| 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 | 45.6 | Very low | 46.2 | Very low | 230 Ų | 230 | 115.1 Ų | 115.1 | 100% | 1.133 | 65% | 0.646 | S | S | * | * | 0 | -3.1 | 0 | -58.1 | -152.2 | -157.4 | 0 | 0 | 114.5 | |||||
| 2 | G | 48.8 | Very low | 47.1 | Very low | 53 Ų | 53 | 110.5 Ų | 110.5 | 55% | 0.546 | 63% | 0.634 | S | S | . | * | trans | -80.1 | -19.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | A4 Q5 | G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 3.33Å; G2-Q5 PolarHBondContact O-N 3.45Å | ||
| 3 | V | 45.1 | Very low | 48.4 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -27.9 | -174.7 | -160.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 4 | A | 41.8 | Very low | 49.2 | Very low | 70 Ų | 70 | 104.4 Ų | 104.4 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.1 | -32.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2 V8 | G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 3.33Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.11Å |
| 5 | Q | 41 | Very low | 50.2 | Low | 162 Ų | 162 | 106.7 Ų | 106.7 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74 | -29.4 | -177 | -128.6 | 170.6 | -61.9 | 0 | 0 | 112.6 | G2 | G2-Q5 PolarHBondContact O-N 3.45Å |
| 6 | Q | 43.2 | Very low | 51.2 | Low | 156 Ų | 156 | 103.1 Ų | 103.1 | 73% | 0.729 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.5 | -32.5 | -179 | -156.8 | 153.2 | -17.8 | 0 | 0 | 112.8 | S9 S10 | Q6-S9 PolarHBondContact O-N 3.26Å; Q6-S10 PolarHBondContact O-N 3.44Å |
| 7 | Q | 38.7 | Very low | 52 | Low | 116 Ų | 116 | 99.4 Ų | 99.4 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.4 | -34.4 | 173.4 | -108.6 | -111 | -34.4 | 0 | 0 | 113 | K11 | Q7-K11 WeakPolarHBondContact O-CG 3.44Å; Q7-K11 PolarHBondContact O-N 3.43Å |
| 8 | V | 44.9 | Very low | 52.9 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.7 | -34.8 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111 | A4 A12 | A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.11Å; V8-A12 WeakPolarHBondContact O-CB 3.23Å; V8-A12 PolarHBondContact O-N 3.45Å; V8-A12 VanDerWaalsContact O-N 3.1Å |
| 9 | S | 53.6 | Low | 53.8 | Low | 66 Ų | 66 | 97 Ų | 97 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -45.1 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | Q6 K11 A12 I13 | Q6-S9 PolarHBondContact O-N 3.26Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.49Å; S9-A12 PolarHBondContact O-N 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.32Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.39Å |
| 10 | S | 53.6 | Low | 54.6 | Low | 66 Ų | 66 | 98.5 Ų | 98.5 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 177.2 | -109.3 | 0 | 0 | 0 | 0 | 112.8 | Q6 I13 A14 | Q6-S10 PolarHBondContact O-N 3.44Å; S10-I13 PolarHBondContact O-N 3.4Å; S10-A14 PolarHBondContact O-N 3.47Å |
| 11 | K | 51.6 | Low | 55.2 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 176.7 | -72.5 | 174.8 | 176.3 | 169.2 | 0 | 111.9 | Q7 S9 A14 F15 | Q7-K11 WeakPolarHBondContact O-CG 3.44Å; Q7-K11 PolarHBondContact O-N 3.43Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.49Å; K11-A14 PolarHBondContact O-N 3.49Å; K11-F15 WeakPolarHBondContact O-CD2 3.33Å; K11-F15 PolarHBondContact O-N 3.48Å |
| 12 | A | 57.8 | Low | 56.4 | Low | 60 Ų | 60 | 85.7 Ų | 85.7 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V8 S9 F15 A16 | V8-A12 WeakPolarHBondContact O-CB 3.23Å; V8-A12 PolarHBondContact O-N 3.45Å; V8-A12 VanDerWaalsContact O-N 3.1Å; S9-A12 PolarHBondContact O-N 3.48Å; A12-F15 PolarHBondContact O-N 3.5Å; A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.41Å |
| 13 | I | 63.8 | Low | 57.5 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.7 | -65.5 | 165.2 | 0 | 0 | 0 | 111 | S9 S10 A16 A17 | S9-I13 VanDerWaalsContact O-CG1 3.32Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.39Å; S10-I13 PolarHBondContact O-N 3.4Å; I13-A16 PolarHBondContact O-N 3.45Å; I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 3.33Å |
| 14 | A | 59.4 | Low | 58.6 | Low | 40 Ų | 40 | 83.8 Ų | 83.8 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S10 K11 A17 I18 | S10-A14 PolarHBondContact O-N 3.47Å; K11-A14 PolarHBondContact O-N 3.49Å; A14-A17 PolarHBondContact O-N 3.5Å; A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.15Å; A14-I18 PolarHBondContact O-N 3.41Å |
| 15 | F | 63.6 | Low | 60.1 | Low | 138 Ų | 138 | 84.1 Ų | 84.1 | 61% | 0.605 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 175.2 | -99.2 | -85.3 | 0 | 0 | 0 | 112.5 | K11 A12 A17 I18 V19 | K11-F15 WeakPolarHBondContact O-CD2 3.33Å; K11-F15 PolarHBondContact O-N 3.48Å; A12-F15 PolarHBondContact O-N 3.5Å; F15-A17 VanDerWaalsContact C-N 3.3Å; F15-A17 PolarHBondContact O-N 3.43Å; F15-I18 PolarHBondContact O-N 3.41Å; F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.46Å |
| 16 | A | 65.9 | Low | 61.6 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A12 I13 V19 L20 | A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.41Å; I13-A16 PolarHBondContact O-N 3.45Å; A16-V19 PolarHBondContact O-N 3.39Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.45Å |
| 17 | A | 65.2 | Low | 63.1 | Low | 40 Ų | 40 | 73.8 Ų | 73.8 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I13 A14 F15 S21 | I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 3.33Å; A14-A17 PolarHBondContact O-N 3.5Å; F15-A17 VanDerWaalsContact C-N 3.3Å; F15-A17 PolarHBondContact O-N 3.43Å; A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.26Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.34Å |
| 18 | I | 69.1 | Low | 64.4 | Low | 69 Ų | 69 | 70.1 Ų | 70.1 | 35% | 0.354 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.8 | -67.5 | 163.2 | 0 | 0 | 0 | 110.9 | A14 F15 S21 T22 M64 | A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.15Å; A14-I18 PolarHBondContact O-N 3.41Å; F15-I18 PolarHBondContact O-N 3.41Å; I18-S21 VanDerWaalsContact CA-OG 3.31Å; I18-S21 WeakPolarHBondContact CA-OG 3.08Å; I18-S21 PolarHBondContact O-N 2.86Å; I18-S21 PolarHBondContact O-OG 2.68Å; I18-T22 WeakPolarHBondContact O-CB 3.19Å; I18-T22 WeakPolarHBondContact O-CG2 3.43Å; I18-T22 PolarHBondContact O-N 3.38Å; I18-T22 PolarHBondContact O-OG1 2.94Å; I18-M64 HydrophobicContact CD1-CE 3.97Å; I18-M64 HydrophobicContact CG1-CE 3.3Å |
| 19 | V | 69.5 | Low | 65.4 | Low | 84 Ų | 84 | 69.9 Ų | 69.9 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F15 A16 S21 T22 V23 | F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.46Å; A16-V19 PolarHBondContact O-N 3.39Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.25Å; V19-T22 WeakPolarHBondContact CA-OG1 3.47Å; V19-T22 PolarHBondContact O-OG1 2.82Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.25Å |
| 20 | L | 69.2 | Low | 66 | Low | 126 Ų | 126 | 72.2 Ų | 72.2 | 66% | 0.66 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 177.7 | -71.2 | 168.4 | 0 | 0 | 0 | 112.7 | A16 A24 | A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.45Å; L20-A24 WeakPolarHBondContact O-CB 2.92Å; L20-A24 PolarHBondContact O-N 3.25Å |
| 21 | S | 67.2 | Low | 66.5 | Low | 15 Ų | 15 | 72.8 Ų | 72.8 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | A17 I18 V19 A24 I25 | A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.26Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.34Å; I18-S21 VanDerWaalsContact CA-OG 3.31Å; I18-S21 WeakPolarHBondContact CA-OG 3.08Å; I18-S21 PolarHBondContact O-N 2.86Å; I18-S21 PolarHBondContact O-OG 2.68Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.25Å; S21-A24 PolarHBondContact O-N 3.22Å; S21-I25 WeakPolarHBondContact O-CB 3.29Å; S21-I25 WeakPolarHBondContact O-CD1 3.24Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.34Å; S21-I25 PolarHBondContact O-N 3.18Å |
| 22 | T | 71.1 | Confident | 66.9 | Low | 45 Ų | 45 | 70.2 Ų | 70.2 | 28% | 0.276 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 172.4 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | I18 V19 T26 F83 | I18-T22 WeakPolarHBondContact O-CB 3.19Å; I18-T22 WeakPolarHBondContact O-CG2 3.43Å; I18-T22 PolarHBondContact O-N 3.38Å; I18-T22 PolarHBondContact O-OG1 2.94Å; V19-T22 WeakPolarHBondContact CA-OG1 3.47Å; V19-T22 PolarHBondContact O-OG1 2.82Å; T22-T26 VanDerWaalsContact O-CB 3.26Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 2.89Å; T22-T26 PolarHBondContact O-OG1 2.9Å; T22-F83 HydrophobicContact CG2-CZ 4.27Å |
| 23 | V | 71.9 | Confident | 66.7 | Low | 97 Ų | 97 | 71.2 Ų | 71.2 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64 | -42 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | V19 G27 | V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.25Å; V23-G27 PolarHBondContact O-N 3.15Å |
| 24 | A | 67.8 | Low | 66.1 | Low | 42 Ų | 42 | 73.5 Ų | 73.5 | 35% | 0.347 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L20 S21 G27 C28 | L20-A24 WeakPolarHBondContact O-CB 2.92Å; L20-A24 PolarHBondContact O-N 3.25Å; S21-A24 PolarHBondContact O-N 3.22Å; A24-G27 PolarHBondContact O-N 2.78Å; A24-C28 PolarHBondContact O-N 3.16Å |
| 25 | I | 73.2 | Confident | 65.6 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 40% | 0.395 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.1 | -67.3 | 164.8 | 0 | 0 | 0 | 110.1 | S21 G27 C28 L29 | S21-I25 WeakPolarHBondContact O-CB 3.29Å; S21-I25 WeakPolarHBondContact O-CD1 3.24Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.34Å; S21-I25 PolarHBondContact O-N 3.18Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.28Å; I25-C28 PolarHBondContact O-N 2.86Å; I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 2.92Å |
| 26 | T | 73.3 | Confident | 64.8 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176.4 | -50.6 | 0 | 0 | 0 | 0 | 111 | T22 L29 L30 | T22-T26 VanDerWaalsContact O-CB 3.26Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 2.89Å; T22-T26 PolarHBondContact O-OG1 2.9Å; T26-L29 PolarHBondContact O-N 3.24Å; T26-L30 HydrophobicContact CG2-CD1 3.88Å; T26-L30 HydrophobicContact CG2-CG 4.32Å; T26-L30 WeakPolarHBondContact O-CB 3.16Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.17Å |
| 27 | G | 73.8 | Confident | 64 | Low | 32 Ų | 32 | 80.7 Ų | 80.7 | 33% | 0.33 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -53.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V23 A24 I25 L29 L30 S31 | V23-G27 PolarHBondContact O-N 3.15Å; A24-G27 PolarHBondContact O-N 2.78Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.28Å; G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.94Å; G27-L30 PolarHBondContact O-N 2.92Å; G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.08Å |
| 28 | C | 66.4 | Low | 62.9 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 26% | 0.257 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -53.1 | -50.5 | 173.9 | -83.3 | 0 | 0 | 0 | 0 | 109.9 | A24 I25 L30 S31 F32 C53 | A24-C28 PolarHBondContact O-N 3.16Å; I25-C28 PolarHBondContact O-N 2.86Å; C28-L30 PolarHBondContact O-N 3.17Å; C28-S31 WeakPolarHBondContact O-CB 3.26Å; C28-S31 PolarHBondContact O-N 3.41Å; C28-S31 VanDerWaalsContact O-N 3.17Å; C28-F32 HydrophobicContact CB-CE2 4.35Å; C28-F32 WeakPolarHBondContact O-CD2 3.17Å; C28-F32 PolarHBondContact O-N 3.38Å; C28-F32 VanDerWaalsContact O-N 3.1Å; C28-C53 HydrophobicContact CB-CB 4.35Å; C28-C53 WeakPolarHBondContact CB-SG 3.43Å; C28-C53 WeakPolarHBondContact SG-CB 3.45Å; C28-C53 CovalentContact SG-SG 2.09Å; C28-C53 PolarHBondContact SG-SG 2.96Å |
| 29 | L | 66.5 | Low | 61.7 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -31.7 | -177.4 | -70.7 | 175.1 | 0 | 0 | 0 | 114.4 | I25 T26 G27 P33 | I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 2.92Å; T26-L29 PolarHBondContact O-N 3.24Å; G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.94Å; L29-P33 WeakPolarHBondContact O-CD 3.44Å |
| 30 | L | 67.1 | Low | 60.5 | Low | 116 Ų | 116 | 93.1 Ų | 93.1 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.7 | -27.3 | 175.1 | -74.1 | 167.5 | 0 | 0 | 0 | 112.2 | T26 G27 C28 P33 | T26-L30 HydrophobicContact CG2-CD1 3.88Å; T26-L30 HydrophobicContact CG2-CG 4.32Å; T26-L30 WeakPolarHBondContact O-CB 3.16Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.17Å; G27-L30 PolarHBondContact O-N 2.92Å; C28-L30 PolarHBondContact O-N 3.17Å; L30-P33 WeakPolarHBondContact O-CD 3.23Å |
