContact O-N 3.1Å; N67-E69 VanDerWaalsContact C-N 3.33Å; N67-E69 PolarHBondContact O-N 3.23Å; E69-S73 WeakPolarHBondContact O-CB 3.45Å; E69-S73 PolarHBondContact O-N 3.21Å; E69-S73 PolarHBondContact O-OG 3.45Å |
| 70 | Q | 96.9 | Very high | 96.5 | Very high | 119 Ų | 119 | 88.1 Ų | 88.1 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 174.8 | -178.1 | 58.1 | 46.4 | 0 | 0 | 112.2 | Q66 N67 V68 S73 T74 | Q66-Q70 PolarHBondContact O-N 3.41Å; Q66-Q70 VanDerWaalsContact O-N 3.11Å; N67-Q70 WeakPolarHBondContact O-CB 3.25Å; N67-Q70 PolarHBondContact O-N 3.27Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; V68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-S73 PolarHBondContact O-N 3.43Å; Q70-T74 PolarHBondContact NE2-OG1 3.35Å; Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 PolarHBondContact O-OG1 2.92Å |
| 71 | D | 97.7 | Very high | 96.4 | Very high | 96 Ų | 96 | 86.6 Ų | 86.6 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.1 | -72.5 | -20 | 0 | 0 | 0 | 111.2 | N67 V68 S73 T74 L75 | N67-D71 PolarHBondContact O-N 3.41Å; V68-D71 PolarHBondContact O-N 3.48Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 2.79Å; D71-T74 PolarHBondContact O-N 3.48Å; D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 WeakPolarHBondContact O-CG 3.33Å; D71-L75 PolarHBondContact O-N 3.03Å |
| 72 | I | 96.6 | Very high | 96.2 | Very high | 109 Ų | 109 | 85.5 Ų | 85.5 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.9 | -45.1 | 173.4 | -71.4 | 165.7 | 0 | 0 | 0 | 110.5 | V68 T74 L75 G76 | V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 HydrophobicContact CG1-CG1 4.42Å; V68-I72 WeakPolarHBondContact O-CB 3.12Å; V68-I72 VanDerWaalsContact O-CG1 3.24Å; V68-I72 WeakPolarHBondContact O-CG1 3.33Å; V68-I72 PolarHBondContact O-N 3.36Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.46Å; I72-L75 PolarHBondContact O-N 2.96Å; I72-G76 PolarHBondContact O-N 2.92Å |
| 73 | S | 96.4 | Very high | 96 | Very high | 69 Ų | 69 | 88.2 Ų | 88.2 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E69 Q70 D71 G76 A77 | E69-S73 WeakPolarHBondContact O-CB 3.45Å; E69-S73 PolarHBondContact O-N 3.21Å; E69-S73 PolarHBondContact O-OG 3.45Å; Q70-S73 PolarHBondContact O-N 3.43Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 2.79Å; S73-G76 PolarHBondContact O-N 3.33Å; S73-A77 PolarHBondContact O-N 2.98Å; S73-A77 VanDerWaalsContact O-N 3.1Å |
| 74 | T | 96.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 87.8 Ų | 87.8 | 39% | 0.387 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.5 | -47.5 | 178.6 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q70 D71 I72 G76 A77 I78 | Q70-T74 PolarHBondContact NE2-OG1 3.35Å; Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 PolarHBondContact O-OG1 2.92Å; D71-T74 PolarHBondContact O-N 3.48Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.46Å; T74-G76 VanDerWaalsContact C-N 3.33Å; T74-G76 PolarHBondContact O-N 3.08Å; T74-A77 WeakPolarHBondContact O-CB 3.49Å; T74-A77 PolarHBondContact O-N 3.4Å; T74-A77 VanDerWaalsContact O-N 3.17Å; T74-I78 HydrophobicContact CG2-CD1 4.21Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.05Å |
| 75 | L | 96.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 86.2 Ų | 86.2 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 174.4 | -72 | 171.8 | 0 | 0 | 0 | 111.7 | D71 I72 A77 I78 V79 | D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 WeakPolarHBondContact O-CG 3.33Å; D71-L75 PolarHBondContact O-N 3.03Å; I72-L75 PolarHBondContact O-N 2.96Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.17Å; L75-I78 PolarHBondContact O-N 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 3.07Å |
| 76 | G | 94.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 85.5 Ų | 85.5 | 24% | 0.237 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I72 S73 T74 R80 | I72-G76 PolarHBondContact O-N 2.92Å; S73-G76 PolarHBondContact O-N 3.33Å; T74-G76 VanDerWaalsContact C-N 3.33Å; T74-G76 PolarHBondContact O-N 3.08Å; G76-R80 WeakPolarHBondContact O-CG 3.21Å; G76-R80 PolarHBondContact O-N 3.18Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G76-R80 PolarHBondContact O-NH1 2.79Å |
| 77 | A | 94.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 82.1 Ų | 82.1 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S73 T74 L75 V79 R80 Q81 | S73-A77 PolarHBondContact O-N 2.98Å; S73-A77 VanDerWaalsContact O-N 3.1Å; T74-A77 WeakPolarHBondContact O-CB 3.49Å; T74-A77 PolarHBondContact O-N 3.4Å; T74-A77 VanDerWaalsContact O-N 3.17Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.17Å; A77-V79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 2.84Å; A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 PolarHBondContact O-N 3.26Å |
| 78 | I | 96.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 83.6 Ų | 83.6 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.1 | -66.7 | 165.1 | 0 | 0 | 0 | 111.2 | T74 L75 Q81 A82 | T74-I78 HydrophobicContact CG2-CD1 4.21Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.05Å; L75-I78 PolarHBondContact O-N 3.23Å; I78-Q81 PolarHBondContact O-N 3.21Å; I78-A82 WeakPolarHBondContact O-CB 3.36Å; I78-A82 PolarHBondContact O-N 3.4Å |
| 79 | V | 95.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 82.8 Ų | 82.8 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | L75 A77 Q81 A82 W83 I140 | L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 3.07Å; A77-V79 PolarHBondContact O-N 3.4Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 2.86Å; V79-A82 PolarHBondContact O-N 2.97Å; V79-W83 WeakPolarHBondContact O-CB 3.34Å; V79-W83 PolarHBondContact O-N 3.18Å; V79-I140 HydrophobicContact CG1-CG2 4.23Å |
| 80 | R | 94.9 | Very high | 94.3 | Very high | 154 Ų | 154 | 79.3 Ų | 79.3 | 58% | 0.581 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 174.8 | -74.2 | -174.6 | -63.1 | -93.8 | 3.5 | 112.1 | G76 A77 W83 S84 | G76-R80 WeakPolarHBondContact O-CG 3.21Å; G76-R80 PolarHBondContact O-N 3.18Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G76-R80 PolarHBondContact O-NH1 2.79Å; A77-R80 PolarHBondContact O-N 2.84Å; R80-W83 PolarHBondContact O-N 3.05Å; R80-S84 PolarHBondContact O-N 2.98Å |
| 81 | Q | 95.2 | Very high | 93.9 | Very high | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.5 | -178.4 | 59.6 | 37 | 0 | 0 | 111.5 | A77 I78 V79 W83 S84 D85 | A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 PolarHBondContact O-N 3.26Å; I78-Q81 PolarHBondContact O-N 3.21Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 2.86Å; Q81-W83 VanDerWaalsContact C-N 3.29Å; Q81-W83 PolarHBondContact O-N 3.4Å; Q81-S84 WeakPolarHBondContact O-CB 3.49Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 VanDerWaalsContact O-N 3.1Å; Q81-D85 VanDerWaalsContact NE2-CG 3.28Å; Q81-D85 PolarHBondContact NE2-OD1 3.07Å; Q81-D85 PolarHBondContact NE2-OD2 2.93Å; Q81-D85 PolarHBondContact O-N 3.33Å |
| 82 | A | 93.8 | Very high | 93.7 | Very high | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I78 V79 R86 | I78-A82 WeakPolarHBondContact O-CB 3.36Å; I78-A82 PolarHBondContact O-N 3.4Å; V79-A82 PolarHBondContact O-N 2.97Å; A82-R86 VanDerWaalsContact O-CB 3.26Å; A82-R86 WeakPolarHBondContact O-CB 3.37Å; A82-R86 PolarHBondContact O-N 2.74Å |
| 83 | W | 93.3 | Very high | 93.4 | Very high | 124 Ų | 124 | 77.3 Ų | 77.3 | 47% | 0.47 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 174.4 | -164.9 | 85.5 | 0 | 0 | 0 | 112.2 | V79 R80 Q81 N87 T137 | V79-W83 WeakPolarHBondContact O-CB 3.34Å; V79-W83 PolarHBondContact O-N 3.18Å; R80-W83 PolarHBondContact O-N 3.05Å; Q81-W83 VanDerWaalsContact C-N 3.29Å; Q81-W83 PolarHBondContact O-N 3.4Å; W83-N87 WeakPolarHBondContact CH2-ND2 3.43Å; W83-N87 WeakPolarHBondContact CZ3-ND2 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.28Å; W83-N87 PolarHBondContact O-N 2.62Å; W83-N87 PolarHBondContact O-ND2 3.41Å; W83-T137 HydrophobicContact CZ2-CG2 3.87Å |
| 84 | S | 93.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 78.1 Ų | 78.1 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 112 | R80 Q81 N87 K88 | R80-S84 PolarHBondContact O-N 2.98Å; Q81-S84 WeakPolarHBondContact O-CB 3.49Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 VanDerWaalsContact O-N 3.1Å; S84-N87 PolarHBondContact O-N 3.29Å; S84-N87 VanDerWaalsContact O-N 3.16Å; S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 3.21Å; S84-K88 WeakPolarHBondContact OG-CE 3.33Å |
| 85 | D | 94.2 | Very high | 93 | Very high | 53 Ų | 53 | 81.5 Ų | 81.5 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | -179.5 | -66.3 | -30.9 | 0 | 0 | 0 | 112.7 | Q81 N87 K88 S89 | Q81-D85 VanDerWaalsContact NE2-CG 3.28Å; Q81-D85 PolarHBondContact NE2-OD1 3.07Å; Q81-D85 PolarHBondContact NE2-OD2 2.93Å; Q81-D85 PolarHBondContact O-N 3.33Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-K88 PolarHBondContact O-N 3.04Å; D85-K88 IonicContact OD1-NZ 3.33Å; D85-K88 PolarHBondContact OD1-NZ 3.23Å; D85-S89 PolarHBondContact O-N 3.41Å; D85-S89 PolarHBondContact O-OG 2.78Å |
| 86 | R | 93.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 80.9 Ų | 80.9 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 166.9 | 176.6 | -174.5 | 168.1 | 117.9 | 13.9 | 111.5 | A82 S89 V90 H133 | A82-R86 VanDerWaalsContact O-CB 3.26Å; A82-R86 WeakPolarHBondContact O-CB 3.37Å; A82-R86 PolarHBondContact O-N 2.74Å; R86-S89 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-OG 3.22Å; R86-V90 WeakPolarHBondContact O-CB 3.29Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.31Å; R86-V90 PolarHBondContact O-N 3.39Å; R86-H133 PolarHBondContact NH1-CD2 2.61Å; R86-H133 VanDerWaalsContact NH1-CD2 3.27Å; R86-H133 PolarHBondContact NH1-CE1 3.26Å; R86-H133 VanDerWaalsContact NH1-CG 3.33Å; R86-H133 PolarHBondContact NH1-ND1 3.41Å; R86-H133 PolarHBondContact NH1-NE2 3.34Å; R86-H133 PolarHBondContact NH2-CD2 3.04Å; R86-H133 VanDerWaalsContact NH2-CG 3.34Å |
| 87 | N | 88.7 | Confident | 92.8 | Very high | 60 Ų | 60 | 82.1 Ų | 82.1 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | -179.7 | -71.4 | -17.5 | 0 | 0 | 0 | 112.2 | W83 S84 D85 V90 F91 | W83-N87 WeakPolarHBondContact CH2-ND2 3.43Å; W83-N87 WeakPolarHBondContact CZ3-ND2 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.28Å; W83-N87 PolarHBondContact O-N 2.62Å; W83-N87 PolarHBondContact O-ND2 3.41Å; S84-N87 PolarHBondContact O-N 3.29Å; S84-N87 VanDerWaalsContact O-N 3.16Å; D85-N87 VanDerWaalsContact C-N 3.34Å; N87-V90 PolarHBondContact O-N 2.79Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 3.48Å |
| 88 | K | 93.7 | Very high | 92.7 | Very high | 110 Ų | 110 | 81.9 Ų | 81.9 | 48% | 0.478 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 172 | -65.5 | 168.3 | -157.9 | 161.8 | 0 | 111.8 | S84 D85 F91 C92 | S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 3.21Å; S84-K88 WeakPolarHBondContact OG-CE 3.33Å; D85-K88 PolarHBondContact O-N 3.04Å; D85-K88 IonicContact OD1-NZ 3.33Å; D85-K88 PolarHBondContact OD1-NZ 3.23Å; K88-F91 PolarHBondContact O-N 3.4Å; K88-C92 PolarHBondContact O-N 3.02Å |
| 89 | S | 90.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 81.3 Ų | 81.3 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | -179.6 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | D85 R86 F91 C92 I93 | D85-S89 PolarHBondContact O-N 3.41Å; D85-S89 PolarHBondContact O-OG 2.78Å; R86-S89 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-OG 3.22Å; S89-F91 PolarHBondContact O-N 3.15Å; S89-C92 PolarHBondContact O-N 3.44Å; S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.47Å; S89-I93 PolarHBondContact O-N 3.36Å |
| 90 | V | 87 | Confident | 92.6 | Very high | 28 Ų | 28 | 81.5 Ų | 81.5 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 171.5 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | R86 N87 I93 Q94 L130 | R86-V90 WeakPolarHBondContact O-CB 3.29Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.31Å; R86-V90 PolarHBondContact O-N 3.39Å; N87-V90 PolarHBondContact O-N 2.79Å; V90-I93 PolarHBondContact O-N 3.28Å; V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 3.44Å; V90-L130 HydrophobicContact CB-CD1 4.35Å; V90-L130 HydrophobicContact CG1-CD1 3.72Å; V90-L130 HydrophobicContact CG1-CD2 3.61Å; V90-L130 HydrophobicContact CG1-CG 4.3Å; V90-L130 HydrophobicContact CG2-CD1 3.65Å |
| 91 | F | 89.2 | Confident | 92.5 | Very high | 133 Ų | 133 | 76.1 Ų | 76.1 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 176.5 | -178 | -96.9 | 0 | 0 | 0 | 112.1 | N87 K88 S89 I93 Q94 R95 | N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 3.48Å; K88-F91 PolarHBondContact O-N 3.4Å; S89-F91 PolarHBondContact O-N 3.15Å; F91-I93 PolarHBondContact O-N 3.1Å; F91-Q94 PolarHBondContact O-N 3.14Å; F91-R95 PolarHBondContact O-N 2.93Å |