| 31 | S | 63.3 | Low | 59.2 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.5 | -29.4 | 173.2 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | G27 C28 A35 | G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.08Å; C28-S31 WeakPolarHBondContact O-CB 3.26Å; C28-S31 PolarHBondContact O-N 3.41Å; C28-S31 VanDerWaalsContact O-N 3.17Å; S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 3.05Å; S31-A35 VanDerWaalsContact O-N 3.16Å |
| 32 | F | 59 | Low | 57.8 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 29% | 0.285 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | -179.7 | -90.8 | -75.2 | 0 | 0 | 0 | 115.2 | C28 A35 F36 L50 | C28-F32 HydrophobicContact CB-CE2 4.35Å; C28-F32 WeakPolarHBondContact O-CD2 3.17Å; C28-F32 PolarHBondContact O-N 3.38Å; C28-F32 VanDerWaalsContact O-N 3.1Å; F32-A35 PolarHBondContact O-N 3.44Å; F32-F36 WeakPolarHBondContact O-CB 3.43Å; F32-F36 PolarHBondContact O-N 3.06Å; F32-L50 HydrophobicContact CZ-CD1 4.26Å |
| 33 | P | 54.6 | Low | 56.9 | Low | 80 Ų | 80 | 108.7 Ų | 108.7 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.4 | -27.5 | -177.3 | 24.4 | -32 | 0 | 0 | 0 | 113.8 | L29 L30 H37 | L29-P33 WeakPolarHBondContact O-CD 3.44Å; L30-P33 WeakPolarHBondContact O-CD 3.23Å; P33-H37 PolarHBondContact O-N 2.9Å |
| 34 | L | 51.1 | Low | 55.8 | Low | 144 Ų | 144 | 107.9 Ų | 107.9 | 75% | 0.754 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.2 | -34.3 | 173.3 | -82.5 | 155.9 | 0 | 0 | 0 | 111.7 | ||
| 35 | A | 49.5 | Very low | 54.7 | Low | 41 Ų | 41 | 108.5 Ų | 108.5 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.6 | -40.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | S31 F32 H37 Y38 V39 | S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 3.05Å; S31-A35 VanDerWaalsContact O-N 3.16Å; F32-A35 PolarHBondContact O-N 3.44Å; A35-H37 VanDerWaalsContact C-N 3.27Å; A35-H37 PolarHBondContact O-N 3.19Å; A35-Y38 PolarHBondContact O-N 3.25Å; A35-V39 VanDerWaalsContact O-CB 3.24Å; A35-V39 WeakPolarHBondContact O-CB 3.47Å; A35-V39 WeakPolarHBondContact O-CG2 3.17Å; A35-V39 PolarHBondContact O-N 3.48Å |
| 36 | F | 45.9 | Very low | 53.4 | Low | 153 Ų | 153 | 106.8 Ų | 106.8 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.2 | -30 | -176.9 | -118.1 | -95.5 | 0 | 0 | 0 | 114.1 | F32 Y38 | F32-F36 WeakPolarHBondContact O-CB 3.43Å; F32-F36 PolarHBondContact O-N 3.06Å; F36-Y38 VanDerWaalsContact C-N 3.32Å |
| 37 | H | 48.8 | Very low | 52.3 | Low | 186 Ų | 186 | 109 Ų | 109 | 86% | 0.861 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -14.9 | 176.6 | -126.7 | -73.7 | 0 | 0 | 0 | 113.5 | P33 A35 | P33-H37 PolarHBondContact O-N 2.9Å; A35-H37 VanDerWaalsContact C-N 3.27Å; A35-H37 PolarHBondContact O-N 3.19Å |
| 38 | Y | 43.4 | Very low | 51.2 | Low | 208 Ų | 208 | 110.2 Ų | 110.2 | 82% | 0.816 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -16.9 | 177.2 | -149.1 | -95.5 | 0 | 0 | 0 | 112.3 | A35 F36 | A35-Y38 PolarHBondContact O-N 3.25Å; F36-Y38 VanDerWaalsContact C-N 3.32Å |
| 39 | V | 44.3 | Very low | 50.4 | Low | 45 Ų | 45 | 113 Ų | 113 | 27% | 0.273 | 59% | 0.592 | S | S | . | * | trans | -115.8 | 50.4 | -166.3 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | A35 K41 A46 | A35-V39 VanDerWaalsContact O-CB 3.24Å; A35-V39 WeakPolarHBondContact O-CB 3.47Å; A35-V39 WeakPolarHBondContact O-CG2 3.17Å; A35-V39 PolarHBondContact O-N 3.48Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-A46 HydrophobicContact CG1-CB 4.06Å | ||
| 40 | Q | 42.3 | Very low | 49.8 | Very low | 200 Ų | 200 | 110.8 Ų | 110.8 | 94% | 0.935 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -88.5 | 3 | 156.6 | -85.3 | -152 | -46.2 | 0 | 0 | 112.5 | ||
| 41 | K | 42.1 | Very low | 49.3 | Very low | 194 Ų | 194 | 109.1 Ų | 109.1 | 84% | 0.843 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -131.2 | 5.2 | -168.6 | -130.8 | 179.1 | -176.8 | -177.3 | 0 | 117.1 | V39 | V39-K41 VanDerWaalsContact C-N 3.29Š|
| 42 | L | 38.6 | Very low | 48.9 | Very low | 126 Ų | 126 | 111.2 Ų | 111.2 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | trans | -149.5 | 90.9 | -178 | -76.3 | 170 | 0 | 0 | 0 | 110.9 | A44 | L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.21Å | ||
| 43 | E | 52.1 | Low | 48.7 | Very low | 193 Ų | 193 | 109.1 Ų | 109.1 | 90% | 0.902 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -3.1 | -172.5 | -85.5 | -165.5 | 137.5 | 0 | 0 | 116.4 | ||
| 44 | A | 49.8 | Very low | 48.7 | Very low | 81 Ų | 81 | 108.8 Ų | 108.8 | 67% | 0.669 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -33.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L42 A48 | L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.21Å; A44-A48 PolarHBondContact O-N 3.3Å |
| 45 | S | 43.5 | Very low | 49.1 | Very low | 55 Ų | 55 | 106.2 Ų | 106.2 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.6 | -39.8 | -173.3 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | Q47 A48 D49 | S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.47Å; S45-A48 PolarHBondContact O-N 2.96Å; S45-D49 PolarHBondContact O-N 2.92Å |
| 46 | A | 45.4 | Very low | 49.4 | Very low | 40 Ų | 40 | 111.4 Ų | 111.4 | 33% | 0.331 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.5 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V39 L50 | V39-A46 HydrophobicContact CG1-CB 4.06Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.45Å |
| 47 | Q | 50.3 | Low | 49.8 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.8 | -38 | 178.9 | -145.7 | 76.3 | -28.3 | 0 | 0 | 111.6 | S45 L50 N51 | S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.47Å; Q47-L50 PolarHBondContact O-N 3.08Å; Q47-N51 WeakPolarHBondContact O-CB 3.05Å; Q47-N51 PolarHBondContact O-N 3.47Å; Q47-N51 PolarHBondContact O-ND2 3Å |
| 48 | A | 51.9 | Low | 50.1 | Low | 57 Ų | 57 | 105.6 Ų | 105.6 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A44 S45 L50 N51 F52 | A44-A48 PolarHBondContact O-N 3.3Å; S45-A48 PolarHBondContact O-N 2.96Å; A48-L50 VanDerWaalsContact C-N 3.35Å; A48-L50 PolarHBondContact O-N 2.99Å; A48-N51 PolarHBondContact O-N 3.01Å; A48-F52 PolarHBondContact O-N 3.12Å |
| 49 | D | 50 | Low | 50.5 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.4 | -71.8 | -25.3 | 0 | 0 | 0 | 112 | S45 F52 C53 | S45-D49 PolarHBondContact O-N 2.92Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.46Å; D49-C53 PolarHBondContact O-N 3.25Å |
| 50 | L | 52.8 | Low | 50.9 | Low | 51 Ų | 51 | 98.9 Ų | 98.9 | 27% | 0.267 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 173.8 | -178 | 65.7 | 0 | 0 | 0 | 111.6 | F32 A46 Q47 A48 F52 C53 K54 | F32-L50 HydrophobicContact CZ-CD1 4.26Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.45Å; Q47-L50 PolarHBondContact O-N 3.08Å; A48-L50 VanDerWaalsContact C-N 3.35Å; A48-L50 PolarHBondContact O-N 2.99Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 2.93Å; L50-C53 PolarHBondContact O-N 2.79Å; L50-K54 HydrophobicContact CG-CD 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 VanDerWaalsContact O-CG 3.26Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 2.96Å |
| 51 | N | 56.2 | Low | 51.6 | Low | 81 Ų | 81 | 94.8 Ų | 94.8 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 177.1 | -72.2 | -24.6 | 0 | 0 | 0 | 111.8 | Q47 A48 T55 | Q47-N51 WeakPolarHBondContact O-CB 3.05Å; Q47-N51 PolarHBondContact O-N 3.47Å; Q47-N51 PolarHBondContact O-ND2 3Å; A48-N51 PolarHBondContact O-N 3.01Å; N51-T55 WeakPolarHBondContact O-CB 3.5Å; N51-T55 PolarHBondContact O-N 3.29Å; N51-T55 PolarHBondContact O-OG1 3.03Å |
| 52 | F | 56 | Low | 52.3 | Low | 121 Ų | 121 | 93.8 Ų | 93.8 | 53% | 0.531 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -51.1 | 173.5 | -174.2 | -99.4 | 0 | 0 | 0 | 112.2 | A48 D49 L50 K54 T55 R56 | A48-F52 PolarHBondContact O-N 3.12Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.46Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 2.93Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 2.86Å; F52-T55 PolarHBondContact O-N 3.16Å; F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 3.5Å |
| 53 | C | 53.5 | Low | 53 | Low | 22 Ų | 22 | 96.8 Ų | 96.8 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 176.5 | -74 | 0 | 0 | 0 | 0 | 111.1 | C28 D49 L50 T57 | C28-C53 HydrophobicContact CB-CB 4.35Å; C28-C53 WeakPolarHBondContact CB-SG 3.43Å; C28-C53 WeakPolarHBondContact SG-CB 3.45Å; C28-C53 CovalentContact SG-SG 2.09Å; C28-C53 PolarHBondContact SG-SG 2.96Å; D49-C53 PolarHBondContact O-N 3.25Å; L50-C53 PolarHBondContact O-N 2.79Å; C53-T57 VanDerWaalsContact O-CB 3.29Å; C53-T57 WeakPolarHBondContact O-CB 3.41Å; C53-T57 PolarHBondContact O-N 3.03Å; C53-T57 PolarHBondContact O-OG1 2.94Å |
| 54 | K | 54.7 | Low | 52.8 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 173.2 | -78.8 | 172.5 | -179.4 | 172.6 | 0 | 112.3 | L50 F52 R56 T57 R58 | L50-K54 HydrophobicContact CG-CD 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 VanDerWaalsContact O-CG 3.26Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 2.96Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 2.86Å; K54-R56 PolarHBondContact O-N 3.21Å; K54-T57 PolarHBondContact O-N 3.39Å; K54-R58 WeakPolarHBondContact O-CB 3.37Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.01Å |
| 55 | T | 59.6 | Low | 52.5 | Low | 91 Ų | 91 | 91.2 Ų | 91.2 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | -178 | -58 | 0 | 0 | 0 | 0 | 111.3 | N51 F52 R58 S59 | N51-T55 WeakPolarHBondContact O-CB 3.5Å; N51-T55 PolarHBondContact O-N 3.29Å; N51-T55 PolarHBondContact O-OG1 3.03Å; F52-T55 PolarHBondContact O-N 3.16Å; T55-R58 PolarHBondContact O-N 3.45Å; T55-S59 PolarHBondContact O-N 2.08Å |
| 56 | R | 55.4 | Low | 52.8 | Low | 150 Ų | 150 | 93 Ų | 93 | 57% | 0.566 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.4 | -40.6 | 179.8 | -161.7 | 152.9 | -179.3 | 154.5 | -3.4 | 112.2 | F52 K54 S59 I60 | F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 3.5Å; K54-R56 PolarHBondContact O-N 3.21Å; R56-S59 PolarHBondContact O-N 2.83Å; R56-I60 HydrophobicContact CG-CD1 4.24Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.24Å; R56-I60 PolarHBondContact O-N 3.31Å |
| 57 | T | 55.9 | Low | 52.9 | Low | 70 Ų | 70 | 95 Ų | 95 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.2 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | C53 K54 S59 I60 W61 | C53-T57 VanDerWaalsContact O-CB 3.29Å; C53-T57 WeakPolarHBondContact O-CB 3.41Å; C53-T57 PolarHBondContact O-N 3.03Å; C53-T57 PolarHBondContact O-OG1 2.94Å; K54-T57 PolarHBondContact O-N 3.39Å; T57-S59 PolarHBondContact O-N 3.41Å; T57-I60 PolarHBondContact O-N 3.17Å; T57-W61 WeakPolarHBondContact O-CB 3.42Å; T57-W61 PolarHBondContact O-N 2.89Å |
| 58 | R | 55.3 | Low | 52.5 | Low | 146 Ų | 146 | 92.3 Ų | 92.3 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 175.2 | -80.9 | 178.8 | 171.4 | 166.9 | -2.7 | 113.4 | K54 T55 R62 | K54-R58 WeakPolarHBondContact O-CB 3.37Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.01Å; T55-R58 PolarHBondContact O-N 3.45Å; R58-R62 WeakPolarHBondContact O-CB 3.24Å; R58-R62 PolarHBondContact O-N 3.39Å |
| 59 | S | 50.6 | Low | 52 | Low | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | T55 R56 T57 R63 | T55-S59 PolarHBondContact O-N 2.08Å; R56-S59 PolarHBondContact O-N 2.83Å; T57-S59 PolarHBondContact O-N 3.41Å; S59-R63 PolarHBondContact O-N 2.69Å; S59-R63 VanDerWaalsContact O-N 3.09Å |
| 60 | I | 53.5 | Low | 51.6 | Low | 56 Ų | 56 | 97.6 Ų | 97.6 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 176.3 | -67.7 | 167.8 | 0 | 0 | 0 | 110.6 | R56 T57 R62 R63 M64 | R56-I60 HydrophobicContact CG-CD1 4.24Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.24Å; R56-I60 PolarHBondContact O-N 3.31Å; T57-I60 PolarHBondContact O-N 3.17Å; I60-R62 PolarHBondContact O-N 2.98Å; I60-R63 PolarHBondContact O-N 2.97Å; I60-M64 WeakPolarHBondContact O-CB 3.06Å; I60-M64 PolarHBondContact O-N 2.66Å |
| 61 | W | 57.2 | Low | 51.2 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.4 | -169.1 | 84.8 | 0 | 0 | 0 | 112.3 | T57 R63 M64 M65 | T57-W61 WeakPolarHBondContact O-CB 3.42Å; T57-W61 PolarHBondContact O-N 2.89Å; W61-R63 PolarHBondContact O-N 2.99Å; W61-M64 WeakPolarHBondContact O-CB 3.33Å; W61-M64 PolarHBondContact O-N 3.46Å; W61-M64 VanDerWaalsContact O-N 3.16Å; W61-M65 HydrophobicContact CD2-CG 3.91Å; W61-M65 HydrophobicContact CE3-CG 3.96Å; W61-M65 HydrophobicContact CH2-CE 3.58Å; W61-M65 HydrophobicContact CH2-CG 4.07Å; W61-M65 HydrophobicContact CH2-SD 4.47Å; W61-M65 HydrophobicContact CZ2-CE 3.53Å; W61-M65 HydrophobicContact CZ2-CG 4Å; W61-M65 HydrophobicContact CZ2-SD 4.1Å; W61-M65 HydrophobicContact CZ3-CE 4.38Å; W61-M65 HydrophobicContact CZ3-CG 4.04Å; W61-M65 VanDerWaalsContact O-CG 3.29Å; W61-M65 WeakPolarHBondContact O-CG 3.49Å; W61-M65 PolarHBondContact O-N 3.3Å |