| 92 | C | 93.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 77.8 Ų | 77.8 | 37% | 0.365 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.4 | -86.9 | 0 | 0 | 0 | 0 | 112.6 | K88 S89 R95 L96 | K88-C92 PolarHBondContact O-N 3.02Å; S89-C92 PolarHBondContact O-N 3.44Å; C92-R95 PolarHBondContact O-N 3.08Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CG 3.5Å; C92-L96 PolarHBondContact O-N 2.95Å |
| 93 | I | 90.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.8 | -69.7 | 163.2 | 0 | 0 | 0 | 110.8 | S89 V90 F91 R95 L96 Y97 P126 | S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.47Å; S89-I93 PolarHBondContact O-N 3.36Å; V90-I93 PolarHBondContact O-N 3.28Å; F91-I93 PolarHBondContact O-N 3.1Å; I93-R95 PolarHBondContact O-N 3.15Å; I93-L96 PolarHBondContact O-N 3Å; I93-Y97 VanDerWaalsContact O-CB 3.28Å; I93-Y97 WeakPolarHBondContact O-CB 3.48Å; I93-Y97 PolarHBondContact O-N 3.36Å; I93-P126 HydrophobicContact CG2-CB 4.23Å; I93-P126 HydrophobicContact CG2-CG 4.13Å |
| 94 | Q | 90.7 | Very high | 92.7 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.7 | -72.4 | 175.8 | 2 | 0 | 0 | 112 | V90 F91 Y97 G98 P126 | V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 3.44Å; F91-Q94 PolarHBondContact O-N 3.14Å; Q94-Y97 PolarHBondContact O-N 2.92Å; Q94-G98 PolarHBondContact O-N 3.44Å; Q94-G98 VanDerWaalsContact O-N 3.07Å; Q94-P126 HydrophobicContact CG-CB 4.27Å |
| 95 | R | 93.5 | Very high | 92.7 | Very high | 134 Ų | 134 | 76.9 Ų | 76.9 | 51% | 0.506 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -51.8 | 176.4 | -164.7 | -171 | 72.1 | -154.6 | -8.6 | 111.8 | F91 C92 I93 Y97 G98 E99 | F91-R95 PolarHBondContact O-N 2.93Å; C92-R95 PolarHBondContact O-N 3.08Å; I93-R95 PolarHBondContact O-N 3.15Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.31Å; R95-G98 WeakPolarHBondContact O-CA 3.41Å; R95-G98 PolarHBondContact O-N 3.47Å; R95-E99 WeakPolarHBondContact CD-OE1 3.48Å; R95-E99 WeakPolarHBondContact CG-OE1 3.46Å; R95-E99 IonicContact CZ-OE1 3.95Å; R95-E99 IonicContact NE-OE1 2.97Å; R95-E99 PolarHBondContact NE-OE1 3.29Å; R95-E99 WeakPolarHBondContact O-CG 3.48Å; R95-E99 PolarHBondContact O-N 3.19Å |
| 96 | L | 93.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 77.9 Ų | 77.9 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 178.6 | -71.1 | 171.2 | 0 | 0 | 0 | 112.3 | C92 I93 G98 E99 Y100 | C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CG 3.5Å; C92-L96 PolarHBondContact O-N 2.95Å; I93-L96 PolarHBondContact O-N 3Å; L96-G98 VanDerWaalsContact C-N 3.35Å; L96-E99 PolarHBondContact O-N 3.49Å; L96-Y100 VanDerWaalsContact O-CB 3.3Å; L96-Y100 WeakPolarHBondContact O-CB 3.41Å; L96-Y100 PolarHBondContact O-N 3.06Å |
| 97 | Y | 92.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 77.5 Ų | 77.5 | 19% | 0.192 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 173.6 | -171.4 | -96.2 | 0 | 0 | 0 | 111.7 | I93 Q94 R95 N101 N121 Y123 T125 P126 | I93-Y97 VanDerWaalsContact O-CB 3.28Å; I93-Y97 WeakPolarHBondContact O-CB 3.48Å; I93-Y97 PolarHBondContact O-N 3.36Å; Q94-Y97 PolarHBondContact O-N 2.92Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.31Å; Y97-N101 WeakPolarHBondContact CD1-ND2 3.11Å; Y97-N101 WeakPolarHBondContact CE1-ND2 3.37Å; Y97-N101 VanDerWaalsContact CZ-ND2 3.34Å; Y97-N101 PolarHBondContact O-N 2.91Å; Y97-N101 PolarHBondContact O-ND2 2.87Å; Y97-N121 PolarHBondContact OH-ND2 3.35Å; Y97-N121 VanDerWaalsContact OH-ND2 3.13Å; Y97-Y123 PolarHBondContact OH-O 3.22Å; Y97-T125 HydrophobicContact CE1-CG2 4.28Å; Y97-P126 VanDerWaalsContact CD1-CD 3.44Å; Y97-P126 HydrophobicContact CD1-CG 3.99Å; Y97-P126 HydrophobicContact CD2-CG 3.94Å; Y97-P126 VanDerWaalsContact CG-CD 3.48Å; Y97-P126 HydrophobicContact CG-CG 3.62Å |
| 98 | G | 91.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 76 Ų | 76 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q94 R95 L96 Y100 N101 Q102 | Q94-G98 PolarHBondContact O-N 3.44Å; Q94-G98 VanDerWaalsContact O-N 3.07Å; R95-G98 WeakPolarHBondContact O-CA 3.41Å; R95-G98 PolarHBondContact O-N 3.47Å; L96-G98 VanDerWaalsContact C-N 3.35Å; G98-Y100 VanDerWaalsContact C-N 3.34Å; G98-Y100 PolarHBondContact O-N 3.03Å; G98-N101 PolarHBondContact O-N 2.82Å; G98-Q102 PolarHBondContact O-N 2.79Å |
| 99 | E | 95.7 | Very high | 93.4 | Very high | 90 Ų | 90 | 76.8 Ų | 76.8 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 176.4 | -67 | 167.7 | -152.7 | 0 | 0 | 111.5 | R95 L96 Q102 L103 | R95-E99 WeakPolarHBondContact CD-OE1 3.48Å; R95-E99 WeakPolarHBondContact CG-OE1 3.46Å; R95-E99 IonicContact CZ-OE1 3.95Å; R95-E99 IonicContact NE-OE1 2.97Å; R95-E99 PolarHBondContact NE-OE1 3.29Å; R95-E99 WeakPolarHBondContact O-CG 3.48Å; R95-E99 PolarHBondContact O-N 3.19Å; L96-E99 PolarHBondContact O-N 3.49Å; E99-Q102 PolarHBondContact O-N 3.29Å; E99-L103 PolarHBondContact O-N 3.16Å |
| 100 | Y | 95 | Very high | 93.6 | Very high | 75 Ų | 75 | 79.8 Ų | 79.8 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.2 | 171.4 | -90.5 | 0 | 0 | 0 | 112.6 | L96 G98 Q102 L103 L104 N121 | L96-Y100 VanDerWaalsContact O-CB 3.3Å; L96-Y100 WeakPolarHBondContact O-CB 3.41Å; L96-Y100 PolarHBondContact O-N 3.06Å; G98-Y100 VanDerWaalsContact C-N 3.34Å; G98-Y100 PolarHBondContact O-N 3.03Å; Y100-Q102 VanDerWaalsContact C-N 3.33Å; Y100-Q102 PolarHBondContact O-N 2.84Å; Y100-L103 PolarHBondContact O-N 2.88Å; Y100-L104 HydrophobicContact CE1-CB 4.39Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 WeakPolarHBondContact O-CB 3.4Å; Y100-L104 PolarHBondContact O-N 2.81Å; Y100-N121 HydrophobicContact CE1-CB 4.16Å; Y100-N121 VanDerWaalsContact CE1-CG 3.49Å; Y100-N121 WeakPolarHBondContact CE1-OD1 3.41Å |
| 101 | N | 92.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.9 | -34.5 | 179.8 | -74.9 | -76.9 | 0 | 0 | 0 | 111.8 | Y97 G98 L104 N105 N121 | Y97-N101 WeakPolarHBondContact CD1-ND2 3.11Å; Y97-N101 WeakPolarHBondContact CE1-ND2 3.37Å; Y97-N101 VanDerWaalsContact CZ-ND2 3.34Å; Y97-N101 PolarHBondContact O-N 2.91Å; Y97-N101 PolarHBondContact O-ND2 2.87Å; G98-N101 PolarHBondContact O-N 2.82Å; N101-L104 PolarHBondContact O-N 3.43Å; N101-N105 WeakPolarHBondContact O-CB 3.08Å; N101-N105 PolarHBondContact O-N 3.46Å; N101-N105 PolarHBondContact O-ND2 3.46Å; N101-N121 PolarHBondContact OD1-ND2 3.46Å; N101-N121 VanDerWaalsContact OD1-ND2 3.12Å |
| 102 | Q | 94.9 | Very high | 94.4 | Very high | 130 Ų | 130 | 82.3 Ų | 82.3 | 61% | 0.607 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 173 | -171.7 | 178.4 | 12.2 | 0 | 0 | 111.3 | G98 E99 Y100 N105 N106 | G98-Q102 PolarHBondContact O-N 2.79Å; E99-Q102 PolarHBondContact O-N 3.29Å; Y100-Q102 VanDerWaalsContact C-N 3.33Å; Y100-Q102 PolarHBondContact O-N 2.84Å; Q102-N105 PolarHBondContact O-N 2.9Å; Q102-N106 VanDerWaalsContact O-CG 3.28Å; Q102-N106 PolarHBondContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.87Å |
| 103 | L | 95.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 85.3 Ų | 85.3 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.1 | -179.1 | 60.5 | 0 | 0 | 0 | 112.1 | E99 Y100 N105 N106 I107 | E99-L103 PolarHBondContact O-N 3.16Å; Y100-L103 PolarHBondContact O-N 2.88Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 3.11Å; L103-N106 PolarHBondContact O-N 2.77Å; L103-I107 HydrophobicContact CD1-CD1 4.09Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 WeakPolarHBondContact O-CG1 3.48Å; L103-I107 PolarHBondContact O-N 3.49Å |
| 104 | L | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 88.2 Ų | 88.2 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 176.5 | -178.1 | 64.2 | 0 | 0 | 0 | 111.5 | Y100 N101 I107 N108 L119 N121 | Y100-L104 HydrophobicContact CE1-CB 4.39Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 WeakPolarHBondContact O-CB 3.4Å; Y100-L104 PolarHBondContact O-N 2.81Å; N101-L104 PolarHBondContact O-N 3.43Å; L104-I107 PolarHBondContact O-N 3.46Å; L104-N108 WeakPolarHBondContact O-CB 3.24Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.18Å; L104-L119 HydrophobicContact CD1-CB 3.68Å; L104-N121 HydrophobicContact CD2-CB 3.72Å |
| 105 | N | 94.6 | Very high | 94.7 | Very high | 93 Ų | 93 | 91.9 Ų | 91.9 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.4 | -72.2 | -21 | 0 | 0 | 0 | 112.3 | N101 Q102 L103 N108 K109 | N101-N105 WeakPolarHBondContact O-CB 3.08Å; N101-N105 PolarHBondContact O-N 3.46Å; N101-N105 PolarHBondContact O-ND2 3.46Å; Q102-N105 PolarHBondContact O-N 2.9Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 3.11Å; N105-N108 PolarHBondContact O-N 3.44Å; N105-K109 WeakPolarHBondContact O-CG 3.3Å; N105-K109 PolarHBondContact O-N 3.04Å |
| 106 | N | 96.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 89.6 Ų | 89.6 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.1 | -70.1 | -16.7 | 0 | 0 | 0 | 111.9 | Q102 L103 N108 K109 H110 | Q102-N106 VanDerWaalsContact O-CG 3.28Å; Q102-N106 PolarHBondContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.87Å; L103-N106 PolarHBondContact O-N 2.77Å; N106-N108 VanDerWaalsContact C-N 3.35Å; N106-K109 PolarHBondContact O-N 3.4Å; N106-H110 PolarHBondContact O-CD2 3.34Å; N106-H110 PolarHBondContact O-N 3.01Å |
| 107 | I | 96.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 88.7 Ų | 88.7 | 36% | 0.359 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.6 | -68 | 167.4 | 0 | 0 | 0 | 110.5 | L103 L104 K109 H110 R111 L119 | L103-I107 HydrophobicContact CD1-CD1 4.09Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 WeakPolarHBondContact O-CG1 3.48Å; L103-I107 PolarHBondContact O-N 3.49Å; L104-I107 PolarHBondContact O-N 3.46Å; I107-K109 PolarHBondContact O-N 3.35Å; I107-H110 PolarHBondContact O-N 3.28Å; I107-R111 HydrophobicContact CG2-CG 4.31Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.33Å; I107-L119 HydrophobicContact CG2-CD1 3.8Å |
| 108 | N | 96.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 90.9 Ų | 90.9 | 15% | 0.15 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | -179.7 | -77.6 | -15.5 | 0 | 0 | 0 | 113 | L104 N105 N106 R111 E112 P118 L119 | L104-N108 WeakPolarHBondContact O-CB 3.24Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.18Å; N105-N108 PolarHBondContact O-N 3.44Å; N106-N108 VanDerWaalsContact C-N 3.35Å; N108-R111 PolarHBondContact O-N 3.34Å; N108-E112 PolarHBondContact O-N 3.44Å; N108-P118 HydrophobicContact CB-CB 4.45Å; N108-L119 PolarHBondContact ND2-O 3.5Å; N108-L119 WeakPolarHBondContact OD1-CB 3.36Å; N108-L119 PolarHBondContact OD1-N 3.44Å |
| 109 | K | 95.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 92.6 Ų | 92.6 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.4 | -48.2 | 168.9 | -72.1 | 173.2 | 179.4 | 179.3 | 0 | 111.9 | N105 N106 I107 R111 E112 D113 | N105-K109 WeakPolarHBondContact O-CG 3.3Å; N105-K109 PolarHBondContact O-N 3.04Å; N106-K109 PolarHBondContact O-N 3.4Å; I107-K109 PolarHBondContact O-N 3.35Å; K109-R111 PolarHBondContact O-N 3.4Å; K109-E112 VanDerWaalsContact O-CB 3.3Å; K109-E112 WeakPolarHBondContact O-CB 3.39Å; K109-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-N 3.14Å; K109-D113 PolarHBondContact O-N 3.32Å |
| 110 | H | 95.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 96.7 Ų | 96.7 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -28.2 | 176 | -69.2 | -44.9 | 0 | 0 | 0 | 113.4 | N106 I107 D113 F114 | N106-H110 PolarHBondContact O-CD2 3.34Å; N106-H110 PolarHBondContact O-N 3.01Å; I107-H110 PolarHBondContact O-N 3.28Å; H110-D113 WeakPolarHBondContact CA-OD2 3.43Å; H110-D113 IonicContact ND1-OD2 3.35Å; H110-D113 PolarHBondContact ND1-OD2 3.44Å; H110-F114 WeakPolarHBondContact O-CD2 3.46Å |
| 111 | R | 96.3 | Very high | 93.9 | Very high | 65 Ų | 65 | 95 Ų | 95 | 25% | 0.245 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 173.8 | -72.2 | 175.9 | 70.8 | 81.1 | -0.3 | 111.8 | I107 N108 K109 D113 F114 D115 L116 A117 | I107-R111 HydrophobicContact CG2-CG 4.31Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.33Å; N108-R111 PolarHBondContact O-N 3.34Å; K109-R111 PolarHBondContact O-N 3.4Å; R111-D113 VanDerWaalsContact C-N 3.34Å; R111-F114 CarbonylContact O-C 3.58Å; R111-F114 PolarHBondContact O-N 3.26Å; R111-F114 VanDerWaalsContact O-N 3.13Å; R111-D115 PolarHBondContact O-N 3.47Å; R111-L116 HydrophobicContact CB-CB 3.88Å; R111-L116 HydrophobicContact CG-CB 4.24Å; R111-L116 HydrophobicContact CG-CD1 4.48Å; R111-L116 WeakPolarHBondContact O-CB 3.35Å; R111-L116 PolarHBondContact O-N 3.19Å; R111-A117 VanDerWaalsContact CZ-O 3.22Å; R111-A117 PolarHBondContact NE-O 2.85Å; R111-A117 PolarHBondContact NH2-O 3.14Å |