| 62 | R | 55.9 | Low | 50.6 | Low | 173 Ų | 173 | 96.6 Ų | 96.6 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | 173.6 | -88.2 | -171.2 | -82.5 | 170.1 | -9 | 112.8 | R58 I60 M64 M65 S66 | R58-R62 WeakPolarHBondContact O-CB 3.24Å; R58-R62 PolarHBondContact O-N 3.39Å; I60-R62 PolarHBondContact O-N 2.98Å; R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 3.25Å; R62-M65 PolarHBondContact O-N 3.47Å; R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.37Å |
| 63 | R | 52.9 | Low | 49.8 | Very low | 189 Ų | 189 | 94.2 Ų | 94.2 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -34.1 | 175.1 | -92.7 | 176.9 | 169.4 | 175.6 | -3 | 112.9 | S59 I60 W61 S66 V67 | S59-R63 PolarHBondContact O-N 2.69Å; S59-R63 VanDerWaalsContact O-N 3.09Å; I60-R63 PolarHBondContact O-N 2.97Å; W61-R63 PolarHBondContact O-N 2.99Å; R63-S66 WeakPolarHBondContact CA-OG 3.37Å; R63-S66 PolarHBondContact O-OG 3.03Å; R63-V67 VanDerWaalsContact O-CG2 3.28Å; R63-V67 WeakPolarHBondContact O-CG2 3.05Å |
| 64 | M | 48.2 | Very low | 49.4 | Very low | 82 Ų | 82 | 95.6 Ų | 95.6 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 177.9 | -159.3 | 167.7 | 179.1 | 0 | 0 | 111.5 | I18 I60 W61 R62 V67 | I18-M64 HydrophobicContact CD1-CE 3.97Å; I18-M64 HydrophobicContact CG1-CE 3.3Å; I60-M64 WeakPolarHBondContact O-CB 3.06Å; I60-M64 PolarHBondContact O-N 2.66Å; W61-M64 WeakPolarHBondContact O-CB 3.33Å; W61-M64 PolarHBondContact O-N 3.46Å; W61-M64 VanDerWaalsContact O-N 3.16Å; R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 3.25Å; M64-V67 PolarHBondContact O-N 2.09Å |
| 65 | M | 44.6 | Very low | 48.6 | Very low | 75 Ų | 75 | 97.6 Ų | 97.6 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.2 | -26.8 | 176.1 | -66.4 | -68.5 | -97.7 | 0 | 0 | 113 | W61 R62 | W61-M65 HydrophobicContact CD2-CG 3.91Å; W61-M65 HydrophobicContact CE3-CG 3.96Å; W61-M65 HydrophobicContact CH2-CE 3.58Å; W61-M65 HydrophobicContact CH2-CG 4.07Å; W61-M65 HydrophobicContact CH2-SD 4.47Å; W61-M65 HydrophobicContact CZ2-CE 3.53Å; W61-M65 HydrophobicContact CZ2-CG 4Å; W61-M65 HydrophobicContact CZ2-SD 4.1Å; W61-M65 HydrophobicContact CZ3-CE 4.38Å; W61-M65 HydrophobicContact CZ3-CG 4.04Å; W61-M65 VanDerWaalsContact O-CG 3.29Å; W61-M65 WeakPolarHBondContact O-CG 3.49Å; W61-M65 PolarHBondContact O-N 3.3Å; R62-M65 PolarHBondContact O-N 3.47Å |
| 66 | S | 48.7 | Very low | 47.8 | Very low | 92 Ų | 92 | 95.8 Ų | 95.8 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.5 | 177.3 | 62 | 0 | 0 | 0 | 0 | 114.7 | R62 R63 | R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.37Å; R63-S66 WeakPolarHBondContact CA-OG 3.37Å; R63-S66 PolarHBondContact O-OG 3.03Å |
| 67 | V | 46.7 | Very low | 47.5 | Very low | 83 Ų | 83 | 91.5 Ų | 91.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -96.7 | -7.6 | -176.6 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | R63 M64 | R63-V67 VanDerWaalsContact O-CG2 3.28Å; R63-V67 WeakPolarHBondContact O-CG2 3.05Å; M64-V67 PolarHBondContact O-N 2.09Å |
| 68 | S | 43 | Very low | 47.1 | Very low | 60 Ų | 60 | 93.4 Ų | 93.4 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | trans | -117.8 | 104.6 | 178.8 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | D70 | S68-D70 PolarHBondContact O-N 3.39Š| ||
| 69 | S | 42.2 | Very low | 46.7 | Very low | 121 Ų | 121 | 94.1 Ų | 94.1 | 85% | 0.846 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.9 | 173.9 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 70 | D | 40.9 | Very low | 46.6 | Very low | 144 Ų | 144 | 95.9 Ų | 95.9 | 77% | 0.77 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1.4 | -173.9 | -62.5 | -39 | 0 | 0 | 0 | 113.6 | S68 | S68-D70 PolarHBondContact O-N 3.39Š|
| 71 | G | 43.7 | Very low | 46.5 | Very low | 36 Ų | 36 | 96 Ų | 96 | 37% | 0.371 | 53% | 0.533 | S | S | . | . | trans | 58.5 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S73 | G71-S73 PolarHBondContact O-N 2.87Š| ||
| 72 | P | 43.5 | Very low | 46.2 | Very low | 75 Ų | 75 | 95.3 Ų | 95.3 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | trans | -66.8 | 112.5 | 169.6 | 27.6 | -29.4 | 0 | 0 | 0 | 107.6 | G74 A76 | P72-G74 PolarHBondContact O-N 3.37Å; P72-A76 HydrophobicContact CB-CB 4.1Å | ||
| 73 | S | 40.7 | Very low | 45.7 | Very low | 71 Ų | 71 | 92.1 Ų | 92.1 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | trans | -49.6 | 142.9 | 149.3 | 64.9 | 0 | 0 | 0 | 0 | 106.5 | G71 E75 A76 | G71-S73 PolarHBondContact O-N 2.87Å; S73-E75 PolarHBondContact O-N 3.17Å; S73-A76 PolarHBondContact O-N 3.1Å | ||
| 74 | G | 43.7 | Very low | 45.5 | Very low | 51 Ų | 51 | 87.1 Ų | 87.1 | 53% | 0.526 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -45.8 | -28.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | P72 A76 S77 D78 | P72-G74 PolarHBondContact O-N 3.37Å; G74-A76 PolarHBondContact O-N 2.92Å; G74-S77 PolarHBondContact O-N 3.42Å; G74-D78 WeakPolarHBondContact O-CB 3.33Å; G74-D78 VanDerWaalsContact O-CG 3.27Å; G74-D78 PolarHBondContact O-N 3.06Å |
| 75 | E | 39.5 | Very low | 45.6 | Very low | 113 Ų | 113 | 86.5 Ų | 86.5 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.7 | -37.9 | 174.3 | -144.2 | -174.1 | 153.5 | 0 | 0 | 116 | S73 R79 | S73-E75 PolarHBondContact O-N 3.17Å; E75-R79 VanDerWaalsContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CB 3.16Å; E75-R79 WeakPolarHBondContact O-CG 3.46Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-R79 IonicContact OE1-CZ 3.47Å; E75-R79 IonicContact OE1-NE 3.53Å; E75-R79 IonicContact OE1-NH2 2.75Å; E75-R79 PolarHBondContact OE1-NH2 3.39Å |
| 76 | A | 42.4 | Very low | 45.5 | Very low | 53 Ų | 53 | 88.3 Ų | 88.3 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.7 | -35.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P72 S73 G74 L80 | P72-A76 HydrophobicContact CB-CB 4.1Å; S73-A76 PolarHBondContact O-N 3.1Å; G74-A76 PolarHBondContact O-N 2.92Å; A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.29Å; A76-L80 VanDerWaalsContact O-N 3.16Å |
| 77 | S | 47.9 | Very low | 45.1 | Very low | 61 Ų | 61 | 88 Ų | 88 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 173.9 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | G74 L80 A81 | G74-S77 PolarHBondContact O-N 3.42Å; S77-L80 PolarHBondContact O-N 3Å; S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.1Å |
| 78 | D | 48.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 94.8 Ų | 94.8 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.2 | -39.7 | 176 | -75.2 | -22.6 | 0 | 0 | 0 | 111.8 | G74 L80 A81 D82 | G74-D78 WeakPolarHBondContact O-CB 3.33Å; G74-D78 VanDerWaalsContact O-CG 3.27Å; G74-D78 PolarHBondContact O-N 3.06Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 3.27Å; D78-A81 PolarHBondContact O-N 3.06Å; D78-D82 VanDerWaalsContact O-CB 3.26Å; D78-D82 WeakPolarHBondContact O-CB 3.46Å; D78-D82 PolarHBondContact O-N 3.31Å |
| 79 | R | 46.1 | Very low | 44 | Very low | 160 Ų | 160 | 99 Ų | 99 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -33.5 | 173.8 | -76.4 | 174.8 | -175.6 | -151.9 | 5.1 | 112.7 | E75 F83 | E75-R79 VanDerWaalsContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CB 3.16Å; E75-R79 WeakPolarHBondContact O-CG 3.46Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-R79 IonicContact OE1-CZ 3.47Å; E75-R79 IonicContact OE1-NE 3.53Å; E75-R79 IonicContact OE1-NH2 2.75Å; E75-R79 PolarHBondContact OE1-NH2 3.39Å; R79-F83 WeakPolarHBondContact O-CB 3.43Å; R79-F83 PolarHBondContact O-N 2.88Å |
| 80 | L | 49 | Very low | 43.3 | Very low | 94 Ų | 94 | 103.2 Ų | 103.2 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -40.3 | 173.4 | -173.8 | 65 | 0 | 0 | 0 | 111.1 | A76 S77 D78 M84 | A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.29Å; A76-L80 VanDerWaalsContact O-N 3.16Å; S77-L80 PolarHBondContact O-N 3Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 3.27Å; L80-M84 WeakPolarHBondContact O-CB 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.4Å; L80-M84 PolarHBondContact O-N 3.21Å |
| 81 | A | 51.3 | Low | 42.8 | Very low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S77 D78 M84 A85 | S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.1Å; D78-A81 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.23Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.87Å |
| 82 | D | 51.1 | Low | 42.1 | Very low | 100 Ų | 100 | 111.5 Ų | 111.5 | 54% | 0.535 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.9 | -38.3 | 178 | -164.6 | 56.6 | 0 | 0 | 0 | 112.1 | D78 M84 A85 N86 | D78-D82 VanDerWaalsContact O-CB 3.26Å; D78-D82 WeakPolarHBondContact O-CB 3.46Å; D78-D82 PolarHBondContact O-N 3.31Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.39Å; D82-A85 PolarHBondContact O-N 3.18Å; D82-N86 WeakPolarHBondContact O-CB 3.49Å; D82-N86 PolarHBondContact O-N 2.88Å; D82-N86 PolarHBondContact O-ND2 3.21Å |
| 83 | F | 45.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 47% | 0.465 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60 | -42.8 | 170.3 | 180 | -101 | 0 | 0 | 0 | 111.6 | T22 R79 N86 I87 | T22-F83 HydrophobicContact CG2-CZ 4.27Å; R79-F83 WeakPolarHBondContact O-CB 3.43Å; R79-F83 PolarHBondContact O-N 2.88Å; F83-N86 PolarHBondContact O-N 3.17Å; F83-I87 HydrophobicContact CE1-CD1 4.49Å |
| 84 | M | 48.8 | Very low | 41.1 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 41% | 0.414 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.4 | -33.3 | 176.5 | -67.1 | -75.2 | -89.4 | 0 | 0 | 112.3 | L80 A81 D82 N86 I87 L108 | L80-M84 WeakPolarHBondContact O-CB 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.4Å; L80-M84 PolarHBondContact O-N 3.21Å; A81-M84 PolarHBondContact O-N 3.23Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.39Å; M84-N86 VanDerWaalsContact C-N 3.31Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; M84-L108 HydrophobicContact CE-CD1 4.08Å |
| 85 | A | 49.1 | Very low | 40.8 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.7 | -27.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | A81 D82 | A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.87Å; D82-A85 PolarHBondContact O-N 3.18Å |
| 86 | N | 43.4 | Very low | 40.9 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -0.2 | -180 | -88 | -41.1 | 0 | 0 | 0 | 115 | D82 F83 M84 R88 | D82-N86 WeakPolarHBondContact O-CB 3.49Å; D82-N86 PolarHBondContact O-N 2.88Å; D82-N86 PolarHBondContact O-ND2 3.21Å; F83-N86 PolarHBondContact O-N 3.17Å; M84-N86 VanDerWaalsContact C-N 3.31Å; N86-R88 PolarHBondContact O-N 3.03Å |
| 87 | I | 40.7 | Very low | 40.5 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 44% | 0.436 | 63% | 0.634 | S | S | . | * | trans | -74.9 | 63 | 167.5 | -51.1 | -176.9 | 0 | 0 | 0 | 109.5 | F83 M84 L89 | F83-I87 HydrophobicContact CE1-CD1 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; I87-L89 HydrophobicContact CG2-CD1 4.07Å; I87-L89 HydrophobicContact CG2-CG 4.34Å; I87-L89 PolarHBondContact O-N 3.43Å; I87-L89 VanDerWaalsContact O-N 3.13Å | ||
| 88 | R | 30.9 | Very low | 40.4 | Very low | 226 Ų | 226 | 125.2 Ų | 125.2 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -81.1 | 71.1 | 162.4 | -84.7 | -176.6 | 179.7 | 152.1 | 0.2 | 108.9 | N86 R90 | N86-R88 PolarHBondContact O-N 3.03Å; R88-R90 PolarHBondContact O-N 3.49Å; R88-R90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | L | 35 | Very low | 40.1 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | trans | -71.9 | 107.8 | 162.1 | -84 | 163.3 | 0 | 0 | 0 | 108.4 | I87 | I87-L89 HydrophobicContact CG2-CD1 4.07Å; I87-L89 HydrophobicContact CG2-CG 4.34Å; I87-L89 PolarHBondContact O-N 3.43Å; I87-L89 VanDerWaalsContact O-N 3.13Å | ||
| 90 | R | 28.4 | Very low | 39.9 | Very low | 210 Ų | 210 | 123.7 Ų | 123.7 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | trans | -53.8 | 149.3 | 172.7 | -74.2 | -171 | -179.1 | -160.2 | 2.6 | 111.1 | R88 | R88-R90 PolarHBondContact O-N 3.49Å; R88-R90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | R | 29.8 | Very low | 39.7 | Very low | 204 Ų | 204 | 124.2 Ų | 124.2 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | trans | 97.4 | 112.5 | 152.1 | -75.8 | 168.7 | 175.9 | 151.9 | -2.9 | 118.8 | ||||