| 112 | E | 95.1 | Very high | 93.5 | Very high | 150 Ų | 150 | 98 Ų | 98 | 70% | 0.701 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -42.5 | 171.4 | -166.9 | 174.7 | -174.5 | 0 | 0 | 111.2 | N108 K109 F114 D115 | N108-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-CB 3.3Å; K109-E112 WeakPolarHBondContact O-CB 3.39Å; K109-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-N 3.14Å; E112-F114 PolarHBondContact O-N 3.4Å; E112-D115 PolarHBondContact O-N 2.87Å |
| 113 | D | 95.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.4 | 174 | -60.2 | -35.9 | 0 | 0 | 0 | 114.2 | K109 H110 R111 | K109-D113 PolarHBondContact O-N 3.32Å; H110-D113 WeakPolarHBondContact CA-OD2 3.43Å; H110-D113 IonicContact ND1-OD2 3.35Å; H110-D113 PolarHBondContact ND1-OD2 3.44Å; R111-D113 VanDerWaalsContact C-N 3.34Å |
| 114 | F | 94.7 | Very high | 91.7 | Very high | 155 Ų | 155 | 101.3 Ų | 101.3 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 18.5 | -178.4 | -68 | -67.3 | 0 | 0 | 0 | 113.7 | H110 R111 E112 L116 | H110-F114 WeakPolarHBondContact O-CD2 3.46Å; R111-F114 CarbonylContact O-C 3.58Å; R111-F114 PolarHBondContact O-N 3.26Å; R111-F114 VanDerWaalsContact O-N 3.13Å; E112-F114 PolarHBondContact O-N 3.4Å; F114-L116 HydrophobicContact CB-CD1 4.22Å; F114-L116 HydrophobicContact CB-CG 4.12Å; F114-L116 PolarHBondContact O-N 3.39Å; F114-L116 VanDerWaalsContact O-N 3.13Å |
| 115 | D | 92.3 | Very high | 90.6 | Very high | 164 Ų | 164 | 103.6 Ų | 103.6 | 88% | 0.877 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.5 | -177.1 | -65.8 | -51 | 0 | 0 | 0 | 114.5 | R111 E112 | R111-D115 PolarHBondContact O-N 3.47Å; E112-D115 PolarHBondContact O-N 2.87Å |
| 116 | L | 94.1 | Very high | 89.5 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 130.2 | 179.8 | -63.8 | 178 | 0 | 0 | 0 | 111.3 | R111 F114 | R111-L116 HydrophobicContact CB-CB 3.88Å; R111-L116 HydrophobicContact CG-CB 4.24Å; R111-L116 HydrophobicContact CG-CD1 4.48Å; R111-L116 WeakPolarHBondContact O-CB 3.35Å; R111-L116 PolarHBondContact O-N 3.19Å; F114-L116 HydrophobicContact CB-CD1 4.22Å; F114-L116 HydrophobicContact CB-CG 4.12Å; F114-L116 PolarHBondContact O-N 3.39Å; F114-L116 VanDerWaalsContact O-N 3.13Å |
| 117 | A | 92.4 | Very high | 88.1 | Confident | 73 Ų | 73 | 104.3 Ų | 104.3 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 139 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R111 | R111-A117 VanDerWaalsContact CZ-O 3.22Å; R111-A117 PolarHBondContact NE-O 2.85Å; R111-A117 PolarHBondContact NH2-O 3.14Å |
| 118 | P | 92.7 | Very high | 86.2 | Confident | 96 Ų | 96 | 105.8 Ų | 105.8 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -65 | 144.2 | -175.7 | 26.3 | -35 | 0 | 0 | 0 | 112.2 | N108 | N108-P118 HydrophobicContact CB-CB 4.45Š|
| 119 | L | 92.8 | Very high | 84.4 | Confident | 76 Ų | 76 | 109.6 Ų | 109.6 | 40% | 0.398 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 132.5 | 170.8 | -59.1 | 178.3 | 0 | 0 | 0 | 109.4 | L104 I107 N108 | L104-L119 HydrophobicContact CD1-CB 3.68Å; I107-L119 HydrophobicContact CG2-CD1 3.8Å; N108-L119 PolarHBondContact ND2-O 3.5Å; N108-L119 WeakPolarHBondContact OD1-CB 3.36Å; N108-L119 PolarHBondContact OD1-N 3.44Å |
| 120 | Q | 89.2 | Confident | 82.7 | Confident | 175 Ų | 175 | 106.3 Ų | 106.3 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 150.9 | 172.6 | -62.7 | -170 | 7.2 | 0 | 0 | 111 | P122 | Q120-P122 WeakPolarHBondContact O-CD 3.33Š|
| 121 | N | 85 | Confident | 80.9 | Confident | 41 Ų | 41 | 105.9 Ų | 105.9 | 22% | 0.219 | 54% | 0.538 | C | S | . | . | trans | -79.7 | 115.3 | 168 | -176.1 | -6.5 | 0 | 0 | 0 | 109 | Y97 Y100 N101 L104 Y123 | Y97-N121 PolarHBondContact OH-ND2 3.35Å; Y97-N121 VanDerWaalsContact OH-ND2 3.13Å; Y100-N121 HydrophobicContact CE1-CB 4.16Å; Y100-N121 VanDerWaalsContact CE1-CG 3.49Å; Y100-N121 WeakPolarHBondContact CE1-OD1 3.41Å; N101-N121 PolarHBondContact OD1-ND2 3.46Å; N101-N121 VanDerWaalsContact OD1-ND2 3.12Å; L104-N121 HydrophobicContact CD2-CB 3.72Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.83Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.4Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.36Å; N121-Y123 PolarHBondContact OD1-N 3.44Å; N121-Y123 PolarHBondContact OD1-O 2.93Å | ||
| 122 | P | 82.6 | Confident | 78.8 | Confident | 102 Ų | 102 | 108.8 Ų | 108.8 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | trans | -78.7 | -10 | 177.3 | 34.1 | -35.3 | 0 | 0 | 0 | 112.8 | Q120 | Q120-P122 WeakPolarHBondContact O-CD 3.33Š| ||
| 123 | Y | 79.4 | Confident | 76.9 | Confident | 156 Ų | 156 | 105.3 Ų | 105.3 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -96.4 | 131.1 | -177.5 | -55.3 | -73 | 0 | 0 | 0 | 111.4 | Y97 N121 | Y97-Y123 PolarHBondContact OH-O 3.22Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.83Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.4Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.36Å; N121-Y123 PolarHBondContact OD1-N 3.44Å; N121-Y123 PolarHBondContact OD1-O 2.93Å |
| 124 | K | 74.1 | Confident | 75 | Confident | 146 Ų | 146 | 105.7 Ų | 105.7 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 153.9 | 169.7 | -78.1 | 163.8 | 160.9 | -99 | 0 | 111 | E128 | K124-E128 WeakPolarHBondContact CD-OE2 3.18Å; K124-E128 IonicContact NZ-OE2 2.57Å; K124-E128 PolarHBondContact NZ-OE2 3.43Å |
| 125 | T | 72.9 | Confident | 73.1 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 139.9 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 110.5 | Y97 K127 E128 | Y97-T125 HydrophobicContact CE1-CG2 4.28Å; T125-K127 PolarHBondContact O-N 3.35Å; T125-E128 PolarHBondContact O-N 3.33Å; T125-E128 VanDerWaalsContact O-N 3.16Å |
| 126 | P | 71.1 | Confident | 71.4 | Confident | 21 Ų | 21 | 100 Ų | 100 | 14% | 0.136 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -58.8 | -13.8 | -178.6 | -28.5 | 35.5 | 0 | 0 | 0 | 115.3 | I93 Q94 Y97 V129 L130 | I93-P126 HydrophobicContact CG2-CB 4.23Å; I93-P126 HydrophobicContact CG2-CG 4.13Å; Q94-P126 HydrophobicContact CG-CB 4.27Å; Y97-P126 VanDerWaalsContact CD1-CD 3.44Å; Y97-P126 HydrophobicContact CD1-CG 3.99Å; Y97-P126 HydrophobicContact CD2-CG 3.94Å; Y97-P126 VanDerWaalsContact CG-CD 3.48Å; Y97-P126 HydrophobicContact CG-CG 3.62Å; P126-V129 PolarHBondContact O-N 2.73Å; P126-L130 PolarHBondContact O-N 3.42Å |
| 127 | K | 65.8 | Low | 69.5 | Low | 161 Ų | 161 | 97.9 Ų | 97.9 | 70% | 0.7 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 175.3 | -67.1 | -174.1 | 176.5 | -176.2 | 0 | 111.6 | T125 V129 L130 | T125-K127 PolarHBondContact O-N 3.35Å; K127-V129 PolarHBondContact O-N 3.31Å; K127-L130 PolarHBondContact O-N 2.84Å |
| 128 | E | 57.9 | Low | 67.7 | Low | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -24.3 | 179.4 | -68.9 | 179.2 | -148.2 | 0 | 0 | 113.5 | K124 T125 | K124-E128 WeakPolarHBondContact CD-OE2 3.18Å; K124-E128 IonicContact NZ-OE2 2.57Å; K124-E128 PolarHBondContact NZ-OE2 3.43Å; T125-E128 PolarHBondContact O-N 3.33Å; T125-E128 VanDerWaalsContact O-N 3.16Å |
| 129 | V | 57.8 | Low | 65.9 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -85.4 | -23.7 | -179.7 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | P126 K127 | P126-V129 PolarHBondContact O-N 2.73Å; K127-V129 PolarHBondContact O-N 3.31Å |
| 130 | L | 59.5 | Low | 64.2 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -91.7 | -26 | -169.2 | -172.6 | 58.2 | 0 | 0 | 0 | 114.3 | V90 P126 K127 N132 | V90-L130 HydrophobicContact CB-CD1 4.35Å; V90-L130 HydrophobicContact CG1-CD1 3.72Å; V90-L130 HydrophobicContact CG1-CD2 3.61Å; V90-L130 HydrophobicContact CG1-CG 4.3Å; V90-L130 HydrophobicContact CG2-CD1 3.65Å; P126-L130 PolarHBondContact O-N 3.42Å; K127-L130 PolarHBondContact O-N 2.84Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.14Å |
| 131 | E | 57.2 | Low | 62.4 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -71.3 | -20.8 | -169.4 | -65.7 | -158.3 | 106.1 | 0 | 0 | 115.2 | H133 K134 | E131-H133 PolarHBondContact O-N 3.06Å; E131-K134 PolarHBondContact O-N 3.47Å; E131-K134 IonicContact OE1-NZ 2.61Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å |
| 132 | N | 52.3 | Low | 60.6 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -66.2 | 10 | -174.7 | -65.1 | -27.1 | 0 | 0 | 0 | 116.1 | L130 | L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.14Å |
| 133 | H | 56.2 | Low | 59.1 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 36% | 0.356 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -136.2 | 10.6 | -174.6 | -72.2 | -84.2 | 0 | 0 | 0 | 115.2 | R86 E131 D135 T136 T137 | R86-H133 PolarHBondContact NH1-CD2 2.61Å; R86-H133 VanDerWaalsContact NH1-CD2 3.27Å; R86-H133 PolarHBondContact NH1-CE1 3.26Å; R86-H133 VanDerWaalsContact NH1-CG 3.33Å; R86-H133 PolarHBondContact NH1-ND1 3.41Å; R86-H133 PolarHBondContact NH1-NE2 3.34Å; R86-H133 PolarHBondContact NH2-CD2 3.04Å; R86-H133 VanDerWaalsContact NH2-CG 3.34Å; E131-H133 PolarHBondContact O-N 3.06Å; H133-D135 PolarHBondContact O-N 2.78Å; H133-T136 PolarHBondContact O-N 3.28Å; H133-T137 PolarHBondContact O-N 3.4Å; H133-T137 PolarHBondContact O-OG1 3.1Å; H133-T137 VanDerWaalsContact O-OG1 3.06Å |
| 134 | K | 55.1 | Low | 57.8 | Low | 124 Ų | 124 | 94.5 Ų | 94.5 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 173.9 | -70.9 | 174.3 | 174.9 | 176.1 | 0 | 111.6 | E131 | E131-K134 PolarHBondContact O-N 3.47Å; E131-K134 IonicContact OE1-NZ 2.61Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å |
| 135 | D | 55.2 | Low | 56.3 | Low | 127 Ų | 127 | 93.7 Ų | 93.7 | 68% | 0.679 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -74.9 | -41.3 | -178.7 | -55.4 | -38.5 | 0 | 0 | 0 | 113 | H133 T137 K138 | H133-D135 PolarHBondContact O-N 2.78Å; D135-T137 PolarHBondContact O-N 3.22Å; D135-K138 PolarHBondContact O-N 3.5Å |
| 136 | T | 56 | Low | 54.8 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -33.4 | 179.7 | -32.2 | 0 | 0 | 0 | 0 | 112.2 | H133 I140 | H133-T136 PolarHBondContact O-N 3.28Å; T136-I140 HydrophobicContact CG2-CD1 4.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.37Å |
| 137 | T | 54 | Low | 53.5 | Low | 42 Ų | 42 | 99.4 Ų | 99.4 | 26% | 0.258 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.7 | -33 | -176.4 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | W83 H133 D135 C141 | W83-T137 HydrophobicContact CZ2-CG2 3.87Å; H133-T137 PolarHBondContact O-N 3.4Å; H133-T137 PolarHBondContact O-OG1 3.1Å; H133-T137 VanDerWaalsContact O-OG1 3.06Å; D135-T137 PolarHBondContact O-N 3.22Å; T137-C141 PolarHBondContact O-N 3.18Å |
| 138 | K | 55.2 | Low | 52.2 | Low | 157 Ų | 157 | 98.8 Ų | 98.8 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -48.2 | 176.6 | -74.1 | -173.7 | 175.6 | -174.5 | 0 | 111.6 | D135 I140 C141 S142 | D135-K138 PolarHBondContact O-N 3.5Å; K138-I140 PolarHBondContact O-N 3.17Å; K138-C141 PolarHBondContact O-N 2.87Å; K138-S142 PolarHBondContact O-N 3.02Å; K138-S142 PolarHBondContact O-OG 3.33Å |
| 139 | V | 54.2 | Low | 51.3 | Low | 76 Ų | 76 | 99.6 Ų | 99.6 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -55.8 | -51.3 | 180 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | C141 S142 E143 | V139-C141 PolarHBondContact O-N 3.03Å; V139-S142 PolarHBondContact O-OG 3.43Å; V139-E143 WeakPolarHBondContact O-CG 3.45Å; V139-E143 PolarHBondContact O-N 3.4Å |
| 140 | I | 56.8 | Low | 50.3 | Low | 72 Ų | 72 | 102.5 Ų | 102.5 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | -174.7 | -62.3 | 167.7 | 0 | 0 | 0 | 111.8 | V79 T136 K138 T144 | V79-I140 HydrophobicContact CG1-CG2 4.23Å; T136-I140 HydrophobicContact CG2-CD1 4.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.37Å; K138-I140 PolarHBondContact O-N 3.17Å; I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-OG1 3.33Å |
| 141 | C | 52.1 | Low | 49.8 | Very low | 66 Ų | 66 | 104.5 Ų | 104.5 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -84.3 | -25.6 | -176.9 | -67.2 | 0 | 0 | 0 | 0 | 114.5 | T137 K138 V139 T144 | T137-C141 PolarHBondContact O-N 3.18Å; K138-C141 PolarHBondContact O-N 2.87Å; V139-C141 PolarHBondContact O-N 3.03Å; C141-T144 PolarHBondContact O-OG1 3.27Å |
| 142 | S | 48.2 | Very low | 49.3 | Very low | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.7 | -31.4 | 174.7 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | K138 V139 G146 | K138-S142 PolarHBondContact O-N 3.02Å; K138-S142 PolarHBondContact O-OG 3.33Å; V139-S142 PolarHBondContact O-OG 3.43Å; S142-G146 PolarHBondContact O-N 2.96Å |
| 143 | E | 50.3 | Low | 48.9 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.9 | -37.7 | 178 | -70.1 | 174.8 | 177.7 | 0 | 0 | 112.3 | V139 N145 L147 | V139-E143 WeakPolarHBondContact O-CG 3.45Å; V139-E143 PolarHBondContact O-N 3.4Å; E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.48Å; E143-L147 WeakPolarHBondContact O-CG 3.39Å |
| 144 | T | 51.9 | Low | 48.1 | Very low | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.6 | -26.2 | -179.8 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | I140 C141 | I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-OG1 3.33Å; C141-T144 PolarHBondContact O-OG1 3.27Å |
| 145 | N | 43.5 | Very low | 47.7 | Very low | 128 Ų | 128 | 108 Ų | 108 | 68% | 0.684 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -97.7 | -12 | -175.7 | -61.7 | 6.7 | 0 | 0 | 0 | 112.6 | E143 | E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.48Å |
| 146 | G | 39.7 | Very low | 47.3 | Very low | 62 Ų | 62 | 107.3 Ų | 107.3 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -103.1 | -3.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S142 | S142-G146 PolarHBondContact O-N 2.96Å |
| 147 | L | 44.2 | Very low | 46.3 | Very low | 140 Ų | 140 | 106.5 Ų | 106.5 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -95.7 | -1.1 | 177.5 | -79 | 170 | 0 | 0 | 0 | 113.9 | E143 N149 | E143-L147 WeakPolarHBondContact O-CG 3.39Å; L147-N149 PolarHBondContact O-N 2.96Å |
| 148 | E | 38.4 | Very low | 45.4 | Very low | 148 Ų | 148 | 109.8 Ų | 109.8 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -72.8 | 123.1 | 162.5 | -62.7 | -166.2 | 170.5 | 0 | 0 | 109.9 | ||
| 149 | N | 39.1 | Very low | 44.6 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 74.7 | 97.6 | 166.1 | -45.4 | -63 | 0 | 0 | 0 | 117.2 | L147 | L147-N149 PolarHBondContact O-N 2.96Š|
| 150 | E | 38.1 | Very low | 44 | Very low | 167 Ų | 167 | 113.7 Ų | 113.7 | 78% | 0.78 | 62% | 0.618 | S | S | * | * | S | Bend | 161.6 | -45 | 114.2 | -85.8 | -168.2 | 158 | 0 | 0 | 111 | I152 K153 | E150-I152 PolarHBondContact O-N 2.99Å; E150-K153 WeakPolarHBondContact O-CB 3.42Å; E150-K153 PolarHBondContact O-N 3.35Å | |
| 151 | S | 47.4 | Very low | 43.1 | Very low | 101 Ų | 101 | 113.1 Ų | 113.1 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -41.1 | -170 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 152 | I | 48.4 | Very low | 42.5 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -25.2 | -179.1 | -56.6 | 175.2 | 0 | 0 | 0 | 111.7 | E150 G154 Y155 L156 | E150-I152 PolarHBondContact O-N 2.99Å; I152-G154 PolarHBondContact O-N 3.31Å; I152-Y155 PolarHBondContact O-N 2.6Å; I152-Y155 VanDerWaalsContact O-N 3.08Å; I152-L156 HydrophobicContact CG2-CD1 3.86Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 PolarHBondContact O-N 3.22Å |
| 153 | K | 43.7 | Very low | 42.3 | Very low | 140 Ų | 140 | 117.5 Ų | 117.5 | 61% | 0.609 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65 | -20.9 | 179 | -130.7 | 172.2 | -171.4 | 168.2 | 0 | 112.4 | E150 S157 | E150-K153 WeakPolarHBondContact O-CB 3.42Å; E150-K153 PolarHBondContact O-N 3.35Å; K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 3.26Å; K153-S157 PolarHBondContact O-OG 2.91Å |
| 154 | G | 38.4 | Very low | 41.8 | Very low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.2 | -30.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I152 | I152-G154 PolarHBondContact O-N 3.31Å |
| 155 | Y | 47.2 | Very low | 41.3 | Very low | 208 Ų | 208 | 124.9 Ų | 124.9 | 82% | 0.816 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.6 | -22.4 | -178.1 | -66.3 | -82.3 | 0 | 0 | 0 | 113.6 | I152 | I152-Y155 PolarHBondContact O-N 2.6Å; I152-Y155 VanDerWaalsContact O-N 3.08Å |
| 156 | L | 47.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 59% | 0.586 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -101 | -4 | 177.6 | -66.5 | 176.9 | 0 | 0 | 0 | 114.4 | I152 | I152-L156 HydrophobicContact CG2-CD1 3.86Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 PolarHBondContact O-N 3.22Å |
| 157 | S | 33.3 | Very low | 42.1 | Very low | 56 Ų | 56 | 125.2 Ų | 125.2 | 39% | 0.392 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -72.2 | 128.8 | 177.5 | -83.2 | 0 | 0 | 0 | 0 | 111.8 | K153 K159 | K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 3.26Å; K153-S157 PolarHBondContact O-OG 2.91Å; S157-K159 PolarHBondContact O-N 3.33Å |
| 158 | P | 36.2 | Very low | 42.2 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -76.4 | 58.8 | 179 | 32.3 | -36.4 | 0 | 0 | 0 | 113.1 | S161 | P158-S161 PolarHBondContact O-OG 3.16Å; P158-S161 VanDerWaalsContact O-OG 3.05Å |
| 159 | K | 39 | Very low | 42.9 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | trans | -95.1 | 1.5 | 170.4 | -71.2 | -166.7 | 174.6 | -174 | 0 | 114 | S157 | S157-K159 PolarHBondContact O-N 3.33Š| ||
| 160 | Q | 41 | Very low | 43.6 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -90.2 | -0.6 | 170 | -67.2 | -169.6 | -16.5 | 0 | 0 | 113.4 | ||
| 161 | S | 38.7 | Very low | 44.3 | Very low | 60 Ų | 60 | 113.1 Ų | 113.1 | 42% | 0.42 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.3 | -34.2 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | P158 N163 R164 | P158-S161 PolarHBondContact O-OG 3.16Å; P158-S161 VanDerWaalsContact O-OG 3.05Å; S161-N163 VanDerWaalsContact C-N 3.35Å; S161-N163 PolarHBondContact O-N 2.92Å; S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3Å |
| 162 | E | 39.5 | Very low | 44.4 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 66% | 0.659 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 178.9 | -65.8 | -178.5 | 133.3 | 0 | 0 | 111.5 | R164 W165 E166 | E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 2.96Å; E162-W165 PolarHBondContact O-N 2.97Å; E162-E166 PolarHBondContact O-N 2.9Å |
| 163 | N | 43.7 | Very low | 44.5 | Very low | 97 Ų | 97 | 118 Ų | 118 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -30.9 | 178.4 | -62.1 | -4.2 | 0 | 0 | 0 | 112.9 | S161 E166 V167 | S161-N163 VanDerWaalsContact C-N 3.35Å; S161-N163 PolarHBondContact O-N 2.92Å; N163-E166 PolarHBondContact O-N 3.16Å; N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 2.99Å |
| 164 | R | 39.3 | Very low | 44.8 | Very low | 173 Ų | 173 | 115.3 Ų | 115.3 | 65% | 0.653 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -46.1 | 179.6 | -171.5 | -179.8 | -179.8 | 174.5 | 7.2 | 111.3 | S161 E162 E166 E168 | S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3Å; E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 2.96Å; R164-E166 VanDerWaalsContact C-N 3.32Å; R164-E166 PolarHBondContact O-N 3.35Å; R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 3.43Å; R164-E168 WeakPolarHBondContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.1Å |
| 165 | W | 42.1 | Very low | 45.4 | Very low | 179 Ų | 179 | 120.2 Ų | 120.2 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.4 | -33.2 | 177.3 | -60.8 | 108.9 | 0 | 0 | 0 | 112.4 | E162 S169 | E162-W165 PolarHBondContact O-N 2.97Å; W165-S169 WeakPolarHBondContact O-CB 3.44Å; W165-S169 PolarHBondContact O-N 2.76Å; W165-S169 PolarHBondContact O-OG 2.92Å |
| 166 | E | 46.2 | Very low | 45.4 | Very low | 103 Ų | 103 | 118 Ų | 118 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.8 | -38.5 | -179.4 | -143.5 | -169.6 | 148.5 | 0 | 0 | 112.5 | E162 N163 R164 K170 | E162-E166 PolarHBondContact O-N 2.9Å; N163-E166 PolarHBondContact O-N 3.16Å; R164-E166 VanDerWaalsContact C-N 3.32Å; R164-E166 PolarHBondContact O-N 3.35Å; E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 WeakPolarHBondContact O-CD 3.47Å; E166-K170 VanDerWaalsContact O-CG 3.26Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 VanDerWaalsContact OE1-CE 3.27Å; E166-K170 WeakPolarHBondContact OE1-CE 3.26Å; E166-K170 IonicContact OE1-NZ 3.92Å; E166-K170 PolarHBondContact OE1-NZ 3.23Å |
| 167 | V | 53.1 | Low | 45.2 | Very low | 94 Ų | 94 | 116 Ų | 116 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.7 | -47 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | N163 S169 K170 V171 | N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 2.99Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 3.17Å; V167-K170 PolarHBondContact O-N 2.86Å; V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 3.13Å |
| 168 | E | 46.6 | Very low | 45.7 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 34% | 0.341 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 176.9 | -72.6 | -175.6 | -155 | 0 | 0 | 112.4 | R164 R172 | R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 3.43Å; R164-E168 WeakPolarHBondContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.1Å; E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 2.9Å |
| 169 | S | 52.2 | Low | 46.1 | Very low | 56 Ų | 56 | 121 Ų | 121 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | 174.1 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | W165 V167 R172 Q173 | W165-S169 WeakPolarHBondContact O-CB 3.44Å; W165-S169 PolarHBondContact O-N 2.76Å; W165-S169 PolarHBondContact O-OG 2.92Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 3.17Å; S169-R172 PolarHBondContact O-N 3.47Å; S169-Q173 WeakPolarHBondContact O-CB 3.46Å; S169-Q173 VanDerWaalsContact O-CG 3.29Å; S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.3Å |
| 170 | K | 54.2 | Low | 46.3 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 177.1 | -74.4 | 167.4 | -174 | 169.2 | 0 | 111.3 | E166 V167 R172 Q173 S174 | E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 WeakPolarHBondContact O-CD 3.47Å; E166-K170 VanDerWaalsContact O-CG 3.26Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 VanDerWaalsContact OE1-CE 3.27Å; E166-K170 WeakPolarHBondContact OE1-CE 3.26Å; E166-K170 IonicContact OE1-NZ 3.92Å; E166-K170 PolarHBondContact OE1-NZ 3.23Å; V167-K170 PolarHBondContact O-N 2.86Å; K170-R172 PolarHBondContact O-N 3.48Å; K170-Q173 PolarHBondContact O-N 3.48Å; K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 PolarHBondContact O-OG 3.41Å |
| 171 | V | 53.5 | Low | 46.1 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 49% | 0.485 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | V167 K175 | V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 3.13Å; V171-K175 PolarHBondContact O-N 2.97Å |
| 172 | R | 49.3 | Very low | 46 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.4 | -28.5 | 176.6 | -73 | 177.3 | -173.3 | -108.9 | 5 | 113.5 | E168 S169 K170 K176 | E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 2.9Å; S169-R172 PolarHBondContact O-N 3.47Å; K170-R172 PolarHBondContact O-N 3.48Å; R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.34Å |
| 173 | Q | 50.8 | Low | 45.8 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.9 | -42.9 | 174.6 | -75.3 | 177.2 | 11.5 | 0 | 0 | 111.4 | S169 K170 K175 K176 A177 | S169-Q173 WeakPolarHBondContact O-CB 3.46Å; S169-Q173 VanDerWaalsContact O-CG 3.29Å; S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.3Å; K170-Q173 PolarHBondContact O-N 3.48Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å; Q173-K176 PolarHBondContact O-N 3.4Å; Q173-A177 PolarHBondContact O-N 2.68Å |
| 174 | S | 48.9 | Very low | 45.4 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.6 | -42.8 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | K170 K176 A177 S178 | K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 PolarHBondContact O-OG 3.41Å; S174-K176 PolarHBondContact O-N 3.28Å; S174-A177 PolarHBondContact O-N 3.48Å; S174-S178 PolarHBondContact O-N 3.28Å |
| 175 | K | 50.6 | Low | 45.4 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 70% | 0.7 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67 | -19.2 | 175.5 | -71.1 | -175 | 177.4 | -177.6 | 0 | 114.2 | V171 Q173 | V171-K175 PolarHBondContact O-N 2.97Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å |
| 176 | K | 48.5 | Very low | 45.1 | Very low | 161 Ų | 161 | 130 Ų | 130 | 70% | 0.7 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -95.8 | -20.6 | 176.3 | -73 | 179.8 | 178.3 | -178.2 | 0 | 113.8 | R172 Q173 S174 | R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.34Å; Q173-K176 PolarHBondContact O-N 3.4Å; S174-K176 PolarHBondContact O-N 3.28Å |