| 92 | N | 27.7 | Very low | 39.6 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | 36.4 | 102.5 | 128.8 | -74.4 | -5.2 | 0 | 0 | 0 | 116.9 | |||||
| 93 | V | 33.9 | Very low | 39.5 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | -161.2 | 140.7 | 117.6 | 174.9 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 94 | G | 29.3 | Very low | 39.5 | Very low | 61 Ų | 61 | 126.9 Ų | 126.9 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | trans | -62.4 | 153.4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q96 | G94-Q96 PolarHBondContact O-N 3.34Š| ||
| 95 | S | 39.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 66 | 21.6 | 143.5 | -148.5 | 0 | 0 | 0 | 0 | 120.8 | ||
| 96 | Q | 39.9 | Very low | 40.2 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -127.6 | 2.8 | 171.1 | -80.7 | -74.6 | -31.2 | 0 | 0 | 114.2 | G94 S98 | G94-Q96 PolarHBondContact O-N 3.34Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.03Å | ||
| 97 | K | 35.7 | Very low | 40.6 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.7 | -11.9 | -171.5 | -89.9 | -174.1 | 173.3 | -176.5 | 0 | 116.3 | ||
| 98 | S | 45 | Very low | 41.3 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.1 | -32.4 | -175.1 | 53.5 | 0 | 0 | 0 | 0 | 114 | Q96 F102 | Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.03Å; S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.49Å |
| 99 | N | 43.2 | Very low | 42.7 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.8 | -42.6 | -169.1 | -78 | -14.5 | 0 | 0 | 0 | 113.9 | W103 | N99-W103 WeakPolarHBondContact O-CB 3.37Å; N99-W103 PolarHBondContact O-N 3.39Å |
| 100 | F | 41.2 | Very low | 43.7 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71 | -41.6 | -178.4 | -176.9 | -102.7 | 0 | 0 | 0 | 112.3 | W103 M104 | F100-W103 PolarHBondContact O-N 2.94Å; F100-M104 HydrophobicContact CD1-CE 4.08Å; F100-M104 HydrophobicContact CE1-CE 3.43Å; F100-M104 VanDerWaalsContact CE1-CE 3.43Å; F100-M104 HydrophobicContact CE1-CG 4.1Å; F100-M104 HydrophobicContact CE1-SD 3.82Å; F100-M104 HydrophobicContact CE2-CG 4.34Å; F100-M104 HydrophobicContact CZ-CE 4.06Å; F100-M104 HydrophobicContact CZ-CG 3.97Å; F100-M104 HydrophobicContact CZ-SD 3.79Å; F100-M104 WeakPolarHBondContact O-CB 3.34Å; F100-M104 PolarHBondContact O-N 2.91Å |
| 101 | E | 45.9 | Very low | 44.9 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -39.3 | 178.2 | -140.7 | -140.9 | 147.6 | 0 | 0 | 111.2 | K105 | E101-K105 VanDerWaalsContact O-CB 3.27Å; E101-K105 WeakPolarHBondContact O-CB 3.05Å; E101-K105 VanDerWaalsContact O-CG 3.28Å; E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 2.88Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3.27Å; E101-K105 IonicContact OE2-NZ 3.75Å |
| 102 | F | 48.1 | Very low | 46.1 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.5 | -43.5 | 173.7 | -176.1 | -96.3 | 0 | 0 | 0 | 111.9 | S98 K105 R106 | S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.49Å; F102-K105 PolarHBondContact O-N 2.9Å; F102-R106 WeakPolarHBondContact O-CB 3.48Å; F102-R106 PolarHBondContact O-N 3.41Å |
| 103 | W | 48.2 | Very low | 47.2 | Very low | 125 Ų | 125 | 111.7 Ų | 111.7 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -45.9 | 178.7 | -173.7 | 85.2 | 0 | 0 | 0 | 111.8 | N99 F100 R106 V107 | N99-W103 WeakPolarHBondContact O-CB 3.37Å; N99-W103 PolarHBondContact O-N 3.39Å; F100-W103 PolarHBondContact O-N 2.94Å; W103-R106 PolarHBondContact O-N 3.09Å; W103-R106 VanDerWaalsContact O-N 3.17Å; W103-V107 HydrophobicContact CD2-CG2 3.93Å; W103-V107 HydrophobicContact CE3-CG2 4.14Å; W103-V107 HydrophobicContact CH2-CG2 3.96Å; W103-V107 HydrophobicContact CZ2-CG2 3.75Å; W103-V107 HydrophobicContact CZ3-CG2 4.16Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å; W103-V107 PolarHBondContact O-N 3.24Å |
| 104 | M | 46.7 | Very low | 48.1 | Very low | 63 Ų | 63 | 110.3 Ų | 110.3 | 31% | 0.31 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.7 | -83.3 | -149.8 | -55.8 | 0 | 0 | 112.4 | F100 R106 V107 L108 | F100-M104 HydrophobicContact CD1-CE 4.08Å; F100-M104 HydrophobicContact CE1-CE 3.43Å; F100-M104 VanDerWaalsContact CE1-CE 3.43Å; F100-M104 HydrophobicContact CE1-CG 4.1Å; F100-M104 HydrophobicContact CE1-SD 3.82Å; F100-M104 HydrophobicContact CE2-CG 4.34Å; F100-M104 HydrophobicContact CZ-CE 4.06Å; F100-M104 HydrophobicContact CZ-CG 3.97Å; F100-M104 HydrophobicContact CZ-SD 3.79Å; F100-M104 WeakPolarHBondContact O-CB 3.34Å; F100-M104 PolarHBondContact O-N 2.91Å; M104-R106 PolarHBondContact O-N 3.45Å; M104-V107 PolarHBondContact O-N 2.99Å; M104-L108 WeakPolarHBondContact O-CB 3.06Å; M104-L108 PolarHBondContact O-N 3.43Å |
| 105 | K | 52.8 | Low | 49 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.1 | -36 | 174.3 | -82.3 | 171.6 | 168.6 | 162.6 | 0 | 111.6 | E101 F102 K109 | E101-K105 VanDerWaalsContact O-CB 3.27Å; E101-K105 WeakPolarHBondContact O-CB 3.05Å; E101-K105 VanDerWaalsContact O-CG 3.28Å; E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 2.88Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3.27Å; E101-K105 IonicContact OE2-NZ 3.75Å; F102-K105 PolarHBondContact O-N 2.9Å; K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 2.82Å |
| 106 | R | 60 | Low | 49.4 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.6 | -47.2 | 178.1 | -168.4 | 168.8 | 174.2 | 155.1 | -5.5 | 112.5 | F102 W103 M104 L108 K109 D110 | F102-R106 WeakPolarHBondContact O-CB 3.48Å; F102-R106 PolarHBondContact O-N 3.41Å; W103-R106 PolarHBondContact O-N 3.09Å; W103-R106 VanDerWaalsContact O-N 3.17Å; M104-R106 PolarHBondContact O-N 3.45Å; R106-L108 PolarHBondContact O-N 2.97Å; R106-K109 PolarHBondContact O-N 2.89Å; R106-D110 WeakPolarHBondContact O-CB 3.43Å; R106-D110 PolarHBondContact O-N 2.65Å |
| 107 | V | 52.1 | Low | 49.8 | Very low | 55 Ų | 55 | 103.8 Ų | 103.8 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | W103 M104 E111 | W103-V107 HydrophobicContact CD2-CG2 3.93Å; W103-V107 HydrophobicContact CE3-CG2 4.14Å; W103-V107 HydrophobicContact CH2-CG2 3.96Å; W103-V107 HydrophobicContact CZ2-CG2 3.75Å; W103-V107 HydrophobicContact CZ3-CG2 4.16Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å; W103-V107 PolarHBondContact O-N 3.24Å; M104-V107 PolarHBondContact O-N 2.99Å; V107-E111 WeakPolarHBondContact O-CB 3.47Å; V107-E111 WeakPolarHBondContact O-CG 3.18Å; V107-E111 PolarHBondContact O-N 3.2Å |
| 108 | L | 54.2 | Low | 50.2 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 176.6 | -78.6 | 158.3 | 0 | 0 | 0 | 112.1 | M84 M104 R106 V112 | M84-L108 HydrophobicContact CE-CD1 4.08Å; M104-L108 WeakPolarHBondContact O-CB 3.06Å; M104-L108 PolarHBondContact O-N 3.43Å; R106-L108 PolarHBondContact O-N 2.97Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å |
| 109 | K | 61.1 | Low | 50 | Low | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 177 | -170.6 | 173.5 | -170.7 | 176.2 | 0 | 112 | K105 R106 R113 | K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 2.82Å; R106-K109 PolarHBondContact O-N 2.89Å; K109-R113 WeakPolarHBondContact O-CB 3.29Å; K109-R113 PolarHBondContact O-N 3.02Å |
| 110 | D | 54.6 | Low | 49.9 | Very low | 73 Ų | 73 | 101.4 Ų | 101.4 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.3 | -72.4 | -22.9 | 0 | 0 | 0 | 111.1 | R106 R113 L114 | R106-D110 WeakPolarHBondContact O-CB 3.43Å; R106-D110 PolarHBondContact O-N 2.65Å; D110-R113 PolarHBondContact O-N 2.76Å; D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 WeakPolarHBondContact O-CD1 3.3Å; D110-L114 WeakPolarHBondContact O-CG 3.21Å; D110-L114 PolarHBondContact O-N 3.31Å |
| 111 | E | 54.2 | Low | 50.1 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 36% | 0.36 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.4 | -79.6 | -81.8 | -177.3 | 0 | 0 | 112.4 | V107 R113 L114 S115 | V107-E111 WeakPolarHBondContact O-CB 3.47Å; V107-E111 WeakPolarHBondContact O-CG 3.18Å; V107-E111 PolarHBondContact O-N 3.2Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 2.04Å; E111-L114 PolarHBondContact O-N 2.94Å; E111-S115 VanDerWaalsContact O-CB 3.25Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.35Å |
| 112 | V | 54.4 | Low | 50.1 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L108 N116 | L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å; V112-N116 VanDerWaalsContact O-CB 3.26Å; V112-N116 WeakPolarHBondContact O-CB 3.02Å; V112-N116 PolarHBondContact O-N 2.84Å; V112-N116 PolarHBondContact O-ND2 3.38Å |
| 113 | R | 52.8 | Low | 49.8 | Very low | 176 Ų | 176 | 106.5 Ų | 106.5 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -39.6 | 177 | -164 | 176.5 | -170.5 | 174.8 | 1.7 | 111.8 | K109 D110 E111 S117 | K109-R113 WeakPolarHBondContact O-CB 3.29Å; K109-R113 PolarHBondContact O-N 3.02Å; D110-R113 PolarHBondContact O-N 2.76Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 2.04Å; R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 2.81Å; R113-S117 PolarHBondContact O-OG 2.97Å |
| 114 | L | 52.2 | Low | 49.3 | Very low | 111 Ų | 111 | 103.6 Ų | 103.6 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -44.4 | 173.6 | -80.1 | 156.3 | 0 | 0 | 0 | 111 | D110 E111 S117 S118 | D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 WeakPolarHBondContact O-CD1 3.3Å; D110-L114 WeakPolarHBondContact O-CG 3.21Å; D110-L114 PolarHBondContact O-N 3.31Å; E111-L114 PolarHBondContact O-N 2.94Å; L114-S117 PolarHBondContact O-N 3.43Å; L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 2.93Å |
| 115 | S | 48.7 | Very low | 49 | Very low | 46 Ų | 46 | 112.1 Ų | 112.1 | 32% | 0.322 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -45.3 | 176.1 | -169.5 | 0 | 0 | 0 | 0 | 112 | E111 S117 S118 A119 | E111-S115 VanDerWaalsContact O-CB 3.25Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.35Å; S115-S117 VanDerWaalsContact C-N 3.35Å; S115-S117 PolarHBondContact O-N 2.91Å; S115-S118 PolarHBondContact O-N 2.85Å; S115-A119 WeakPolarHBondContact O-CB 2.93Å; S115-A119 PolarHBondContact O-N 3.19Å |
| 116 | N | 46 | Very low | 48.3 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.2 | -28.6 | 175 | -85.5 | -30.5 | 0 | 0 | 0 | 113.6 | V112 K120 | V112-N116 VanDerWaalsContact O-CB 3.26Å; V112-N116 WeakPolarHBondContact O-CB 3.02Å; V112-N116 PolarHBondContact O-N 2.84Å; V112-N116 PolarHBondContact O-ND2 3.38Å; N116-K120 WeakPolarHBondContact O-CB 3.45Å; N116-K120 PolarHBondContact O-N 3.05Å |
| 117 | S | 48 | Very low | 47.3 | Very low | 54 Ų | 54 | 106.4 Ų | 106.4 | 38% | 0.378 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77.9 | -27.4 | 176.3 | -59 | 0 | 0 | 0 | 0 | 112.4 | R113 L114 S115 | R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 2.81Å; R113-S117 PolarHBondContact O-OG 2.97Å; L114-S117 PolarHBondContact O-N 3.43Å; S115-S117 VanDerWaalsContact C-N 3.35Å; S115-S117 PolarHBondContact O-N 2.91Å |
| 118 | S | 44.4 | Very low | 47 | Very low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.5 | -39.3 | 169.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | L114 S115 R121 | L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 2.93Å; S115-S118 PolarHBondContact O-N 2.85Å; S118-R121 PolarHBondContact O-N 3.41Å |
| 119 | A | 41.2 | Very low | 46.8 | Very low | 48 Ų | 48 | 106.9 Ų | 106.9 | 40% | 0.397 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.8 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S115 R121 Q122 | S115-A119 WeakPolarHBondContact O-CB 2.93Å; S115-A119 PolarHBondContact O-N 3.19Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 3.44Å; A119-Q122 PolarHBondContact O-N 3.33Å |
| 120 | K | 42 | Very low | 46.5 | Very low | 182 Ų | 182 | 101.2 Ų | 101.2 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -17.8 | 176.6 | -85.1 | -175.2 | 174.4 | -175.1 | 0 | 114.7 | N116 | N116-K120 WeakPolarHBondContact O-CB 3.45Å; N116-K120 PolarHBondContact O-N 3.05Å |
| 121 | R | 45.7 | Very low | 46.6 | Very low | 207 Ų | 207 | 103.6 Ų | 103.6 | 78% | 0.781 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -11.9 | 172.3 | -96.2 | -174.5 | -81.4 | -151 | -0.4 | 113.5 | S118 A119 | S118-R121 PolarHBondContact O-N 3.41Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 3.44Å |
| 122 | Q | 45.5 | Very low | 46.9 | Very low | 138 Ų | 138 | 100.9 Ų | 100.9 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -92.1 | -1 | -178.1 | -75.3 | -170.1 | -29.3 | 0 | 0 | 114.8 | A119 | A119-Q122 PolarHBondContact O-N 3.33Š|