| 177 | A | 42.2 | Very low | 44.7 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.7 | -35.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q173 S174 H179 | Q173-A177 PolarHBondContact O-N 2.68Å; S174-A177 PolarHBondContact O-N 3.48Å; A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 2.97Å |
| 178 | S | 44.1 | Very low | 44.1 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -4.5 | -174.4 | -155.5 | 0 | 0 | 0 | 0 | 115.7 | S174 | S174-S178 PolarHBondContact O-N 3.28Š|
| 179 | H | 44.7 | Very low | 43.5 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 16.7 | -177.8 | -83.8 | -64.7 | 0 | 0 | 0 | 114.5 | A177 | A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 2.97Å |
| 180 | K | 43.1 | Very low | 42.9 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -114.1 | 1.9 | -176.7 | -86 | -172.5 | 171.7 | -174.8 | 0 | 116.9 | ||
| 181 | N | 37.2 | Very low | 42 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -116.7 | 61.1 | 178.5 | -78 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 182 | T | 36.6 | Very low | 41.4 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -137.2 | 101 | 164.5 | -34.6 | 0 | 0 | 0 | 0 | 109.2 | P184 | T182-P184 WeakPolarHBondContact O-CD 3.36Š| ||
| 183 | K | 36.1 | Very low | 40.8 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -113.8 | 96 | -172.8 | -169.9 | -176.3 | -171.6 | -176.9 | 0 | 108.6 | Q185 | K183-Q185 PolarHBondContact O-N 2.96Å; K183-Q185 VanDerWaalsContact O-N 3.16Å | ||
| 184 | P | 35.2 | Very low | 40.2 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 106.5 | 177.6 | 29 | -30.3 | 0 | 0 | 0 | 109.1 | T182 Q186 | T182-P184 WeakPolarHBondContact O-CD 3.36Å; P184-Q186 PolarHBondContact O-N 2.99Å | ||
| 185 | Q | 39.2 | Very low | 39.8 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -74 | 125.5 | 173.6 | -169.8 | 169.6 | -13.1 | 0 | 0 | 109.1 | K183 | K183-Q185 PolarHBondContact O-N 2.96Å; K183-Q185 VanDerWaalsContact O-N 3.16Å | ||
| 186 | Q | 35.7 | Very low | 39.3 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 144.2 | 179.8 | -61.9 | 169.1 | -44.8 | 0 | 0 | 111 | P184 | P184-Q186 PolarHBondContact O-N 2.99Š| ||
| 187 | N | 37.8 | Very low | 38.8 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -168 | 131.9 | 136.7 | -95.2 | -23.2 | 0 | 0 | 0 | 114.3 | ||||
| 188 | S | 40 | Very low | 38.6 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 48 | 91.6 | 150.6 | 61.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 189 | S | 34.2 | Very low | 38.1 | Very low | 110 Ų | 110 | 152.9 Ų | 152.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 46.7 | 108.3 | 110.1 | 179.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 190 | V | 38.2 | Very low | 37.7 | Very low | 146 Ų | 146 | 153 Ų | 153 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 131 | 133.3 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 191 | K | 36.2 | Very low | 37.3 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -94.1 | 139.7 | 171.6 | -74.4 | 176.3 | 173.6 | 177.6 | 0 | 110.4 | ||||
| 192 | T | 40 | Very low | 37 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -139.5 | 154 | 139.7 | 43.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 193 | S | 37.4 | Very low | 37.3 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -120.9 | -177.1 | -160.7 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 194 | N | 38.9 | Very low | 37.4 | Very low | 134 Ų | 134 | 152 Ų | 152 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 82.6 | 144.4 | 169.5 | -63.7 | 27.6 | 0 | 0 | 0 | 116.6 | ||||
| 195 | E | 40.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | cis | -172.7 | 165.4 | -32 | -130.9 | -179.8 | -151 | 0 | 0 | 109.7 | ||||
| 196 | N | 39.5 | Very low | 37.9 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 85.5 | 154.4 | -59.6 | -35.8 | 0 | 0 | 0 | 122.6 | ||||
| 197 | F | 37.3 | Very low | 38.2 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | 50.9 | 139.8 | 106.6 | -85 | -73.4 | 0 | 0 | 0 | 125.1 | |||||
| 198 | K | 38.7 | Very low | 38.6 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 88.5 | 89 | 144.7 | -75.2 | 175.7 | -177.6 | -177.6 | 0 | 122.2 | ||||
| 199 | E | 32.4 | Very low | 38.5 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | 36 | 113 | 101.2 | -169.9 | 178.5 | -136.9 | 0 | 0 | 119.7 | |||||
| 200 | I | 37.7 | Very low | 38.8 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -142.3 | 152.7 | 157.7 | -64.9 | -171.4 | 0 | 0 | 0 | 110.5 | ||||
| 201 | Q | 35.3 | Very low | 38.7 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -102.3 | 159.7 | -160.9 | -74.9 | -175.5 | 7.6 | 0 | 0 | 118.3 | ||||
| 202 | F | 30.7 | Very low | 38.8 | Very low | 201 Ų | 201 | 155.4 Ų | 155.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 28.3 | 131.8 | 143.1 | -73.4 | -80 | 0 | 0 | 0 | 123.6 | ||||
| 203 | S | 41 | Very low | 38.5 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -179.3 | 171.8 | 131.9 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | K | 38.9 | Very low | 38.4 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | -168.8 | 147.4 | -74.1 | -176 | 175.3 | -177.8 | -179.6 | 0 | 110 | |||||
| 205 | R | 42.1 | Very low | 38.2 | Very low | 218 Ų | 218 | 159.8 Ų | 159.8 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | 115.1 | 149 | 171.8 | -70.5 | 178.7 | -79.4 | -172.8 | -6.2 | 114.7 | ||||
| 206 | D | 44.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 160.8 Ų | 160.8 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | -152.5 | 177 | -4.1 | -123.3 | -43.4 | 0 | 0 | 0 | 114.2 | ||||
| 207 | H | 40.5 | Very low | 37.6 | Very low | 182 Ų | 182 | 159.6 Ų | 159.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -66 | 159.7 | -166.7 | -79 | -89.2 | 0 | 0 | 0 | 120.8 | ||||
| 208 | G | 45.7 | Very low | 37.3 | Very low | 82 Ų | 82 | 157.8 Ų | 157.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -174 | 114.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 209 | D | 38.4 | Very low | 37.2 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -117.1 | 140 | -161 | -169.8 | 9.7 | 0 | 0 | 0 | 113.8 | ||||
| 210 | S | 40.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 158 Ų | 158 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -179.4 | 142.3 | 151.5 | -84.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | Q | 36.7 | Very low | 37 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 146.3 | -161.8 | -57.8 | 167.6 | -11.7 | 0 | 0 | 115.7 | ||||
| 212 | K | 37 | Very low | 36.7 | Very low | 204 Ų | 204 | 156.6 Ų | 156.6 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | -175.8 | 123.7 | 125.5 | -104 | 172.4 | -175.1 | -178 | 0 | 111.6 | |||||
| 213 | P | 33.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 130 | 178.1 | -2.4 | 20.8 | 0 | 0 | 0 | 112.2 | ||||
| 214 | L | 36.5 | Very low | 36.5 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | trans | -89 | 112.9 | 164.8 | -97.4 | 158.8 | 0 | 0 | 0 | 109 | ||||
| 215 | H | 33.6 | Very low | 36.1 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -88.9 | 124.3 | -178.8 | -150.4 | -81.2 | 0 | 0 | 0 | 110 | ||||
| 216 | H | 31.7 | Very low | 35.8 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -125.4 | 97.3 | 177 | -163.7 | -43.7 | 0 | 0 | 0 | 109.1 | ||||
| 217 | P | 36.2 | Very low | 35.1 | Very low | 92 Ų | 92 | 150 Ų | 150 | 60% | 0.597 | 81% | 0.813 | S | S | * | * | trans | -103.5 | 109.5 | 178.2 | 33.4 | -23.4 | 0 | 0 | 0 | 110.9 | ||||
| 218 | N | 32.5 | Very low | 35 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -145.8 | 61.2 | 161.6 | -99.5 | -19.5 | 0 | 0 | 0 | 108.4 | ||||
| 219 | E | 35.7 | Very low | 34.3 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -116.7 | 128.5 | 163.4 | -75.3 | -164.6 | 148.8 | 0 | 0 | 109.4 | L221 | E219-L221 PolarHBondContact O-N 2.79Š| ||
| 220 | I | 30.2 | Very low | 33.8 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -86.4 | 111.2 | -173.2 | -62.4 | 166.8 | 0 | 0 | 0 | 108.1 | V222 | I220-V222 HydrophobicContact CG2-CG2 4.26Š| ||
| 221 | L | 35.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -94.5 | 110.6 | 165.2 | -91.2 | 164.6 | 0 | 0 | 0 | 109.7 | E219 | E219-L221 PolarHBondContact O-N 2.79Š| ||
| 222 | V | 29.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -75.4 | 123.2 | 170.8 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | I220 | I220-V222 HydrophobicContact CG2-CG2 4.26Š| ||
| 223 | A | 33.8 | Very low | 33 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -141.6 | 96.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 224 | D | 33.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 18.6 | 126.9 | 143.8 | -73 | -13.6 | 0 | 0 | 0 | 121.1 | ||||
| 225 | N | 30.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 64.2 | 111.8 | 142 | -55.8 | -38.7 | 0 | 0 | 0 | 119.2 | ||||
| 226 | L | 36.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | -172.4 | 130.3 | 109.5 | -116.5 | 81.6 | 0 | 0 | 0 | 110.4 | |||||
| 227 | M | 29.6 | Very low | 32.3 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 136.7 | 171 | -76 | -91.6 | 93.1 | 0 | 0 | 110.7 | ||
| 228 | P | 36.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84 | 129.1 | 160.6 | -8.4 | 26.8 | 0 | 0 | 0 | 110.8 | ||
| 229 | S | 32.8 | Very low | 32.3 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 141 | -178.7 | 48 | 0 | 0 | 0 | 0 | 114.2 | ||
| 230 | T | 28.1 | Very low | 32.4 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 127.7 | 162.1 | 44.7 | 0 | 0 | 0 | 0 | 111 | ||
| 231 | T | 32.8 | Very low | 32.7 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -99.6 | 113.3 | 172.6 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | I233 | T231-I233 HydrophobicContact CG2-CG1 4.37Š| ||
| 232 | E | 29.5 | Very low | 32.5 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -76 | 129.3 | 168.1 | -62.7 | 179.9 | 150.8 | 0 | 0 | 109.9 | ||||
| 233 | I | 34.7 | Very low | 32.9 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -129.8 | 117.5 | 162.5 | -67.8 | 170.6 | 0 | 0 | 0 | 106.4 | T231 | T231-I233 HydrophobicContact CG2-CG1 4.37Š| ||
| 234 | G | 27 | Very low | 32.9 | Very low | 59 Ų | 59 | 140.3 Ų | 140.3 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -92.7 | -146.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 235 | I | 30 | Very low | 33.2 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 81.5 | 127.1 | -172.6 | -49.3 | 160.4 | 0 | 0 | 0 | 110.3 | ||||
| 236 | S | 33 | Very low | 33.8 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -148.4 | 150.9 | 10 | 40.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 237 | K | 30.5 | Very low | 33.9 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 152.7 | 152.5 | -65.3 | 176.9 | 175.5 | -178.3 | 0 | 109.4 | ||||
| 238 | N | 38 | Very low | 34.2 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 172.6 | 100.1 | 137.1 | -86.2 | -4 | 0 | 0 | 0 | 110 | ||||
| 239 | D | 30.6 | Very low | 34 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 28.9 | 119.1 | 130.5 | -42.7 | -25.7 | 0 | 0 | 0 | 119.5 | ||||
| 240 | S | 38.6 | Very low | 34 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -153.4 | 114.8 | 150.1 | -73.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 241 | E | 35.4 | Very low | 34.2 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -93 | 141.9 | -165.6 | -91 | -176.2 | 148.8 | 0 | 0 | 114.5 | ||||
| 242 | I | 32.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 151.6 | 133.4 | -57.4 | 166 | 0 | 0 | 0 | 119.2 | ||||
| 243 | L | 37.6 | Very low | 34.5 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 91.3 | 126.5 | 170.8 | -50.6 | 179.4 | 0 | 0 | 0 | 117.3 | ||||
| 244 | D | 34.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 171.1 | -34.5 | -108.2 | -15.7 | 0 | 0 | 0 | 107.2 | ||||
| 245 | D | 37.9 | Very low | 35 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 57.9 | 109.2 | 161.2 | -54 | -35.9 | 0 | 0 | 0 | 119.6 | ||||
| 246 | D | 44.2 | Very low | 35.3 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | -172.2 | 132.2 | 93.5 | -105 | -33.2 | 0 | 0 | 0 | 113 | |||||
| 247 | D | 39 | Very low | 35.6 | Very low | 130 Ų | 130 | 155.1 Ų | 155.1 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -67.3 | 150.6 | -175.7 | -169.6 | 4 | 0 | 0 | 0 | 113.6 | ||||
| 248 | F | 35.7 | Very low | 35.8 | Very low | 208 Ų | 208 | 154.4 Ų | 154.4 | 91% | 0.912 | 77% | 0.769 | S | S | * | * | trans | -175.7 | 91.5 | 139.3 | -104.3 | -64.4 | 0 | 0 | 0 | 111.9 | ||||