| 123 | V | 42 | Very low | 47.5 | Very low | 126 Ų | 126 | 100.9 Ų | 100.9 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | trans | -110.1 | 61.5 | -179.3 | -162.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 124 | G | 37.5 | Very low | 48.5 | Very low | 64 Ų | 64 | 100.7 Ų | 100.7 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | trans | -130.2 | 72.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G126 | G124-G126 PolarHBondContact O-N 2.94Š| ||
| 125 | Y | 40.2 | Very low | 49.4 | Very low | 241 Ų | 241 | 95.5 Ų | 95.5 | 95% | 0.945 | 56% | 0.559 | S | S | * | * | trans | -69 | 81.8 | 169.6 | -96.7 | -95.3 | 0 | 0 | 0 | 108.4 | ||||
| 126 | G | 38.2 | Very low | 50.8 | Low | 62 Ų | 62 | 98.1 Ų | 98.1 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | trans | -141.4 | 112.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | G124 G128 | G124-G126 PolarHBondContact O-N 2.94Å; G126-G128 PolarHBondContact O-N 3.43Å | ||
| 127 | G | 39.2 | Very low | 52.4 | Low | 94 Ų | 94 | 96 Ų | 96 | 97% | 0.969 | 56% | 0.56 | S | S | * | * | trans | -54.1 | 125.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 128 | G | 44.1 | Very low | 54 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | trans | 160.7 | 106.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G126 | G126-G128 PolarHBondContact O-N 3.43Š| ||
| 129 | C | 51.7 | Low | 55.9 | Low | 80 Ų | 80 | 93 Ų | 93 | 54% | 0.541 | 54% | 0.538 | S | S | . | . | trans | 51.1 | 139.4 | 171.4 | -63.1 | 0 | 0 | 0 | 0 | 120.3 | T131 C315 | C129-T131 PolarHBondContact O-N 3.23Å; C129-T131 VanDerWaalsContact O-N 3.16Å; C129-C315 WeakPolarHBondContact CA-SG 3.48Å; C129-C315 HydrophobicContact CB-CB 4.19Å; C129-C315 WeakPolarHBondContact CB-SG 3.43Å; C129-C315 WeakPolarHBondContact SG-CB 3.3Å; C129-C315 CovalentContact SG-SG 2.04Å; C129-C315 PolarHBondContact SG-SG 3Å | ||
| 130 | C | 53.8 | Low | 57.8 | Low | 37 Ų | 37 | 93.7 Ų | 93.7 | 25% | 0.25 | 54% | 0.539 | C | S | . | . | trans | -46.5 | 119 | 167.2 | -73.4 | 0 | 0 | 0 | 0 | 109.5 | C132 C179 C312 | C130-C132 PolarHBondContact O-N 2.96Å; C130-C179 HydrophobicContact CB-CB 4.26Å; C130-C179 WeakPolarHBondContact CB-SG 3.35Å; C130-C179 WeakPolarHBondContact SG-CB 3.08Å; C130-C179 CovalentContact SG-SG 2.1Å; C130-C179 PolarHBondContact SG-SG 3.22Å; C130-C312 HydrophobicContact CB-CB 4.41Å; C130-C312 WeakPolarHBondContact CB-SG 3.42Å; C130-C312 PolarHBondContact O-SG 2.91Å | ||
| 131 | T | 58 | Low | 59.7 | Low | 123 Ų | 123 | 85.1 Ų | 85.1 | 76% | 0.755 | 50% | 0.502 | S | S | * | . | trans | -80.3 | 98.5 | 166.9 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | C129 | C129-T131 PolarHBondContact O-N 3.23Å; C129-T131 VanDerWaalsContact O-N 3.16Å | ||
| 132 | C | 60.2 | Low | 61.7 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 14% | 0.135 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 128.7 | 174.7 | -79.5 | 0 | 0 | 0 | 0 | 109.8 | C130 C181 G310 C312 | C130-C132 PolarHBondContact O-N 2.96Å; C132-C181 HydrophobicContact CB-CB 3.91Å; C132-C181 WeakPolarHBondContact SG-CB 3.09Å; C132-G310 WeakPolarHBondContact CB-O 3.35Å; C132-G310 PolarHBondContact SG-O 2.79Å; C132-C312 WeakPolarHBondContact CB-SG 3.26Å; C132-C312 WeakPolarHBondContact SG-CB 3.16Å; C132-C312 CovalentContact SG-SG 2.08Å; C132-C312 PolarHBondContact SG-SG 2.98Å |
| 133 | N | 66.8 | Low | 63.5 | Low | 76 Ų | 76 | 77.6 Ų | 77.6 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 163.7 | 176.2 | -78.6 | -41.8 | 0 | 0 | 0 | 110.9 | A165 S168 A183 | N133-A165 HydrophobicContact CB-CB 3.73Å; N133-S168 PolarHBondContact ND2-OG 3.41Å; N133-A183 WeakPolarHBondContact O-CB 3.33Å |
| 134 | R | 72.6 | Confident | 65.5 | Low | 171 Ų | 171 | 71.7 Ų | 71.7 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -98.5 | 146.1 | 172.9 | -72.9 | -172.3 | -175.1 | 175.7 | 0.1 | 110.8 | A165 G307 A309 | R134-A165 WeakPolarHBondContact O-CB 3.24Å; R134-G307 WeakPolarHBondContact CB-O 3.46Å; R134-G307 WeakPolarHBondContact CD-O 3.42Å; R134-G307 WeakPolarHBondContact CG-O 3.26Å; R134-A309 HydrophobicContact CG-CB 4.36Å |
| 135 | G | 72.6 | Confident | 67.8 | Low | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 145.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G307 | G135-G307 PolarHBondContact O-N 3.16Š|
| 136 | L | 77.2 | Confident | 70 | Confident | 102 Ų | 102 | 64.4 Ų | 64.4 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 145.8 | 178.6 | -68.1 | 176.1 | 0 | 0 | 0 | 110 | G162 P163 G186 | L136-G162 WeakPolarHBondContact O-CA 3.26Å; L136-P163 HydrophobicContact CB-CG 4.04Å; L136-P163 HydrophobicContact CD1-CG 4.08Å; L136-P163 PolarHBondContact N-O 3.4Å; L136-P163 VanDerWaalsContact N-O 3.08Å; L136-G186 WeakPolarHBondContact O-CA 3.35Å; L136-G186 PolarHBondContact O-N 2.88Å |
| 137 | P | 79.8 | Confident | 72 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 141.7 | 166.9 | -34.6 | 40.7 | 0 | 0 | 0 | 113.7 | G304 P306 | P137-G304 VanDerWaalsContact CB-O 3.29Å; P137-G304 WeakPolarHBondContact CB-O 3.16Å; P137-P306 HydrophobicContact CG-CB 4.2Å; P137-P306 HydrophobicContact CG-CG 3.85Å |
| 138 | G | 81.8 | Confident | 74 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -61 | 142.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E160 G162 D187 P303 G304 | G138-E160 WeakPolarHBondContact CA-O 3.41Å; G138-G162 VanDerWaalsContact CA-CA 3.45Å; G138-G162 VanDerWaalsContact CA-N 3.35Å; G138-D187 WeakPolarHBondContact CA-O 3.44Å; G138-D187 PolarHBondContact N-O 3.39Å; G138-D187 VanDerWaalsContact N-O 3.12Å; G138-P303 WeakPolarHBondContact O-CA 3.42Å; G138-G304 PolarHBondContact O-N 3.41Å |
| 139 | P | 83 | Confident | 75.5 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 40% | 0.403 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 154.4 | 172.7 | 27.5 | -35.7 | 0 | 0 | 0 | 111.2 | G159 E160 G189 | P139-G159 WeakPolarHBondContact O-CA 3.27Å; P139-E160 WeakPolarHBondContact CD-O 3.38Å; P139-E160 HydrophobicContact CG-CB 4.31Å; P139-G189 WeakPolarHBondContact O-CA 3.37Å |
| 140 | P | 82.9 | Confident | 76.3 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | trans | -40.4 | 140.8 | 165 | -38.9 | 42.9 | 0 | 0 | 0 | 114.7 | G301 P303 | P140-G301 WeakPolarHBondContact CB-O 3.08Å; P140-P303 HydrophobicContact CG-CB 4.47Å; P140-P303 HydrophobicContact CG-CG 3.86Å | ||
| 141 | G | 81.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 151.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E157 G159 L190 G301 | G141-E157 CarbonylContact C-O 3.48Å; G141-E157 WeakPolarHBondContact CA-O 3.45Å; G141-G159 VanDerWaalsContact CA-N 3.32Å; G141-L190 VanDerWaalsContact CA-O 3.24Å; G141-L190 WeakPolarHBondContact CA-O 3.36Å; G141-L190 PolarHBondContact N-O 2.88Å; G141-L190 VanDerWaalsContact N-O 3.08Å; G141-G301 PolarHBondContact O-N 2.92Å |
| 142 | Q | 86.8 | Confident | 78.7 | Confident | 133 Ų | 133 | 57.5 Ų | 57.5 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 144.1 | 177.4 | -67 | -173.4 | 38.7 | 0 | 0 | 110 | G156 E157 G192 | Q142-G156 WeakPolarHBondContact O-CA 3.23Å; Q142-E157 PolarHBondContact N-O 2.99Å; Q142-E157 PolarHBondContact O-N 2.93Å; Q142-G192 WeakPolarHBondContact O-CA 3.27Å; Q142-G192 PolarHBondContact O-N 3.16Å |
| 143 | P | 84.9 | Confident | 79.6 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 149.9 | 176.1 | -10.2 | 21.6 | 0 | 0 | 0 | 112.5 | G298 P300 | P143-G298 WeakPolarHBondContact CB-O 3.26Å; P143-P300 HydrophobicContact CG-CB 4.23Å; P143-P300 HydrophobicContact CG-CG 3.93Å |
| 144 | G | 82.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L154 E193 P297 G298 | G144-L154 CarbonylContact C-O 3.59Å; G144-L154 WeakPolarHBondContact CA-O 3.5Å; G144-E193 VanDerWaalsContact CA-O 3.23Å; G144-E193 WeakPolarHBondContact CA-O 3Å; G144-E193 PolarHBondContact N-O 2.96Å; G144-P297 WeakPolarHBondContact O-CA 3.36Å; G144-G298 PolarHBondContact O-N 2.85Å |
| 145 | L | 87 | Confident | 81.2 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 137.9 | 178 | -64 | 174.7 | 0 | 0 | 0 | 110.8 | G153 L154 | L145-G153 CarbonylContact O-C 3.56Å; L145-G153 VanDerWaalsContact O-CA 3.26Å; L145-G153 WeakPolarHBondContact O-CA 3.44Å; L145-L154 HydrophobicContact CB-CB 4.31Å; L145-L154 HydrophobicContact CD1-CD1 4.28Å; L145-L154 PolarHBondContact N-O 2.92Å; L145-L154 PolarHBondContact O-N 2.91Å |
| 146 | A | 85.8 | Confident | 81.8 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | G295 | A146-G295 VanDerWaalsContact CB-C 3.46Å; A146-G295 WeakPolarHBondContact CB-O 3.41Å |
| 147 | G | 80.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 156.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V151 V196 S294 G295 | G147-V151 CarbonylContact C-O 3.52Å; G147-V151 WeakPolarHBondContact CA-O 3.16Å; G147-V196 PolarHBondContact N-O 2.69Å; G147-V196 VanDerWaalsContact N-O 3.16Å; G147-S294 CarbonylContact O-C 3.53Å; G147-S294 WeakPolarHBondContact O-CA 3.24Å; G147-G295 PolarHBondContact O-N 3.44Å |
| 148 | A | 80.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -143.8 | 145.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | G150 V151 | A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 3.01Å; A148-V151 PolarHBondContact N-O 2.78Å; A148-V151 WeakPolarHBondContact O-CA 2.76Å; A148-V151 WeakPolarHBondContact O-CB 3.01Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.21Å |
| 149 | D | 75.3 | Confident | 82.5 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 36.9 | 175.7 | -63.4 | -51.3 | 0 | 0 | 0 | 115 | V151 T291 G292 | D149-V151 PolarHBondContact O-N 2.67Å; D149-T291 VanDerWaalsContact CG-CG2 3.44Å; D149-T291 VanDerWaalsContact OD1-CA 3.29Å; D149-T291 WeakPolarHBondContact OD1-CA 3.4Å; D149-T291 WeakPolarHBondContact OD1-CG2 3.35Å; D149-T291 VanDerWaalsContact OD2-CG2 3.24Å; D149-T291 WeakPolarHBondContact OD2-CG2 3.15Å; D149-G292 PolarHBondContact OD1-N 3.49Å |
| 150 | G | 69.5 | Low | 82.7 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 3.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | A148 P152 | A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 3.01Å; G150-P152 WeakPolarHBondContact O-CD 3.45Å |
| 151 | V | 80.1 | Confident | 82.9 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | B | Isolated β-bridge | trans | -77.9 | 124.6 | 167.2 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | G147 A148 D149 | G147-V151 CarbonylContact C-O 3.52Å; G147-V151 WeakPolarHBondContact CA-O 3.16Å; A148-V151 PolarHBondContact N-O 2.78Å; A148-V151 WeakPolarHBondContact O-CA 2.76Å; A148-V151 WeakPolarHBondContact O-CB 3.01Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.21Å; D149-V151 PolarHBondContact O-N 2.67Å |
| 152 | P | 81.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 149.3 | 179 | -26.6 | 35.5 | 0 | 0 | 0 | 113.5 | G150 D197 | G150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-D197 WeakPolarHBondContact CA-OD1 3.49Å; P152-D197 WeakPolarHBondContact CB-OD1 3.35Å |
| 153 | G | 80.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 151.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L145 R194 D197 | L145-G153 CarbonylContact O-C 3.56Å; L145-G153 VanDerWaalsContact O-CA 3.26Å; L145-G153 WeakPolarHBondContact O-CA 3.44Å; G153-R194 WeakPolarHBondContact O-CD 3.28Å; G153-R194 VanDerWaalsContact O-CG 3.24Å; G153-R194 WeakPolarHBondContact O-CG 3.37Å; G153-R194 PolarHBondContact O-NH1 2.91Å; G153-D197 PolarHBondContact N-OD1 3.3Å |
| 154 | L | 86.8 | Confident | 82 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 143.4 | 177.9 | -65.7 | 176 | 0 | 0 | 0 | 110.6 | G144 L145 G195 | G144-L154 CarbonylContact C-O 3.59Å; G144-L154 WeakPolarHBondContact CA-O 3.5Å; L145-L154 HydrophobicContact CB-CB 4.31Å; L145-L154 HydrophobicContact CD1-CD1 4.28Å; L145-L154 PolarHBondContact N-O 2.92Å; L145-L154 PolarHBondContact O-N 2.91Å; L154-G195 PolarHBondContact O-N 3.5Å |
| 155 | P | 86.1 | Confident | 81.3 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 151.6 | 170.4 | -22.7 | 34.2 | 0 | 0 | 0 | 112.2 | ||
| 156 | G | 83.8 | Confident | 80.3 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 155.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q142 P191 G192 | Q142-G156 WeakPolarHBondContact O-CA 3.23Å; G156-P191 WeakPolarHBondContact O-CB 3.11Å; G156-G192 WeakPolarHBondContact CA-O 3.27Å; G156-G192 PolarHBondContact N-O 2.62Å; G156-G192 VanDerWaalsContact N-O 3.15Å |