| 249 | S | 32.5 | Very low | 35.7 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -73.4 | 142.6 | 160.8 | -76.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 250 | F | 33.4 | Very low | 35.8 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -124.4 | 132.7 | 155.2 | -144.1 | -89.7 | 0 | 0 | 0 | 109.7 | ||||
| 251 | N | 31.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | -124.6 | 154.6 | -159.7 | -153.5 | 4.4 | 0 | 0 | 0 | 111.5 | ||||
| 252 | E | 32.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | trans | 47.3 | 124.5 | 165 | -60 | -165 | 97.8 | 0 | 0 | 121 | K254 | E252-K254 IonicContact OE1-NZ 2.92Å; E252-K254 PolarHBondContact OE1-NZ 3.12Å | ||
| 253 | E | 35 | Very low | 35.5 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | -133.6 | 112.1 | 116.1 | -162.2 | 174.3 | 170.7 | 0 | 0 | 110.7 | |||||
| 254 | K | 35.4 | Very low | 35.5 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 133 | 170.3 | -72.1 | -171.3 | -178.1 | 84.1 | 0 | 109.7 | E252 | E252-K254 IonicContact OE1-NZ 2.92Å; E252-K254 PolarHBondContact OE1-NZ 3.12Å | ||
| 255 | N | 38 | Very low | 35.6 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -126.8 | 97.8 | 153 | -95.2 | -62 | 0 | 0 | 0 | 110.6 | ||||
| 256 | K | 36.9 | Very low | 35.2 | Very low | 161 Ų | 161 | 162 Ų | 162 | 70% | 0.7 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 133.7 | 166.1 | -80.7 | -174 | 168.1 | -164.6 | 0 | 109.5 | ||||
| 257 | R | 39.3 | Very low | 34.8 | Very low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -138.1 | 126.6 | 139.5 | -70.6 | -163.1 | -176.4 | -138.4 | 0.5 | 109.5 | ||||
| 258 | E | 34.7 | Very low | 34.6 | Very low | 174 Ų | 174 | 159.4 Ų | 159.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 152.5 | 174 | -68.4 | 151.3 | 160 | 0 | 0 | 109.9 | ||||
| 259 | G | 35.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 153.9 Ų | 153.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -169 | 34.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 260 | D | 31.6 | Very low | 34.6 | Very low | 163 Ų | 163 | 155 Ų | 155 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | 60.4 | 160.9 | 155.5 | -139.1 | -8.7 | 0 | 0 | 0 | 121.2 | ||||
| 261 | V | 33.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 156.6 Ų | 156.6 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | trans | -103.9 | 117.7 | -163.5 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 262 | H | 37.2 | Very low | 35.2 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -138.1 | 110.7 | 156.3 | -82.4 | -35.6 | 0 | 0 | 0 | 113.8 | ||||
| 263 | N | 31 | Very low | 35.3 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 118.8 | 171.1 | 177.6 | 13.9 | 0 | 0 | 0 | 111 | ||||
| 264 | R | 36.1 | Very low | 35.3 | Very low | 225 Ų | 225 | 153.9 Ų | 153.9 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | -148.9 | 110.7 | 165.2 | -99.9 | -177.7 | -173.7 | -170 | 2 | 112.7 | ||||
| 265 | N | 37.6 | Very low | 35.3 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 42.4 | 119.7 | 140.5 | -57.6 | -10.1 | 0 | 0 | 0 | 119.5 | S267 | N265-S267 PolarHBondContact O-N 2.91Š| ||
| 266 | F | 29.4 | Very low | 35.3 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | -46.8 | 122.9 | 161.1 | -79.6 | -100.1 | 0 | 0 | 0 | 112 | ||||
| 267 | S | 34.5 | Very low | 35.1 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -119.7 | 110.2 | 163.5 | -176.2 | 0 | 0 | 0 | 0 | 108 | N265 S269 | N265-S267 PolarHBondContact O-N 2.91Å; S267-S269 PolarHBondContact O-N 3.35Å; S267-S269 VanDerWaalsContact O-N 3.16Å | ||
| 268 | V | 35.1 | Very low | 34.8 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -73.1 | 104.2 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 269 | S | 32.5 | Very low | 34.8 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 133.8 | 174.7 | -63 | 0 | 0 | 0 | 0 | 110.6 | S267 | S267-S269 PolarHBondContact O-N 3.35Å; S267-S269 VanDerWaalsContact O-N 3.16Å |
| 270 | P | 37 | Very low | 34.9 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 147.4 | 177.5 | -22.9 | 34.1 | 0 | 0 | 0 | 112.9 | ||
| 271 | W | 37.2 | Very low | 34.9 | Very low | 246 Ų | 246 | 154.4 Ų | 154.4 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.6 | 177.4 | -69.4 | 48.6 | 0 | 0 | 0 | 110.1 | ||
| 272 | P | 39.1 | Very low | 35 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71 | 146.7 | 176.1 | 28.7 | -33.2 | 0 | 0 | 0 | 111.8 | N274 | P272-N274 PolarHBondContact O-N 3.48Š|
| 273 | S | 34.4 | Very low | 34.7 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 125.6 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | E275 | S273-E275 PolarHBondContact O-N 3.46Š|
| 274 | N | 36.1 | Very low | 34.9 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -98.9 | 71.9 | -176.6 | -142.5 | -3.5 | 0 | 0 | 0 | 111.6 | P272 H276 | P272-N274 PolarHBondContact O-N 3.48Å; N274-H276 PolarHBondContact O-N 2.87Å | ||
| 275 | E | 35.8 | Very low | 34.9 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -88.2 | 76.1 | 172.9 | -69 | -164.1 | 156.5 | 0 | 0 | 111.8 | S273 | S273-E275 PolarHBondContact O-N 3.46Š| ||
| 276 | H | 36.4 | Very low | 34.6 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -168.2 | -4.1 | 149.2 | -123.1 | -72.1 | 0 | 0 | 0 | 118.8 | N274 Q278 | N274-H276 PolarHBondContact O-N 2.87Å; H276-Q278 PolarHBondContact O-N 3.49Å | ||
| 277 | F | 34 | Very low | 34.9 | Very low | 187 Ų | 187 | 148 Ų | 148 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | trans | -83.3 | 75.9 | -179.9 | -89.8 | -85.1 | 0 | 0 | 0 | 113.3 | A279 | F277-A279 PolarHBondContact O-N 2.94Š| ||
| 278 | Q | 32.7 | Very low | 34.8 | Very low | 173 Ų | 173 | 148 Ų | 148 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -75 | 72 | 167.1 | -168.3 | 171.1 | 58.7 | 0 | 0 | 110.6 | H276 N280 | H276-Q278 PolarHBondContact O-N 3.49Å; Q278-N280 PolarHBondContact O-N 3.49Å | ||
| 279 | A | 35 | Very low | 34.8 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 108.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | F277 F281 | F277-A279 PolarHBondContact O-N 2.94Å; A279-F281 PolarHBondContact O-N 2.73Å | ||
| 280 | N | 36.8 | Very low | 34.7 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 95 | 176.1 | -79.1 | -59.6 | 0 | 0 | 0 | 110.5 | Q278 C282 | Q278-N280 PolarHBondContact O-N 3.49Å; N280-C282 PolarHBondContact O-N 3.32Å | ||
| 281 | F | 31.8 | Very low | 34.5 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 100.2 | 168.3 | -88.9 | -91.2 | 0 | 0 | 0 | 110.9 | A279 | A279-F281 PolarHBondContact O-N 2.73Š| ||
| 282 | C | 34.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -102.8 | 93.7 | 167.1 | -153.1 | 0 | 0 | 0 | 0 | 108.5 | N280 Y284 | N280-C282 PolarHBondContact O-N 3.32Å; C282-Y284 HydrophobicContact CB-CE2 4.42Å; C282-Y284 PolarHBondContact O-N 3.06Å; C282-Y284 VanDerWaalsContact O-N 3.07Å | ||
| 283 | R | 32.1 | Very low | 34.2 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -55.2 | 113.2 | 173.2 | -69.3 | 177.3 | 177.1 | 158.9 | -1.6 | 109.2 | ||||
| 284 | Y | 35.1 | Very low | 34.2 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -103.9 | 108 | 165.2 | -91.1 | -83.5 | 0 | 0 | 0 | 109 | C282 | C282-Y284 HydrophobicContact CB-CE2 4.42Å; C282-Y284 PolarHBondContact O-N 3.06Å; C282-Y284 VanDerWaalsContact O-N 3.07Å | ||
| 285 | T | 36.4 | Very low | 34.2 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -66.7 | 136.9 | 172 | 47 | 0 | 0 | 0 | 0 | 110.1 | L287 | T285-L287 PolarHBondContact O-N 3.02Š| ||
| 286 | S | 30.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -52.2 | 123.2 | 170.1 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 287 | L | 36.4 | Very low | 34 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -128.6 | 81.8 | 163.1 | -78.1 | 173.6 | 0 | 0 | 0 | 108.3 | T285 | T285-L287 PolarHBondContact O-N 3.02Š| ||
| 288 | S | 31.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 117.2 | 147.9 | 52.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 289 | D | 35.7 | Very low | 34.3 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -159.7 | 143.2 | 148.8 | -94.8 | -33.1 | 0 | 0 | 0 | 108.6 | ||||
| 290 | C | 30.2 | Very low | 34.5 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 69% | 0.689 | 78% | 0.777 | S | S | * | * | trans | -108.6 | 179.1 | -162.1 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 291 | N | 32 | Very low | 34.5 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 77.7 | 114 | 171.4 | -53.2 | -38.6 | 0 | 0 | 0 | 117.4 | ||||
| 292 | L | 35.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -143.9 | 111.3 | 130.1 | -158.8 | 67.8 | 0 | 0 | 0 | 109.8 | ||||
| 293 | D | 34.7 | Very low | 34.8 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | -72.8 | 166.3 | 172.1 | -70.2 | -66.9 | 0 | 0 | 0 | 112.4 | ||||
| 294 | H | 34.7 | Very low | 35 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 65 | 122.5 | 168.5 | -73.2 | -84.1 | 0 | 0 | 0 | 117.9 | ||||
| 295 | I | 36.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | -158.3 | 130.5 | 104 | -88.5 | 142.9 | 0 | 0 | 0 | 109.6 | |||||
| 296 | S | 33.7 | Very low | 35 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -32.6 | 128.5 | 165.4 | -70.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 297 | S | 32.6 | Very low | 35 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | 55.2 | 104 | 81.4 | 79.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 298 | E | 38.5 | Very low | 35.1 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -175.7 | 116.1 | 141.7 | -106.3 | 165.7 | -150 | 0 | 0 | 112.6 | ||||
| 299 | S | 36 | Very low | 35.1 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -127.6 | 135.5 | 153.1 | -67.4 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 300 | P | 37.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -156.1 | 174.2 | 81.1 | 39.9 | -21 | 0 | 0 | 0 | 115.7 | |||||
| 301 | S | 37.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 168.3 | 116.4 | 126.7 | 45 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 302 | T | 35.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | 45.9 | 130.4 | 129.8 | 65.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 303 | S | 37.7 | Very low | 35.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 178.1 | 110.2 | 114.8 | -174.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 304 | L | 35.6 | Very low | 35.6 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | 30.4 | 139 | 141.1 | -69.6 | 168.1 | 0 | 0 | 0 | 125 | ||||
| 305 | H | 33.5 | Very low | 36 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | 76.8 | 99.5 | 142.7 | -109.4 | -82.3 | 0 | 0 | 0 | 121.1 | ||||
| 306 | N | 38.5 | Very low | 36.1 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | -169.5 | 151 | 95.6 | -97.2 | -30 | 0 | 0 | 0 | 113.9 | |||||
| 307 | Q | 31.4 | Very low | 36.2 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -85.5 | 111.8 | -175.7 | -62.2 | 177.1 | 16 | 0 | 0 | 112 | ||||
| 308 | V | 39.2 | Very low | 36.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -136.5 | 131.5 | 148.7 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | S310 | V308-S310 PolarHBondContact O-N 3.07Š| ||
| 309 | K | 31.1 | Very low | 36.7 | Very low | 212 Ų | 212 | 132.2 Ų | 132.2 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | trans | -73.3 | 77.6 | 174.6 | -73.8 | 179.4 | 176.2 | 177.1 | 0 | 110 | ||||
| 310 | S | 37 | Very low | 37 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -72.5 | 133.9 | 160.6 | 51.1 | 0 | 0 | 0 | 0 | 109 | V308 S312 | V308-S310 PolarHBondContact O-N 3.07Å; S310-S312 VanDerWaalsContact C-N 3.26Å; S310-S312 PolarHBondContact O-N 2.97Å | ||
| 311 | V | 34.2 | Very low | 36.9 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -75.9 | 86.1 | 169.1 | -160.6 | 0 | 0 | 0 | 0 | 106.8 | L313 | V311-L313 PolarHBondContact O-N 2.96Š| ||
| 312 | S | 30.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | trans | -64.5 | 108.9 | 173.8 | -67.5 | 0 | 0 | 0 | 0 | 108.7 | S310 D314 | S310-S312 VanDerWaalsContact C-N 3.26Å; S310-S312 PolarHBondContact O-N 2.97Å; S312-D314 VanDerWaalsContact C-N 3.29Å; S312-D314 PolarHBondContact O-N 3.06Å; S312-D314 VanDerWaalsContact O-N 3.15Å | ||
| 313 | L | 39.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -77.5 | 89.6 | 162.1 | -72.4 | 171.2 | 0 | 0 | 0 | 106.7 | V311 F315 | V311-L313 PolarHBondContact O-N 2.96Å; L313-F315 PolarHBondContact O-N 3.15Å | ||
| 314 | D | 37.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -66.9 | 81.4 | 173 | -62.4 | -28.9 | 0 | 0 | 0 | 109 | S312 | S312-D314 VanDerWaalsContact C-N 3.29Å; S312-D314 PolarHBondContact O-N 3.06Å; S312-D314 VanDerWaalsContact O-N 3.15Å | ||
| 315 | F | 42 | Very low | 38.1 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | -130.3 | 8.9 | -174.7 | -137 | -90.3 | 0 | 0 | 0 | 113.1 | L313 | L313-F315 PolarHBondContact O-N 3.15Š| ||
| 316 | S | 39 | Very low | 38.8 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -115.6 | -10.8 | -173.3 | 46.9 | 0 | 0 | 0 | 0 | 115 | L320 | S316-L320 WeakPolarHBondContact O-CD1 3.29Š|
| 317 | E | 36.7 | Very low | 39.3 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.5 | -15.9 | -170.3 | -149.7 | 166.8 | -172.1 | 0 | 0 | 114 | ||
| 318 | S | 37.1 | Very low | 40.2 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -5 | -176.2 | 48.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 319 | L | 44.3 | Very low | 41.1 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -9.1 | 175.9 | -69.9 | 178.8 | 0 | 0 | 0 | 114.5 | ||
| 320 | L | 41.9 | Very low | 42.4 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -19.7 | -179.9 | -63.6 | 179 | 0 | 0 | 0 | 113.7 | S316 T322 | S316-L320 WeakPolarHBondContact O-CD1 3.29Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.85Å |
| 321 | N | 35 | Very low | 43.7 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 4.4 | -176.9 | -79.5 | 3.9 | 0 | 0 | 0 | 115.1 | ||
| 322 | T | 34.8 | Very low | 45.4 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 116.9 | 169.6 | -49.3 | 0 | 0 | 0 | 0 | 109.2 | L320 | L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.85Å |
| 323 | S | 44.6 | Very low | 47.9 | Very low | 43 Ų | 43 | 115.3 Ų | 115.3 | 30% | 0.301 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86.3 | 2.6 | 164.3 | 82.2 | 0 | 0 | 0 | 0 | 121.5 | S325 Q326 L327 | S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.81Å; S323-Q326 CarbonylContact O-C 3.47Å; S323-Q326 PolarHBondContact O-N 3.28Å; S323-L327 WeakPolarHBondContact O-CB 3.02Å; S323-L327 WeakPolarHBondContact O-CG 3.23Å; S323-L327 PolarHBondContact O-N 3.47Å; S323-L327 WeakPolarHBondContact OG-CD1 3.37Å |
| 324 | E | 44.1 | Very low | 50.3 | Low | 141 Ų | 141 | 113.5 Ų | 113.5 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.5 | -46.1 | 173.7 | -156.2 | -179 | -176.1 | 0 | 0 | 111.3 | Q326 I328 | E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.95Å; E324-I328 HydrophobicContact CG-CD1 4.04Å; E324-I328 WeakPolarHBondContact O-CB 3.49Å; E324-I328 WeakPolarHBondContact O-CD1 3.42Å; E324-I328 WeakPolarHBondContact O-CG1 3.36Å; E324-I328 PolarHBondContact O-N 2.83Å |
| 325 | S | 47.5 | Very low | 52.8 | Low | 107 Ų | 107 | 109.8 Ų | 109.8 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.6 | -15.1 | 172.6 | -53.2 | 0 | 0 | 0 | 0 | 115.3 | S323 | S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.81Å |
| 326 | Q | 50.1 | Low | 55 | Low | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -97.2 | -35.5 | 179.4 | -68.8 | 175.3 | -19.7 | 0 | 0 | 112 | S323 E324 A329 | S323-Q326 CarbonylContact O-C 3.47Å; S323-Q326 PolarHBondContact O-N 3.28Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.95Å; Q326-A329 PolarHBondContact O-N 3.46Å |
| 327 | L | 47.1 | Very low | 57.4 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -40.4 | 172 | -67.5 | 169.9 | 0 | 0 | 0 | 110.9 | S323 A329 Q330 C331 | S323-L327 WeakPolarHBondContact O-CB 3.02Å; S323-L327 WeakPolarHBondContact O-CG 3.23Å; S323-L327 PolarHBondContact O-N 3.47Å; S323-L327 WeakPolarHBondContact OG-CD1 3.37Å; L327-A329 PolarHBondContact O-N 2.95Å; L327-Q330 PolarHBondContact O-N 3.43Å; L327-C331 PolarHBondContact O-N 2.87Å |
| 328 | I | 51.9 | Low | 59.8 | Low | 112 Ų | 112 | 102 Ų | 102 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -32.5 | 173 | -67.9 | 167.7 | 0 | 0 | 0 | 111.4 | E324 Q330 C331 | E324-I328 HydrophobicContact CG-CD1 4.04Å; E324-I328 WeakPolarHBondContact O-CB 3.49Å; E324-I328 WeakPolarHBondContact O-CD1 3.42Å; E324-I328 WeakPolarHBondContact O-CG1 3.36Å; E324-I328 PolarHBondContact O-N 2.83Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.4Å; I328-C331 PolarHBondContact O-N 3.47Å |
| 329 | A | 56.7 | Low | 62.4 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71 | -21 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q326 L327 | Q326-A329 PolarHBondContact O-N 3.46Å; L327-A329 PolarHBondContact O-N 2.95Å |
| 330 | Q | 59.5 | Low | 64.7 | Low | 164 Ų | 164 | 96 Ų | 96 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -92.5 | -17.8 | 176.7 | -69.4 | -172.8 | -13.9 | 0 | 0 | 113.7 | L327 I328 P332 | L327-Q330 PolarHBondContact O-N 3.43Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.4Å; Q330-P332 VanDerWaalsContact O-CD 3.3Å; Q330-P332 WeakPolarHBondContact O-CD 3.3Å |
| 331 | C | 63 | Low | 67 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -66.7 | 119 | 177.8 | -78.5 | 0 | 0 | 0 | 0 | 111.6 | L327 I328 | L327-C331 PolarHBondContact O-N 2.87Å; I328-C331 PolarHBondContact O-N 3.47Å |
| 332 | P | 71.2 | Confident | 69.7 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 136.8 | 177.9 | -25.3 | 35.1 | 0 | 0 | 0 | 111.1 | Q330 M334 | Q330-P332 VanDerWaalsContact O-CD 3.3Å; Q330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-M334 WeakPolarHBondContact O-CG 3.28Å; P332-M334 PolarHBondContact O-N 3.46Å; P332-M334 VanDerWaalsContact O-N 3.14Å |
| 333 | P | 83.5 | Confident | 72.3 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 124.2 | -172.8 | 21.7 | -33.2 | 0 | 0 | 0 | 110.9 | R346 | P333-R346 HydrophobicContact CB-CB 4.36Å; P333-R346 HydrophobicContact CG-CB 4.49Å; P333-R346 WeakPolarHBondContact O-CB 3.45Å; P333-R346 PolarHBondContact O-N 3.13Å |
| 334 | M | 89.5 | Confident | 74.4 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 160.1 | -178 | -54.8 | -165.9 | 95.5 | 0 | 0 | 111.9 | P332 L343 I344 | P332-M334 WeakPolarHBondContact O-CG 3.28Å; P332-M334 PolarHBondContact O-N 3.46Å; P332-M334 VanDerWaalsContact O-N 3.14Å; M334-L343 HydrophobicContact CB-CD2 4.08Å; M334-L343 HydrophobicContact CE-CB 3.68Å; M334-L343 HydrophobicContact SD-CB 3.9Å; M334-L343 HydrophobicContact SD-CD1 4.09Å; M334-L343 HydrophobicContact SD-CG 4.4Å; M334-I344 CarbonylContact C-O 3.55Å; M334-I344 WeakPolarHBondContact CA-O 3.34Å |
| 335 | K | 88.5 | Confident | 76.4 | Confident | 59 Ų | 59 | 91.8 Ų | 91.8 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.8 | 166.2 | 69 | -177.9 | 173.9 | -159.6 | 0 | 108.6 | I344 H345 R346 A348 | K335-I344 HydrophobicContact CD-CD1 4.45Å; K335-I344 HydrophobicContact CD-CG1 4.38Å; K335-I344 HydrophobicContact CG-CD1 4.21Å; K335-I344 HydrophobicContact CG-CG1 3.66Å; K335-I344 PolarHBondContact N-O 2.87Å; K335-I344 WeakPolarHBondContact O-CG1 3.35Å; K335-I344 PolarHBondContact O-N 2.97Å; K335-H345 VanDerWaalsContact CE-O 3.31Å; K335-H345 WeakPolarHBondContact CE-O 3.36Å; K335-R346 WeakPolarHBondContact CD-O 3.32Å; K335-R346 WeakPolarHBondContact CE-O 3.43Å; K335-R346 PolarHBondContact NZ-O 3.06Å; K335-A348 PolarHBondContact NZ-O 3.23Å |
| 336 | T | 90.1 | Very high | 78.3 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142.2 | 170.3 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | Q341 Q342 L343 | T336-Q341 WeakPolarHBondContact CB-O 3.34Å; T336-Q341 WeakPolarHBondContact CG2-O 3.47Å; T336-Q342 CarbonylContact C-O 3.59Å; T336-L343 HydrophobicContact CG2-CD2 3.95Å |
| 337 | C | 89.4 | Confident | 79.9 | Confident | 3 Ų | 3 | 93.4 Ų | 93.4 | 2% | 0.02 | 50% | 0.499 | C | S | . | . | trans | -71.4 | 127.6 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | A339 Q341 Q342 I344 C351 | C337-A339 PolarHBondContact O-N 3.34Å; C337-A339 VanDerWaalsContact O-N 3.15Å; C337-A339 PolarHBondContact SG-N 3.01Å; C337-A339 VanDerWaalsContact SG-N 3.44Å; C337-Q341 WeakPolarHBondContact O-CA 3.49Å; C337-Q341 PolarHBondContact O-N 2.98Å; C337-Q342 PolarHBondContact N-O 3.42Å; C337-I344 HydrophobicContact CB-CD1 4.1Å; C337-I344 HydrophobicContact CB-CG2 4.45Å; C337-C351 HydrophobicContact CB-CB 4.23Å; C337-C351 VanDerWaalsContact SG-CB 3.52Å | ||
| 338 | Q | 86.2 | Confident | 81.7 | Confident | 146 Ų | 146 | 89.3 Ų | 89.3 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.3 | 179.1 | -69.5 | -159.5 | -46.1 | 0 | 0 | 115.2 | ||
| 339 | A | 90.9 | Very high | 83.3 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -49.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | C337 T356 | C337-A339 PolarHBondContact O-N 3.34Å; C337-A339 VanDerWaalsContact O-N 3.15Å; C337-A339 PolarHBondContact SG-N 3.01Å; C337-A339 VanDerWaalsContact SG-N 3.44Å; A339-T356 HydrophobicContact CB-CG2 3.95Å |
| 340 | C | 93 | Very high | 84.8 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 30% | 0.297 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 5.2 | -177.1 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | Q342 C351 C354 | C340-Q342 PolarHBondContact O-N 3.26Å; C340-C351 VanDerWaalsContact SG-SG 3.67Å; C340-C354 HydrophobicContact CB-CB 4.11Å; C340-C354 VanDerWaalsContact SG-SG 3.62Å |
| 341 | Q | 91.3 | Very high | 86.3 | Confident | 163 Ų | 163 | 80.6 Ų | 80.6 | 76% | 0.762 | 43% | 0.434 | S | S | * | . | trans | 62.7 | -7.9 | 178.6 | -53.4 | -175.9 | 29.6 | 0 | 0 | 116.5 | T336 C337 | T336-Q341 WeakPolarHBondContact CB-O 3.34Å; T336-Q341 WeakPolarHBondContact CG2-O 3.47Å; C337-Q341 WeakPolarHBondContact O-CA 3.49Å; C337-Q341 PolarHBondContact O-N 2.98Å | ||
| 342 | Q | 90.1 | Very high | 87.6 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | trans | -64 | 148.7 | 178.9 | -67.5 | -65.9 | -14.6 | 0 | 0 | 113.7 | T336 C337 C340 L353 | T336-Q342 CarbonylContact C-O 3.59Å; C337-Q342 PolarHBondContact N-O 3.42Å; C340-Q342 PolarHBondContact O-N 3.26Å; Q342-L353 HydrophobicContact CB-CD1 3.54Å; Q342-L353 HydrophobicContact CG-CD1 3.61Å | ||
| 343 | L | 91.2 | Very high | 88.5 | Confident | 103 Ų | 103 | 81.7 Ų | 81.7 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.3 | 176.9 | -70.4 | 169.3 | 0 | 0 | 0 | 111.2 | M334 T336 | M334-L343 HydrophobicContact CB-CD2 4.08Å; M334-L343 HydrophobicContact CE-CB 3.68Å; M334-L343 HydrophobicContact SD-CB 3.9Å; M334-L343 HydrophobicContact SD-CD1 4.09Å; M334-L343 HydrophobicContact SD-CG 4.4Å; T336-L343 HydrophobicContact CG2-CD2 3.95Å |
| 344 | I | 88.5 | Confident | 88.9 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.4 | 178.9 | 62.9 | 173.3 | 0 | 0 | 0 | 109.3 | M334 K335 C337 R346 C351 P352 S358 | M334-I344 CarbonylContact C-O 3.55Å; M334-I344 WeakPolarHBondContact CA-O 3.34Å; K335-I344 HydrophobicContact CD-CD1 4.45Å; K335-I344 HydrophobicContact CD-CG1 4.38Å; K335-I344 HydrophobicContact CG-CD1 4.21Å; K335-I344 HydrophobicContact CG-CG1 3.66Å; K335-I344 PolarHBondContact N-O 2.87Å; K335-I344 WeakPolarHBondContact O-CG1 3.35Å; K335-I344 PolarHBondContact O-N 2.97Å; C337-I344 HydrophobicContact CB-CD1 4.1Å; C337-I344 HydrophobicContact CB-CG2 4.45Å; I344-R346 PolarHBondContact O-N 2.85Å; I344-C351 HydrophobicContact CD1-CB 4.31Å; I344-C351 HydrophobicContact CG2-CB 4.49Å; I344-P352 HydrophobicContact CG2-CG 4.35Å; I344-S358 WeakPolarHBondContact CD1-OG 3.14Å |
| 345 | H | 86 | Confident | 88.9 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 40% | 0.403 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 138.4 | 178 | -177.4 | -125.7 | 0 | 0 | 0 | 112 | K335 N347 A348 | K335-H345 VanDerWaalsContact CE-O 3.31Å; K335-H345 WeakPolarHBondContact CE-O 3.36Å; H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.08Å; H345-A348 HydrophobicContact CB-CB 4.28Å; H345-A348 VanDerWaalsContact O-CB 3.29Å; H345-A348 WeakPolarHBondContact O-CB 3.44Å; H345-A348 PolarHBondContact O-N 3.13Å |
| 346 | R | 85.8 | Confident | 89 | Confident | 160 Ų | 160 | 82.7 Ų | 82.7 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.1 | -174.9 | -175 | 174.7 | -173.3 | -168.8 | 4.4 | 112.9 | P333 K335 I344 | P333-R346 HydrophobicContact CB-CB 4.36Å; P333-R346 HydrophobicContact CG-CB 4.49Å; P333-R346 WeakPolarHBondContact O-CB 3.45Å; P333-R346 PolarHBondContact O-N 3.13Å; K335-R346 WeakPolarHBondContact CD-O 3.32Å; K335-R346 WeakPolarHBondContact CE-O 3.43Å; K335-R346 PolarHBondContact NZ-O 3.06Å; I344-R346 PolarHBondContact O-N 2.85Å |
| 347 | N | 85 | Confident | 88.7 | Confident | 113 Ų | 113 | 86.2 Ų | 86.2 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.6 | 179.5 | -63.5 | -15.8 | 0 | 0 | 0 | 114.7 | H345 P349 | H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.08Å; N347-P349 WeakPolarHBondContact O-CD 3.49Å |