| 157 | E | 87.8 | Confident | 79.3 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 61% | 0.607 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 144.2 | 174.4 | -66.5 | -166.4 | 119.8 | 0 | 0 | 110.7 | G141 Q142 | G141-E157 CarbonylContact C-O 3.48Å; G141-E157 WeakPolarHBondContact CA-O 3.45Å; Q142-E157 PolarHBondContact N-O 2.99Å; Q142-E157 PolarHBondContact O-N 2.93Å |
| 158 | P | 86.5 | Confident | 78.2 | Confident | 89 Ų | 89 | 68.9 Ų | 68.9 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 147 | 171 | -14.8 | 22.1 | 0 | 0 | 0 | 111.9 | P191 | P158-P191 HydrophobicContact CB-CG 4.13Å; P158-P191 HydrophobicContact CG-CG 3.95Å |
| 159 | G | 80.3 | Confident | 77 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 9% | 0.093 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P139 G141 P188 G189 | P139-G159 WeakPolarHBondContact O-CA 3.27Å; G141-G159 VanDerWaalsContact CA-N 3.32Å; G159-P188 WeakPolarHBondContact O-CB 3.39Å; G159-G189 PolarHBondContact N-O 3.45Å |
| 160 | E | 87.3 | Confident | 75.8 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 73% | 0.734 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 158.1 | 173.7 | -65.9 | -169.7 | 141.3 | 0 | 0 | 111.4 | G138 P139 | G138-E160 WeakPolarHBondContact CA-O 3.41Å; P139-E160 WeakPolarHBondContact CD-O 3.38Å; P139-E160 HydrophobicContact CG-CB 4.31Å |
| 161 | R | 86.9 | Confident | 74.7 | Confident | 171 Ų | 171 | 79.7 Ų | 79.7 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 135.9 | 173.4 | -168.3 | -179.4 | -67.4 | -137.2 | -1.8 | 110 | P185 G186 P188 | R161-P185 HydrophobicContact CG-CB 4.02Å; R161-G186 WeakPolarHBondContact CG-O 3.25Å; R161-P188 HydrophobicContact CB-CG 4.37Å |
| 162 | G | 79.8 | Confident | 73 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 149.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L136 G138 P185 G186 | L136-G162 WeakPolarHBondContact O-CA 3.26Å; G138-G162 VanDerWaalsContact CA-CA 3.45Å; G138-G162 VanDerWaalsContact CA-N 3.35Å; G162-P185 WeakPolarHBondContact O-CB 3.35Å; G162-G186 PolarHBondContact N-O 3.38Å; G162-G186 VanDerWaalsContact N-O 3.17Å; G162-G186 PolarHBondContact O-N 3.4Å |
| 163 | P | 79.1 | Confident | 71.4 | Confident | 71 Ų | 71 | 85 Ų | 85 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 148.5 | -178.3 | 27.8 | -34.1 | 0 | 0 | 0 | 111.7 | L136 | L136-P163 HydrophobicContact CB-CG 4.04Å; L136-P163 HydrophobicContact CD1-CG 4.08Å; L136-P163 PolarHBondContact N-O 3.4Å; L136-P163 VanDerWaalsContact N-O 3.08Å |
| 164 | P | 75 | Confident | 70 | Confident | 73 Ų | 73 | 90.1 Ų | 90.1 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 157.2 | 171.9 | 27.2 | -33.4 | 0 | 0 | 0 | 110.9 | A183 P185 | P164-A183 WeakPolarHBondContact CB-O 3.19Å; P164-P185 HydrophobicContact CB-CG 4.26Å |
| 165 | A | 68.7 | Low | 68.1 | Low | 7 Ų | 7 | 90.8 Ų | 90.8 | 6% | 0.058 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 137 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | N133 R134 A183 | N133-A165 HydrophobicContact CB-CB 3.73Å; R134-A165 WeakPolarHBondContact O-CB 3.24Å; A165-A183 HydrophobicContact CB-CB 3.53Å |
| 166 | P | 65.7 | Low | 66.4 | Low | 89 Ų | 89 | 92.7 Ų | 92.7 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 143.5 | 170.6 | 27.1 | -32.7 | 0 | 0 | 0 | 109.5 | S168 | P166-S168 PolarHBondContact O-N 2.93Š|
| 167 | P | 63.7 | Low | 64.7 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 135.4 | 176.2 | 24.3 | -32.8 | 0 | 0 | 0 | 109.8 | P169 | P167-P169 VanDerWaalsContact O-CD 3.3Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å |
| 168 | S | 58.4 | Low | 63 | Low | 48 Ų | 48 | 99.1 Ų | 99.1 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 119.1 | -177.7 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | N133 P166 H170 | N133-S168 PolarHBondContact ND2-OG 3.41Å; P166-S168 PolarHBondContact O-N 2.93Å; S168-H170 PolarHBondContact O-N 2.94Å |
| 169 | P | 54.6 | Low | 61.3 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 75% | 0.747 | 52% | 0.517 | S | S | * | . | trans | -79.1 | 8.1 | -177.5 | 29.2 | -32.2 | 0 | 0 | 0 | 114.7 | P167 | P167-P169 VanDerWaalsContact O-CD 3.3Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å | ||
| 170 | H | 49.2 | Very low | 60.1 | Low | 145 Ų | 145 | 100.8 Ų | 100.8 | 67% | 0.671 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -115.7 | 24.7 | -157.8 | -85.3 | -54.3 | 0 | 0 | 0 | 118.5 | S168 | S168-H170 PolarHBondContact O-N 2.94Š|
| 171 | L | 47.3 | Very low | 58.7 | Low | 120 Ų | 120 | 93.6 Ų | 93.6 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -130.9 | 3.4 | 172.8 | -77.7 | 179.9 | 0 | 0 | 0 | 117.8 | ||
| 172 | L | 44.3 | Very low | 57.5 | Low | 72 Ų | 72 | 93.4 Ų | 93.4 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | trans | -136.9 | 66.5 | -166.4 | -57.9 | 163.2 | 0 | 0 | 0 | 113.2 | F175 | L172-F175 WeakPolarHBondContact CD1-O 3.24Å; L172-F175 HydrophobicContact CD2-CB 3.38Å; L172-F175 WeakPolarHBondContact CD2-O 3.5Å; L172-F175 WeakPolarHBondContact CG-O 3.38Å | ||
| 173 | Q | 47.7 | Very low | 56.9 | Low | 203 Ų | 203 | 93.5 Ų | 93.5 | 95% | 0.949 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.5 | -13.8 | 146.8 | -77 | -173.6 | 2.4 | 0 | 0 | 111.3 | ||
| 174 | T | 51.7 | Low | 56.6 | Low | 108 Ų | 108 | 93.2 Ų | 93.2 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -122.6 | -12.8 | -173.5 | 43.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 175 | F | 46.8 | Very low | 56.7 | Low | 117 Ų | 117 | 92 Ų | 92 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | trans | -153.2 | 68 | 179.7 | -74.7 | -80.2 | 0 | 0 | 0 | 115.6 | L172 E177 Q178 | L172-F175 WeakPolarHBondContact CD1-O 3.24Å; L172-F175 HydrophobicContact CD2-CB 3.38Å; L172-F175 WeakPolarHBondContact CD2-O 3.5Å; L172-F175 WeakPolarHBondContact CG-O 3.38Å; F175-E177 PolarHBondContact O-N 2.96Å; F175-Q178 VanDerWaalsContact CD1-NE2 3.33Å | ||
| 176 | P | 49.4 | Very low | 57.2 | Low | 114 Ų | 114 | 91.7 Ų | 91.7 | 74% | 0.74 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 4.6 | -171.5 | 20.8 | -32.5 | 0 | 0 | 0 | 119.4 | ||
| 177 | E | 48.8 | Very low | 58.1 | Low | 177 Ų | 177 | 92.1 Ų | 92.1 | 83% | 0.827 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 1.6 | -171.2 | -61 | -157.4 | 135.6 | 0 | 0 | 116.7 | F175 | F175-E177 PolarHBondContact O-N 2.96Š|
| 178 | Q | 51.5 | Low | 59.1 | Low | 97 Ų | 97 | 90.1 Ų | 90.1 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -109.6 | -1.7 | -158.7 | -73.9 | 167.5 | 17.5 | 0 | 0 | 119.1 | F175 H314 | F175-Q178 VanDerWaalsContact CD1-NE2 3.33Å; Q178-H314 WeakPolarHBondContact O-CB 3.16Å |
| 179 | C | 51.4 | Low | 60.1 | Low | 37 Ų | 37 | 88 Ų | 88 | 25% | 0.25 | 47% | 0.473 | C | S | . | . | trans | -149.1 | 76.7 | 172.1 | -78.6 | 0 | 0 | 0 | 0 | 111.6 | C130 C181 | C130-C179 HydrophobicContact CB-CB 4.26Å; C130-C179 WeakPolarHBondContact CB-SG 3.35Å; C130-C179 WeakPolarHBondContact SG-CB 3.08Å; C130-C179 CovalentContact SG-SG 2.1Å; C130-C179 PolarHBondContact SG-SG 3.22Å; C179-C181 PolarHBondContact O-N 2.87Å | ||
| 180 | P | 54.5 | Low | 61.6 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | trans | -68.8 | 83.1 | 160 | 29.2 | -29.9 | 0 | 0 | 0 | 107.9 | E182 | P180-E182 PolarHBondContact O-N 2.84Š| ||
| 181 | C | 57.6 | Low | 63.2 | Low | 7 Ų | 7 | 83.6 Ų | 83.6 | 5% | 0.047 | 45% | 0.452 | C | S | . | . | trans | -80 | 68.3 | 175.1 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | C132 C179 A183 | C132-C181 HydrophobicContact CB-CB 3.91Å; C132-C181 WeakPolarHBondContact SG-CB 3.09Å; C179-C181 PolarHBondContact O-N 2.87Å; C181-A183 PolarHBondContact O-N 3.29Å | ||
| 182 | E | 62.1 | Low | 64.8 | Low | 167 Ų | 167 | 78.1 Ų | 78.1 | 78% | 0.78 | 43% | 0.425 | S | S | * | . | trans | -75.1 | 107.8 | 169.4 | -72.6 | -175.8 | 164.3 | 0 | 0 | 108.5 | P180 | P180-E182 PolarHBondContact O-N 2.84Š| ||
| 183 | A | 66.5 | Low | 66.7 | Low | 3 Ų | 3 | 80.8 Ų | 80.8 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 140.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | N133 P164 A165 C181 | N133-A183 WeakPolarHBondContact O-CB 3.33Å; P164-A183 WeakPolarHBondContact CB-O 3.19Å; A165-A183 HydrophobicContact CB-CB 3.53Å; C181-A183 PolarHBondContact O-N 3.29Å |
| 184 | P | 73.5 | Confident | 68.4 | Low | 66 Ų | 66 | 77.8 Ų | 77.8 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.3 | 174.8 | 23.9 | -32.6 | 0 | 0 | 0 | 109.9 | ||
| 185 | P | 78.1 | Confident | 69.7 | Low | 48 Ų | 48 | 72.8 Ų | 72.8 | 31% | 0.312 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 150.3 | 175.8 | -12 | 22.4 | 0 | 0 | 0 | 110.8 | R161 G162 P164 | R161-P185 HydrophobicContact CG-CB 4.02Å; G162-P185 WeakPolarHBondContact O-CB 3.35Å; P164-P185 HydrophobicContact CB-CG 4.26Å |
| 186 | G | 78.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 158.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L136 R161 G162 A305 | L136-G186 WeakPolarHBondContact O-CA 3.35Å; L136-G186 PolarHBondContact O-N 2.88Å; R161-G186 WeakPolarHBondContact CG-O 3.25Å; G162-G186 PolarHBondContact N-O 3.38Å; G162-G186 VanDerWaalsContact N-O 3.17Å; G162-G186 PolarHBondContact O-N 3.4Å; G186-A305 WeakPolarHBondContact CA-O 3.29Å |
| 187 | D | 84.4 | Confident | 73 | Confident | 97 Ų | 97 | 70.2 Ų | 70.2 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 151.7 | 179.9 | -71.1 | -31.8 | 0 | 0 | 0 | 110.8 | G138 A305 | G138-D187 WeakPolarHBondContact CA-O 3.44Å; G138-D187 PolarHBondContact N-O 3.39Å; G138-D187 VanDerWaalsContact N-O 3.12Å; D187-A305 HydrophobicContact CB-CB 4.32Å; D187-A305 PolarHBondContact N-O 3.31Å |
| 188 | P | 84.5 | Confident | 74.2 | Confident | 55 Ų | 55 | 62 Ų | 62 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 147 | 168.3 | -25.8 | 36.2 | 0 | 0 | 0 | 112.1 | G159 R161 G304 | G159-P188 WeakPolarHBondContact O-CB 3.39Å; R161-P188 HydrophobicContact CB-CG 4.37Å; P188-G304 WeakPolarHBondContact O-CA 3.21Å |
| 189 | G | 79.8 | Confident | 75.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P139 G159 D302 | P139-G189 WeakPolarHBondContact O-CA 3.37Å; G159-G189 PolarHBondContact N-O 3.45Å; G189-D302 WeakPolarHBondContact CA-O 3.34Å |
| 190 | L | 84.5 | Confident | 76.5 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 148.4 | 173.9 | -66.3 | -176.1 | 0 | 0 | 0 | 109.9 | G141 G301 D302 | G141-L190 VanDerWaalsContact CA-O 3.24Å; G141-L190 WeakPolarHBondContact CA-O 3.36Å; G141-L190 PolarHBondContact N-O 2.88Å; G141-L190 VanDerWaalsContact N-O 3.08Å; L190-G301 WeakPolarHBondContact O-CA 3.48Å; L190-D302 HydrophobicContact CD1-CB 4.2Å; L190-D302 PolarHBondContact N-O 3.3Å |
| 191 | P | 84.1 | Confident | 77.5 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145.9 | 171.7 | -18.6 | 30 | 0 | 0 | 0 | 111.3 | G156 P158 | G156-P191 WeakPolarHBondContact O-CB 3.11Å; P158-P191 HydrophobicContact CB-CG 4.13Å; P158-P191 HydrophobicContact CG-CG 3.95Å |
| 192 | G | 79.9 | Confident | 78.5 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 157.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q142 G156 D299 | Q142-G192 WeakPolarHBondContact O-CA 3.27Å; Q142-G192 PolarHBondContact O-N 3.16Å; G156-G192 WeakPolarHBondContact CA-O 3.27Å; G156-G192 PolarHBondContact N-O 2.62Å; G156-G192 VanDerWaalsContact N-O 3.15Å; G192-D299 CarbonylContact C-O 3.6Å; G192-D299 WeakPolarHBondContact CA-O 3.24Å |
| 193 | E | 84.1 | Confident | 79.3 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 153.4 | 175.9 | -65.6 | -158.9 | 140.3 | 0 | 0 | 110.7 | G144 D299 | G144-E193 VanDerWaalsContact CA-O 3.23Å; G144-E193 WeakPolarHBondContact CA-O 3Å; G144-E193 PolarHBondContact N-O 2.96Å; E193-D299 PolarHBondContact N-O 3.22Å |
| 194 | R | 84.1 | Confident | 79.8 | Confident | 141 Ų | 141 | 68 Ų | 68 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -63 | 139.9 | 174.4 | -176.3 | -167.3 | -74.3 | -108.9 | 3.8 | 109.7 | G153 | G153-R194 WeakPolarHBondContact O-CD 3.28Å; G153-R194 VanDerWaalsContact O-CG 3.24Å; G153-R194 WeakPolarHBondContact O-CG 3.37Å; G153-R194 PolarHBondContact O-NH1 2.91Å |
| 195 | G | 78.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 146.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L154 M296 | L154-G195 PolarHBondContact O-N 3.5Å; G195-M296 CarbonylContact C-O 3.52Å; G195-M296 WeakPolarHBondContact CA-O 3.29Å |
| 196 | V | 82.8 | Confident | 80.4 | Confident | 91 Ų | 91 | 74 Ų | 74 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 141.2 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 109 | G147 G295 M296 | G147-V196 PolarHBondContact N-O 2.69Å; G147-V196 VanDerWaalsContact N-O 3.16Å; V196-G295 WeakPolarHBondContact O-CA 3.49Å; V196-M296 HydrophobicContact CB-CB 4.44Å; V196-M296 PolarHBondContact N-O 2.88Å |
| 197 | D | 83.4 | Confident | 80.3 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 135.1 | 178.6 | -62.6 | -9.5 | 0 | 0 | 0 | 110.5 | P152 G153 | P152-D197 WeakPolarHBondContact CA-OD1 3.49Å; P152-D197 WeakPolarHBondContact CB-OD1 3.35Å; G153-D197 PolarHBondContact N-OD1 3.3Å |
| 198 | G | 73.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 146.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M293 | G198-M293 WeakPolarHBondContact CA-O 3.28Š|
| 199 | P | 76.5 | Confident | 80 | Confident | 71 Ų | 71 | 83.3 Ų | 83.3 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 146.5 | 173.6 | 25.6 | -34.8 | 0 | 0 | 0 | 110.8 | M293 | P199-M293 WeakPolarHBondContact CD-O 3.28Å; P199-M293 HydrophobicContact CG-CB 4.19Å |
| 200 | P | 75.5 | Confident | 79.6 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 66% | 0.662 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 146.9 | 170.5 | -23.7 | 33.8 | 0 | 0 | 0 | 111 | ||
| 201 | G | 74.7 | Confident | 79.3 | Confident | 32 Ų | 32 | 88.4 Ų | 88.4 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 156.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A290 | G201-A290 CarbonylContact C-O 3.58Å; G201-A290 WeakPolarHBondContact CA-O 3.48Å |
| 202 | D | 79 | Confident | 78.9 | Confident | 123 Ų | 123 | 92.8 Ų | 92.8 | 66% | 0.658 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 145.3 | 176.7 | -71.3 | -33.9 | 0 | 0 | 0 | 110.2 | G289 A290 | D202-G289 WeakPolarHBondContact O-CA 3.36Å; D202-A290 HydrophobicContact CB-CB 4.39Å; D202-A290 PolarHBondContact N-O 3.24Å |
| 203 | M | 78.4 | Confident | 78.3 | Confident | 177 Ų | 177 | 94.3 Ų | 94.3 | 87% | 0.872 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -65 | 138.3 | 173.6 | -174.4 | 172 | 57.5 | 0 | 0 | 110.1 | ||
| 204 | G | 77.1 | Confident | 77.7 | Confident | 29 Ų | 29 | 94.9 Ų | 94.9 | 30% | 0.299 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 151.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M287 | G204-M287 VanDerWaalsContact CA-O 3.26Å; G204-M287 WeakPolarHBondContact CA-O 3.31Å |
| 205 | L | 82.5 | Confident | 77 | Confident | 123 Ų | 123 | 97.3 Ų | 97.3 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 139.3 | 176.3 | -67.2 | 175 | 0 | 0 | 0 | 109.9 | G286 M287 | L205-G286 WeakPolarHBondContact O-CA 3.45Å; L205-M287 PolarHBondContact N-O 2.93Å |
| 206 | P | 81 | Confident | 76.1 | Confident | 118 Ų | 118 | 98 Ų | 98 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 147.8 | 171.8 | -24.8 | 34 | 0 | 0 | 0 | 111.8 | ||
| 207 | G | 77.4 | Confident | 75.5 | Confident | 39 Ų | 39 | 99.1 Ų | 99.1 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 156.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E284 | G207-E284 WeakPolarHBondContact CA-O 3.47Š|
| 208 | K | 82.3 | Confident | 74.8 | Confident | 150 Ų | 150 | 105.3 Ų | 105.3 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145.1 | 172.4 | -65.4 | 174.5 | -173.9 | 159.4 | 0 | 108.9 | G283 E284 | K208-G283 VanDerWaalsContact O-CA 3.28Å; K208-G283 WeakPolarHBondContact O-CA 3.32Å; K208-E284 PolarHBondContact N-O 3.01Å; K208-E284 IonicContact NZ-OE2 2.69Å |
| 209 | D | 79.8 | Confident | 74.2 | Confident | 157 Ų | 157 | 106 Ų | 106 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.6 | 172.2 | -65.5 | -35.1 | 0 | 0 | 0 | 110.8 | ||
| 210 | G | 73.4 | Confident | 73.6 | Confident | 41 Ų | 41 | 108.2 Ų | 108.2 | 42% | 0.423 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 151.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 211 | K | 77.5 | Confident | 73.2 | Confident | 171 Ų | 171 | 109.6 Ų | 109.6 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 143.1 | 173.6 | -66.8 | -179.9 | 178 | 177.1 | 0 | 109.6 | G280 | K211-G280 WeakPolarHBondContact O-CA 3.44Š|
| 212 | D | 75.8 | Confident | 72.1 | Confident | 159 Ų | 159 | 110 Ų | 110 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.5 | 169.4 | -69.1 | -30.3 | 0 | 0 | 0 | 110.3 | ||
| 213 | G | 66.1 | Low | 71.3 | Confident | 38 Ų | 38 | 108.2 Ų | 108.2 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 145.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P278 | G213-P278 WeakPolarHBondContact CA-O 3.41Š|
| 214 | D | 72.5 | Confident | 70.4 | Confident | 138 Ų | 138 | 105.8 Ų | 105.8 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148 | 177 | -67.5 | -40.5 | 0 | 0 | 0 | 111.2 | G216 G277 | D214-G216 PolarHBondContact O-N 3.25Å; D214-G277 VanDerWaalsContact O-CA 3.23Å; D214-G277 WeakPolarHBondContact O-CA 3.22Å; D214-G277 PolarHBondContact O-N 2.86Å |
| 215 | Q | 69.6 | Low | 69.1 | Low | 192 Ų | 192 | 106.9 Ų | 106.9 | 90% | 0.897 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.7 | 171.8 | -171.8 | 176 | 0.1 | 0 | 0 | 109.7 | ||
| 216 | G | 60.4 | Low | 67.9 | Low | 16 Ų | 16 | 108.8 Ų | 108.8 | 17% | 0.165 | 64% | 0.638 | C | S | . | * | P | Polyproline II helix | trans | -62.3 | 158.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D214 L275 | D214-G216 PolarHBondContact O-N 3.25Å; G216-L275 WeakPolarHBondContact CA-O 3.35Å |
| 217 | P | 69.4 | Low | 66.7 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 148.9 | -178.7 | 27.1 | -34.6 | 0 | 0 | 0 | 111.9 | G219 G274 | P217-G219 PolarHBondContact O-N 2.91Å; P217-G274 WeakPolarHBondContact O-CA 3.36Å |
| 218 | R | 69.6 | Low | 65.3 | Low | 217 Ų | 217 | 108.3 Ų | 108.3 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.4 | 171.4 | -177.6 | 179.9 | 167.7 | 173.1 | -6.1 | 109.7 | D221 | R218-D221 IonicContact NH2-OD1 3.5Š|
| 219 | G | 59.5 | Low | 64 | Low | 18 Ų | 18 | 109.4 Ų | 109.4 | 19% | 0.186 | 66% | 0.658 | C | S | . | * | P | Polyproline II helix | trans | -59.8 | 157.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P217 | P217-G219 PolarHBondContact O-N 2.91Š|
| 220 | P | 65 | Low | 62.8 | Low | 117 Ų | 117 | 111.3 Ų | 111.3 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.4 | 179.1 | 27.4 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 221 | D | 66.7 | Low | 61.6 | Low | 131 Ų | 131 | 112 Ų | 112 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 145.3 | 174 | -69.7 | -28.9 | 0 | 0 | 0 | 111.1 | R218 | R218-D221 IonicContact NH2-OD1 3.5Š|
| 222 | G | 52.4 | Low | 60.8 | Low | 41 Ų | 41 | 110.1 Ų | 110.1 | 42% | 0.423 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 147.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 223 | A | 60.2 | Low | 59.9 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 224 | P | 60.9 | Low | 59.1 | Low | 127 Ų | 127 | 113.7 Ų | 113.7 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.3 | 174.6 | -24 | 33.4 | 0 | 0 | 0 | 112.3 | ||
| 225 | G | 50.2 | Low | 58.3 | Low | 51 Ų | 51 | 111.7 Ų | 111.7 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 146.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 226 | I | 57.4 | Low | 57.9 | Low | 163 Ų | 163 | 108.7 Ų | 108.7 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.3 | 179.3 | -43.6 | 173.4 | 0 | 0 | 0 | 109.2 | G228 | I226-G228 PolarHBondContact O-N 3.46Š|
| 227 | A | 55.1 | Low | 57.3 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 228 | G | 47.6 | Very low | 56.7 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I226 | I226-G228 PolarHBondContact O-N 3.46Š|
| 229 | L | 55.9 | Low | 56.1 | Low | 172 Ų | 172 | 107.8 Ų | 107.8 | 90% | 0.901 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 140.8 | 176.8 | -67.9 | 168.5 | 0 | 0 | 0 | 111.2 | G231 | L229-G231 PolarHBondContact O-N 3.33Š|
| 230 | Q | 53.9 | Low | 55.7 | Low | 197 Ų | 197 | 110.5 Ų | 110.5 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.3 | 174.4 | -174.4 | 173.9 | 58.5 | 0 | 0 | 110.2 | ||
| 231 | G | 48.9 | Very low | 55.1 | Low | 56 Ų | 56 | 114.9 Ų | 114.9 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 155.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L229 | L229-G231 PolarHBondContact O-N 3.33Š|
| 232 | P | 59.6 | Low | 54.2 | Low | 132 Ų | 132 | 118 Ų | 118 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 146.6 | -178.6 | 26.3 | -34 | 0 | 0 | 0 | 112.3 | G234 | P232-G234 PolarHBondContact O-N 3.13Š|
| 233 | K | 57.2 | Low | 53.9 | Low | 207 Ų | 207 | 122.5 Ų | 122.5 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.7 | 174.5 | -175.5 | 176.9 | 179.6 | 177.7 | 0 | 110.1 | ||
| 234 | G | 49.9 | Very low | 53.1 | Low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P232 | P232-G234 PolarHBondContact O-N 3.13Š|
| 235 | A | 56.1 | Low | 52.5 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 236 | P | 59.6 | Low | 52.2 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 140.2 | 173.4 | -22.4 | 33.2 | 0 | 0 | 0 | 112.4 | ||
| 237 | G | 48.4 | Very low | 51.9 | Low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 238 | V | 57.1 | Low | 51.8 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.2 | -176.5 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | G240 | V238-G240 PolarHBondContact O-N 2.79Š|
| 239 | P | 57.8 | Low | 52.2 | Low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.5 | 174.4 | -21.1 | 32.6 | 0 | 0 | 0 | 112.1 | ||
| 240 | G | 51 | Low | 52.1 | Low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V238 | V238-G240 PolarHBondContact O-N 2.79Š|
| 241 | K | 51.7 | Low | 52.2 | Low | 210 Ų | 210 | 126 Ų | 126 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.9 | 178.8 | -78.3 | -179.3 | 173.5 | -175.4 | 0 | 111.9 | ||
| 242 | Q | 46.7 | Very low | 52.8 | Low | 197 Ų | 197 | 129.3 Ų | 129.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.3 | 171.8 | -74.7 | 170.9 | -56.6 | 0 | 0 | 111.3 | ||
| 243 | V | 46.3 | Very low | 52.6 | Low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -131.6 | 131.3 | 157.9 | -176 | 0 | 0 | 0 | 0 | 108.8 | K245 | V243-K245 PolarHBondContact O-N 3.15Š| ||
| 244 | S | 44.7 | Very low | 52.5 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -63.4 | 106.7 | -169.4 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 245 | K | 48.5 | Very low | 52.8 | Low | 205 Ų | 205 | 124 Ų | 124 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -171.8 | 125.6 | 135.4 | -103.7 | 172.6 | -177.2 | -178.4 | 0 | 107.5 | V243 G247 | V243-K245 PolarHBondContact O-N 3.15Å; K245-G247 PolarHBondContact O-N 3.06Å; K245-G247 VanDerWaalsContact O-N 3.11Å |
| 246 | Q | 42.2 | Very low | 52.6 | Low | 212 Ų | 212 | 122.9 Ų | 122.9 | 99% | 0.991 | 80% | 0.797 | S | S | * | * | trans | -49.2 | 110.6 | -172.4 | -114.5 | 169.1 | -12.2 | 0 | 0 | 112.5 | ||||
| 247 | G | 51.7 | Low | 52.1 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 80% | 0.795 | S | S | * | * | trans | -125 | 156.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K245 | K245-G247 PolarHBondContact O-N 3.06Å; K245-G247 VanDerWaalsContact O-N 3.11Å | ||
| 248 | P | 53.2 | Low | 52.5 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 150.3 | -178.9 | 23.8 | -33 | 0 | 0 | 0 | 111.2 | G250 | P248-G250 PolarHBondContact O-N 3.41Š|
| 249 | P | 56.5 | Low | 52.1 | Low | 128 Ų | 128 | 120.3 Ų | 120.3 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 130.1 | 176.3 | -25.9 | 33.6 | 0 | 0 | 0 | 110.7 | ||
| 250 | G | 54.2 | Low | 51.9 | Low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 146.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | P248 | P248-G250 PolarHBondContact O-N 3.41Š|
| 251 | P | 55.2 | Low | 52.2 | Low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 150.4 | 177.3 | 24.5 | -33.2 | 0 | 0 | 0 | 110.5 | G253 | P251-G253 PolarHBondContact O-N 3.46Š|
| 252 | P | 62.1 | Low | 52.1 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 137.7 | 172.3 | -26.3 | 34 | 0 | 0 | 0 | 110.8 | ||
| 253 | G | 54.1 | Low | 52.5 | Low | 64 Ų | 64 | 116.7 Ų | 116.7 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 148.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P251 A255 | P251-G253 PolarHBondContact O-N 3.46Å; G253-A255 PolarHBondContact O-N 3.31Å |