| 348 | A | 84.4 | Confident | 87.9 | Confident | 19 Ų | 19 | 87.6 Ų | 87.6 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | trans | -62.4 | 122.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K335 H345 I350 | K335-A348 PolarHBondContact NZ-O 3.23Å; H345-A348 HydrophobicContact CB-CB 4.28Å; H345-A348 VanDerWaalsContact O-CB 3.29Å; H345-A348 WeakPolarHBondContact O-CB 3.44Å; H345-A348 PolarHBondContact O-N 3.13Å; A348-I350 VanDerWaalsContact C-N 3.32Å | ||
| 349 | P | 85.6 | Confident | 87.1 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -74.8 | -25.2 | -179.7 | 29.5 | -34.5 | 0 | 0 | 0 | 112.3 | N347 K357 S358 | N347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-K357 WeakPolarHBondContact O-CA 3.44Å; P349-S358 PolarHBondContact O-N 3.21Å |
| 350 | I | 88.4 | Confident | 86 | Confident | 78 Ų | 78 | 91.8 Ų | 91.8 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -132.2 | 140.3 | -176.6 | -62.1 | 173.7 | 0 | 0 | 0 | 107.8 | A348 K355 K357 | A348-I350 VanDerWaalsContact C-N 3.32Å; I350-K355 HydrophobicContact CG2-CB 4.5Å; I350-K355 WeakPolarHBondContact CG2-O 3.37Å; I350-K357 HydrophobicContact CG1-CG 4.2Å |
| 351 | C | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 100.4 Ų | 100.4 | 0% | 0 | 49% | 0.49 | C | S | . | . | trans | -70 | 125.8 | 170.7 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | C337 C340 I344 L353 C354 K355 T356 | C337-C351 HydrophobicContact CB-CB 4.23Å; C337-C351 VanDerWaalsContact SG-CB 3.52Å; C340-C351 VanDerWaalsContact SG-SG 3.67Å; I344-C351 HydrophobicContact CD1-CB 4.31Å; I344-C351 HydrophobicContact CG2-CB 4.49Å; C351-L353 PolarHBondContact O-N 3.26Å; C351-L353 PolarHBondContact SG-N 3.21Å; C351-C354 VanDerWaalsContact CB-SG 3.56Å; C351-K355 WeakPolarHBondContact O-CA 3.33Å; C351-K355 PolarHBondContact O-N 3.47Å; C351-T356 PolarHBondContact N-O 2.95Å | ||
| 352 | P | 89.5 | Confident | 83.6 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.8 | 179.7 | 24.8 | -33.4 | 0 | 0 | 0 | 112.7 | I344 K355 | I344-P352 HydrophobicContact CG2-CG 4.35Å; P352-K355 WeakPolarHBondContact O-CE 3.3Å; P352-K355 PolarHBondContact O-NZ 2.91Å |
| 353 | L | 89.7 | Confident | 82.3 | Confident | 116 Ų | 116 | 99 Ų | 99 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -59.4 | -176.6 | -56.9 | 173.9 | 0 | 0 | 0 | 112.3 | Q342 C351 | Q342-L353 HydrophobicContact CB-CD1 3.54Å; Q342-L353 HydrophobicContact CG-CD1 3.61Å; C351-L353 PolarHBondContact O-N 3.26Å; C351-L353 PolarHBondContact SG-N 3.21Å |
| 354 | C | 92 | Very high | 81.4 | Confident | 46 Ų | 46 | 104 Ų | 104 | 31% | 0.311 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 4.9 | -174.8 | 70 | 0 | 0 | 0 | 0 | 114.9 | C340 C351 T356 | C340-C354 HydrophobicContact CB-CB 4.11Å; C340-C354 VanDerWaalsContact SG-SG 3.62Å; C351-C354 VanDerWaalsContact CB-SG 3.56Å; C354-T356 PolarHBondContact O-N 3.14Å; C354-T356 PolarHBondContact O-OG1 3.29Å |
| 355 | K | 90.9 | Very high | 80.5 | Confident | 152 Ų | 152 | 113 Ų | 113 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | trans | 53.6 | 9.5 | -177.9 | -47.5 | -53.8 | -175.1 | -168 | 0 | 116 | I350 C351 P352 | I350-K355 HydrophobicContact CG2-CB 4.5Å; I350-K355 WeakPolarHBondContact CG2-O 3.37Å; C351-K355 WeakPolarHBondContact O-CA 3.33Å; C351-K355 PolarHBondContact O-N 3.47Å; P352-K355 WeakPolarHBondContact O-CE 3.3Å; P352-K355 PolarHBondContact O-NZ 2.91Å | ||
| 356 | T | 89.1 | Confident | 79.8 | Confident | 66 Ų | 66 | 115 Ų | 115 | 41% | 0.405 | 57% | 0.574 | S | S | . | * | trans | -75.3 | 135.2 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | A339 C351 C354 S358 | A339-T356 HydrophobicContact CB-CG2 3.95Å; C351-T356 PolarHBondContact N-O 2.95Å; C354-T356 PolarHBondContact O-N 3.14Å; C354-T356 PolarHBondContact O-OG1 3.29Å; T356-S358 PolarHBondContact O-N 3.07Å | ||
| 357 | K | 84.9 | Confident | 78.9 | Confident | 162 Ų | 162 | 117.3 Ų | 117.3 | 70% | 0.704 | 59% | 0.588 | S | S | * | * | B | Isolated β-bridge | trans | -63.1 | 126.8 | 174.8 | -72.7 | -177.2 | 178.4 | -179.5 | 0 | 110.6 | P349 I350 R359 | P349-K357 WeakPolarHBondContact O-CA 3.44Å; I350-K357 HydrophobicContact CG1-CG 4.2Å; K357-R359 PolarHBondContact O-N 3.46Å |
| 358 | S | 72.6 | Confident | 77.9 | Confident | 32 Ų | 32 | 117.5 Ų | 117.5 | 22% | 0.224 | 60% | 0.599 | C | S | . | * | trans | -72.4 | 110.7 | 173.1 | -72.4 | 0 | 0 | 0 | 0 | 109.8 | I344 P349 T356 S360 | I344-S358 WeakPolarHBondContact CD1-OG 3.14Å; P349-S358 PolarHBondContact O-N 3.21Å; T356-S358 PolarHBondContact O-N 3.07Å; S358-S360 PolarHBondContact O-N 3.07Å | ||
| 359 | R | 68.5 | Low | 76.8 | Confident | 214 Ų | 214 | 127.3 Ų | 127.3 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -71.2 | 125.1 | 173.3 | -68 | -175.7 | 179.3 | -120 | 1.6 | 109.7 | K357 | K357-R359 PolarHBondContact O-N 3.46Š| ||
| 360 | S | 68.1 | Low | 75.3 | Confident | 80 Ų | 80 | 127.6 Ų | 127.6 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | trans | -59.3 | 136.1 | 165.7 | 173 | 0 | 0 | 0 | 0 | 109.4 | S358 N362 | S358-S360 PolarHBondContact O-N 3.07Å; S360-N362 PolarHBondContact O-N 3.39Å; S360-N362 PolarHBondContact OG-N 3.33Å; S360-N362 PolarHBondContact OG-O 3.27Å | ||
| 361 | R | 65.3 | Low | 73.6 | Confident | 225 Ų | 225 | 130.3 Ų | 130.3 | 85% | 0.849 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -64.2 | -20.9 | 169.8 | -72.1 | -170.6 | 176.2 | -144.1 | 2.4 | 112.6 | P363 | R361-P363 VanDerWaalsContact C-CD 3.5Å; R361-P363 VanDerWaalsContact O-CD 3.27Å; R361-P363 WeakPolarHBondContact O-CD 3.48Å |
| 362 | N | 69.2 | Low | 71.8 | Confident | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -114.9 | 81.6 | 177.1 | -69.7 | -21 | 0 | 0 | 0 | 110.3 | S360 K364 | S360-N362 PolarHBondContact O-N 3.39Å; S360-N362 PolarHBondContact OG-N 3.33Å; S360-N362 PolarHBondContact OG-O 3.27Å; N362-K364 PolarHBondContact O-N 2.91Å |
| 363 | P | 63 | Low | 69.9 | Low | 104 Ų | 104 | 142.1 Ų | 142.1 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.9 | 169.9 | 28.1 | -32.5 | 0 | 0 | 0 | 110 | R361 K365 | R361-P363 VanDerWaalsContact C-CD 3.5Å; R361-P363 VanDerWaalsContact O-CD 3.27Å; R361-P363 WeakPolarHBondContact O-CD 3.48Å; P363-K365 PolarHBondContact O-N 3.2Å |
| 364 | K | 72.4 | Confident | 67.6 | Low | 208 Ų | 208 | 143.4 Ų | 143.4 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63 | 118.7 | 171 | -68.3 | -178 | 179.4 | 178.9 | 0 | 108.4 | N362 | N362-K364 PolarHBondContact O-N 2.91Š|
| 365 | K | 69.9 | Low | 65.9 | Low | 195 Ų | 195 | 146.7 Ų | 146.7 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 132.1 | 176.8 | -64.7 | -178.1 | -179.3 | -179.7 | 0 | 109.5 | P363 K367 | P363-K365 PolarHBondContact O-N 3.2Å; K365-K367 PolarHBondContact O-N 3.18Å |
| 366 | P | 70.7 | Confident | 63.7 | Low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 132.1 | 173.3 | 26.7 | -33 | 0 | 0 | 0 | 109.8 | S368 | P366-S368 PolarHBondContact O-N 3.02Š|
| 367 | K | 67 | Low | 61.8 | Low | 209 Ų | 209 | 151.4 Ų | 151.4 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -78.2 | 111.5 | 173.4 | -83.6 | 179.2 | 172.6 | 178.7 | 0 | 109.1 | K365 R369 | K365-K367 PolarHBondContact O-N 3.18Å; K367-R369 PolarHBondContact O-N 3.35Å | ||
| 368 | S | 64.5 | Low | 60.2 | Low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 126.7 | 165 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | P366 | P366-S368 PolarHBondContact O-N 3.02Š|
| 369 | R | 59.8 | Low | 58.8 | Low | 225 Ų | 225 | 153.7 Ų | 153.7 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 124.8 | 171.2 | -175.5 | -176.3 | -77.6 | -143.5 | 1.2 | 107.6 | K367 | K367-R369 PolarHBondContact O-N 3.35Š|
| 370 | P | 54.4 | Low | 57.7 | Low | 104 Ų | 104 | 149 Ų | 149 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 139.4 | 178.9 | 28.9 | -33.8 | 0 | 0 | 0 | 110.8 | ||
| 371 | V | 52.5 | Low | 56.6 | Low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 120.1 | 168.8 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 372 | I | 54.6 | Low | 56 | Low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -121.8 | 134.9 | 164.7 | -64.2 | -178.9 | 0 | 0 | 0 | 107 | ||||
| 373 | Q | 47.8 | Very low | 54.6 | Low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 149.1 | -169.5 | -66.4 | 157.6 | -34.4 | 0 | 0 | 111.2 | ||||
| 374 | V | 42.5 | Very low | 53.9 | Low | 143 Ų | 143 | 144.5 Ų | 144.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -104.4 | 127 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 375 | T | 55.4 | Low | 52.3 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -125 | 117.2 | 170.4 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 376 | D | 46.5 | Very low | 51.3 | Low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 69 | 103.7 | 144 | -49.2 | -33.2 | 0 | 0 | 0 | 121 | ||||
| 377 | M | 48.8 | Very low | 49.9 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -69.6 | 168.1 | 149 | -111.7 | -72.6 | 87.6 | 0 | 0 | 109.9 | ||||
| 378 | P | 51.6 | Low | 49.1 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | -161.8 | 178.7 | 64.5 | 44.6 | -21.9 | 0 | 0 | 0 | 120.5 | |||||
| 379 | N | 42.1 | Very low | 47.9 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 77.5 | 114.3 | 148.8 | -62.4 | -25 | 0 | 0 | 0 | 122.4 | ||||
| 380 | S | 45.3 | Very low | 47.2 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | -167.6 | 142.9 | 102.2 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 381 | S | 44.6 | Very low | 47.1 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 30.8 | 130.5 | 151.8 | -149 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 382 | T | 52.4 | Low | 47.1 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | -174.9 | 149.8 | 50.2 | -45.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 383 | G | 41.6 | Very low | 46.8 | Very low | 61 Ų | 61 | 139.5 Ų | 139.5 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | 111.9 | 103.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 384 | V | 47.7 | Very low | 47.1 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | 73.1 | 128.8 | 145 | -164 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 385 | S | 38.8 | Very low | 47.6 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -108.8 | 141.8 | 179.6 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 386 | L | 47.7 | Very low | 47.3 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -146.1 | 110.1 | 158.6 | -119.2 | 169 | 0 | 0 | 0 | 109 | ||||
| 387 | A | 42.9 | Very low | 47.3 | Very low | 80 Ų | 80 | 147 Ų | 147 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | -108.3 | 118.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 388 | L | 49.4 | Very low | 47.3 | Very low | 173 Ų | 173 | 146 Ų | 146 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -117.5 | 145.5 | 146.3 | -98.6 | 91 | 0 | 0 | 0 | 108.5 | ||||
| 389 | R | 40.5 | Very low | 47 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 82% | 0.823 | 82% | 0.82 | S | S | * | * | trans | -144.6 | 154.8 | -156.8 | -157.4 | -170.3 | -156.8 | -173.8 | 7.3 | 108.3 | ||||
| 390 | L | 44 | Very low | 47.3 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | trans | 74.6 | 146.5 | 174.7 | -41.4 | 174.5 | 0 | 0 | 0 | 112.1 | ||||
| 391 | I | 52.6 | Low | 47.4 | Very low | 167 Ų | 167 | 151 Ų | 151 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | cis | -126.5 | 148.3 | 23.6 | -64.9 | 164.5 | 0 | 0 | 0 | 110.8 | ||||
| 392 | H | 51.8 | Low | 47.6 | Very low | 168 Ų | 168 | 154 Ų | 154 | 78% | 0.778 | 83% | 0.828 | S | S | * | * | trans | -106.3 | 147.5 | -179.1 | -170.3 | -74 | 0 | 0 | 0 | 109.7 | ||||
| 393 | D | 49.6 | Very low | 47.3 | Very low | 143 Ų | 143 | 155.5 Ų | 155.5 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -61 | 139.8 | 171.7 | -69.5 | -68.1 | 0 | 0 | 0 | 112.3 | ||||
| 394 | H | 54.4 | Low | 47.7 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 80% | 0.796 | 84% | 0.844 | S | S | * | * | -165.3 | 127 | 124 | -119.1 | -78.9 | 0 | 0 | 0 | 111.2 | |||||
| 395 | N | 52 | Low | 47.7 | Very low | 154 Ų | 154 | 163.5 Ų | 163.5 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | trans | -88.2 | 156.8 | 154.6 | -95.8 | -27.5 | 0 | 0 | 0 | 108.8 | ||||
| 396 | E | 48.8 | Very low | 48.5 | Very low | 268 Ų | 268 | 168.8 Ų | 168.8 | 100% | 1.252 | 85% | 0.846 | S | S | * | * | trans | 66.3 | 0 | -178.8 | -59.7 | -165.9 | 132.9 | 0 | 0 | 117 |
Retrieved 396 of 396 residues in 68.6 ms
(Link to these results)