| 254 | P | 55.2 | Low | 52.9 | Low | 129 Ų | 129 | 118.7 Ų | 118.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142.6 | 179.7 | 24.2 | -33 | 0 | 0 | 0 | 110.3 | G256 | P254-G256 PolarHBondContact O-N 3.35Š|
| 255 | A | 57.3 | Low | 53.1 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G253 A257 | G253-A255 PolarHBondContact O-N 3.31Å; A255-A257 PolarHBondContact O-N 3.06Å |
| 256 | G | 50.8 | Low | 53.6 | Low | 72 Ų | 72 | 114.1 Ų | 114.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P254 | P254-G256 PolarHBondContact O-N 3.35Š|
| 257 | A | 50.5 | Low | 54.5 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 136.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A255 G259 | A255-A257 PolarHBondContact O-N 3.06Å; A257-G259 PolarHBondContact O-N 3.27Å |
| 258 | P | 55.3 | Low | 54.6 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 140.2 | 171.5 | -25.4 | 33.8 | 0 | 0 | 0 | 110.4 | K260 | P258-K260 PolarHBondContact O-N 3.4Š|
| 259 | G | 49.6 | Very low | 55 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54 | 141.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A257 | A257-G259 PolarHBondContact O-N 3.27Š|
| 260 | K | 54 | Low | 55.4 | Low | 202 Ų | 202 | 109.7 Ų | 109.7 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.6 | 175.1 | -68.5 | -175 | 177.5 | -177.1 | 0 | 108.9 | P258 G262 | P258-K260 PolarHBondContact O-N 3.4Å; K260-G262 PolarHBondContact O-N 3.48Å |
| 261 | P | 55.6 | Low | 55.5 | Low | 125 Ų | 125 | 108.7 Ų | 108.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 140.2 | 171 | -25.1 | 33.6 | 0 | 0 | 0 | 110.2 | ||
| 262 | G | 50.5 | Low | 56 | Low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 146.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K260 M264 | K260-G262 PolarHBondContact O-N 3.48Å; G262-M264 PolarHBondContact O-N 3.43Å |
| 263 | T | 55.3 | Low | 56.3 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136 | 174.1 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | G265 | T263-G265 PolarHBondContact O-N 3.1Š|
| 264 | M | 53.7 | Low | 56.6 | Low | 176 Ų | 176 | 112.4 Ų | 112.4 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.4 | 171 | -173.7 | 168.6 | 70.1 | 0 | 0 | 108.9 | G262 | G262-M264 PolarHBondContact O-N 3.43Š|
| 265 | G | 50.4 | Low | 57.3 | Low | 41 Ų | 41 | 113.3 Ų | 113.3 | 42% | 0.423 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 147.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | T263 | T263-G265 PolarHBondContact O-N 3.1Š|
| 266 | Q | 57.8 | Low | 57.9 | Low | 180 Ų | 180 | 114.4 Ų | 114.4 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 143.6 | 174.8 | -68 | -174.8 | 3.6 | 0 | 0 | 109.8 | G268 | Q266-G268 PolarHBondContact O-N 2.98Š|
| 267 | P | 60.9 | Low | 58.7 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -51 | 141.4 | 169.4 | -24.4 | 33.8 | 0 | 0 | 0 | 110.3 | ||
| 268 | G | 53.9 | Low | 60 | Low | 44 Ų | 44 | 112.7 Ų | 112.7 | 45% | 0.454 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -57 | 148 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q266 | Q266-G268 PolarHBondContact O-N 2.98Š|
| 269 | S | 61.2 | Low | 61.1 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.8 | 173.1 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | G271 | S269-G271 PolarHBondContact O-N 3.3Š|
| 270 | D | 65.4 | Low | 62.3 | Low | 159 Ų | 159 | 112.4 Ų | 112.4 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 137.2 | 171.7 | -67.1 | -33.6 | 0 | 0 | 0 | 110.1 | K272 | D270-K272 PolarHBondContact O-N 3.05Š|
| 271 | G | 56.2 | Low | 63.6 | Low | 42 Ų | 42 | 107.1 Ų | 107.1 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 140.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S269 | S269-G271 PolarHBondContact O-N 3.3Š|
| 272 | K | 65.9 | Low | 64.8 | Low | 190 Ų | 190 | 107 Ų | 107 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.6 | 175.4 | -63.9 | -178.5 | 178.7 | 177.9 | 0 | 109.8 | D270 G274 | D270-K272 PolarHBondContact O-N 3.05Å; K272-G274 PolarHBondContact O-N 3.46Å |
| 273 | D | 68.9 | Low | 66.1 | Low | 161 Ų | 161 | 105.4 Ų | 105.4 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 136.1 | 170.4 | -69.1 | -31.6 | 0 | 0 | 0 | 109.8 | ||
| 274 | G | 60.1 | Low | 67.5 | Low | 34 Ų | 34 | 105.5 Ų | 105.5 | 35% | 0.351 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 145.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P217 K272 | P217-G274 WeakPolarHBondContact O-CA 3.36Å; K272-G274 PolarHBondContact O-N 3.46Å |
| 275 | L | 69 | Low | 68.9 | Low | 148 Ų | 148 | 103 Ų | 103 | 78% | 0.775 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -58 | 146.4 | 173.3 | -65.1 | 174 | 0 | 0 | 0 | 109.6 | G216 G277 | G216-L275 WeakPolarHBondContact CA-O 3.35Å; L275-G277 PolarHBondContact O-N 3.4Å |
| 276 | P | 70.3 | Confident | 70.2 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 79% | 0.792 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 135.8 | 169.2 | -25.2 | 34 | 0 | 0 | 0 | 109.8 | ||
| 277 | G | 68.3 | Low | 71.4 | Confident | 20 Ų | 20 | 100.8 Ų | 100.8 | 21% | 0.206 | 62% | 0.622 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 170.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D214 L275 | D214-G277 VanDerWaalsContact O-CA 3.23Å; D214-G277 WeakPolarHBondContact O-CA 3.22Å; D214-G277 PolarHBondContact O-N 2.86Å; L275-G277 PolarHBondContact O-N 3.4Å |
| 278 | P | 77 | Confident | 72.4 | Confident | 110 Ų | 110 | 101 Ų | 101 | 71% | 0.714 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.3 | 176.6 | 27.5 | -34.1 | 0 | 0 | 0 | 110.5 | G213 G280 | G213-P278 WeakPolarHBondContact CA-O 3.41Å; P278-G280 PolarHBondContact O-N 2.8Å |
| 279 | N | 78.5 | Confident | 73.5 | Confident | 162 Ų | 162 | 100.6 Ų | 100.6 | 87% | 0.866 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.2 | 170.1 | -72.6 | -9.8 | 0 | 0 | 0 | 109.6 | ||
| 280 | G | 74.9 | Confident | 74.4 | Confident | 25 Ų | 25 | 98.5 Ų | 98.5 | 26% | 0.258 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 163.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | K211 P278 | K211-G280 WeakPolarHBondContact O-CA 3.44Å; P278-G280 PolarHBondContact O-N 2.8Å |
| 281 | P | 81.3 | Confident | 75 | Confident | 92 Ų | 92 | 96.2 Ų | 96.2 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.8 | 179.2 | 26.7 | -34.2 | 0 | 0 | 0 | 111 | ||
| 282 | P | 80.9 | Confident | 75.9 | Confident | 123 Ų | 123 | 94.7 Ų | 94.7 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 146 | 171.1 | -24.2 | 33.6 | 0 | 0 | 0 | 111.4 | ||
| 283 | G | 77.8 | Confident | 76.4 | Confident | 31 Ų | 31 | 92.7 Ų | 92.7 | 32% | 0.32 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 156.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K208 | K208-G283 VanDerWaalsContact O-CA 3.28Å; K208-G283 WeakPolarHBondContact O-CA 3.32Å |
| 284 | E | 84.6 | Confident | 76.9 | Confident | 133 Ų | 133 | 89.3 Ų | 89.3 | 62% | 0.621 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.3 | 175 | -65.3 | -175.9 | 133.2 | 0 | 0 | 110.3 | G207 K208 | G207-E284 WeakPolarHBondContact CA-O 3.47Å; K208-E284 PolarHBondContact N-O 3.01Å; K208-E284 IonicContact NZ-OE2 2.69Å |
| 285 | P | 83 | Confident | 77.8 | Confident | 124 Ų | 124 | 88.5 Ų | 88.5 | 81% | 0.805 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 146 | 172.8 | -25.1 | 34 | 0 | 0 | 0 | 111.9 | ||
| 286 | G | 78.6 | Confident | 78.4 | Confident | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 155.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L205 | L205-G286 WeakPolarHBondContact O-CA 3.45Š|
| 287 | M | 83.7 | Confident | 79 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 68% | 0.68 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 137.8 | 173.8 | -67.2 | -174.4 | 72.3 | 0 | 0 | 110 | G204 L205 | G204-M287 VanDerWaalsContact CA-O 3.26Å; G204-M287 WeakPolarHBondContact CA-O 3.31Å; L205-M287 PolarHBondContact N-O 2.93Å |
| 288 | P | 82 | Confident | 79.6 | Confident | 124 Ų | 124 | 86 Ų | 86 | 81% | 0.805 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 148 | 171.1 | -23.8 | 33.5 | 0 | 0 | 0 | 111.5 | ||
| 289 | G | 76.6 | Confident | 79.8 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 158.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D202 | D202-G289 WeakPolarHBondContact O-CA 3.36Š|
| 290 | A | 80.3 | Confident | 79.9 | Confident | 59 Ų | 59 | 82 Ų | 82 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 137.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G201 D202 G292 | G201-A290 CarbonylContact C-O 3.58Å; G201-A290 WeakPolarHBondContact CA-O 3.48Å; D202-A290 HydrophobicContact CB-CB 4.39Å; D202-A290 PolarHBondContact N-O 3.24Å; A290-G292 PolarHBondContact O-N 2.92Å |
| 291 | T | 78 | Confident | 80.1 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 68% | 0.681 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -53 | 128.7 | 168.2 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | D149 | D149-T291 VanDerWaalsContact CG-CG2 3.44Å; D149-T291 VanDerWaalsContact OD1-CA 3.29Å; D149-T291 WeakPolarHBondContact OD1-CA 3.4Å; D149-T291 WeakPolarHBondContact OD1-CG2 3.35Å; D149-T291 VanDerWaalsContact OD2-CG2 3.24Å; D149-T291 WeakPolarHBondContact OD2-CG2 3.15Å |
| 292 | G | 73.4 | Confident | 80.1 | Confident | 10 Ų | 10 | 82.1 Ų | 82.1 | 10% | 0.103 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D149 A290 | D149-G292 PolarHBondContact OD1-N 3.49Å; A290-G292 PolarHBondContact O-N 2.92Å |
| 293 | M | 77.1 | Confident | 80 | Confident | 148 Ų | 148 | 79.9 Ų | 79.9 | 73% | 0.729 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 144 | 176.5 | -62.4 | -176.4 | 75.4 | 0 | 0 | 110.2 | G198 P199 | G198-M293 WeakPolarHBondContact CA-O 3.28Å; P199-M293 WeakPolarHBondContact CD-O 3.28Å; P199-M293 HydrophobicContact CG-CB 4.19Å |
| 294 | S | 78.8 | Confident | 80.2 | Confident | 91 Ų | 91 | 78.9 Ų | 78.9 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 140.3 | 169.4 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | G147 | G147-S294 CarbonylContact O-C 3.53Å; G147-S294 WeakPolarHBondContact O-CA 3.24Å |
| 295 | G | 79.9 | Confident | 80.1 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 17% | 0.165 | 48% | 0.476 | C | S | . | . | trans | -68.8 | -169 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A146 G147 V196 | A146-G295 VanDerWaalsContact CB-C 3.46Å; A146-G295 WeakPolarHBondContact CB-O 3.41Å; G147-G295 PolarHBondContact O-N 3.44Å; V196-G295 WeakPolarHBondContact O-CA 3.49Å | ||
| 296 | M | 82.4 | Confident | 79.8 | Confident | 137 Ų | 137 | 72.6 Ų | 72.6 | 68% | 0.675 | 46% | 0.461 | S | S | * | . | trans | -95.6 | 141.1 | 177.3 | -64.5 | -178.3 | 69.8 | 0 | 0 | 110.5 | G195 V196 | G195-M296 CarbonylContact C-O 3.52Å; G195-M296 WeakPolarHBondContact CA-O 3.29Å; V196-M296 HydrophobicContact CB-CB 4.44Å; V196-M296 PolarHBondContact N-O 2.88Å | ||
| 297 | P | 81.6 | Confident | 79.6 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | trans | -55.4 | 151.8 | 167.2 | -22 | 33.3 | 0 | 0 | 0 | 110.5 | G144 | G144-P297 WeakPolarHBondContact O-CA 3.36Š| ||
| 298 | G | 81.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 12% | 0.124 | 44% | 0.435 | C | S | . | . | trans | -67.9 | 179.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P143 G144 | P143-G298 WeakPolarHBondContact CB-O 3.26Å; G144-G298 PolarHBondContact O-N 2.85Å | ||
| 299 | D | 81.4 | Confident | 78.4 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 149.6 | 169.9 | -77 | -36.4 | 0 | 0 | 0 | 111.3 | G192 E193 | G192-D299 CarbonylContact C-O 3.6Å; G192-D299 WeakPolarHBondContact CA-O 3.24Å; E193-D299 PolarHBondContact N-O 3.22Å |
| 300 | P | 79.6 | Confident | 77.8 | Confident | 82 Ų | 82 | 62 Ų | 62 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 148.8 | 171.7 | -15.9 | 26 | 0 | 0 | 0 | 111.4 | P143 | P143-P300 HydrophobicContact CG-CB 4.23Å; P143-P300 HydrophobicContact CG-CG 3.93Å |
| 301 | G | 80.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 11% | 0.113 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P140 G141 L190 | P140-G301 WeakPolarHBondContact CB-O 3.08Å; G141-G301 PolarHBondContact O-N 2.92Å; L190-G301 WeakPolarHBondContact O-CA 3.48Å |
| 302 | D | 81.4 | Confident | 75.7 | Confident | 108 Ų | 108 | 63 Ų | 63 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 148.4 | 173.1 | -72.4 | -42.6 | 0 | 0 | 0 | 111.8 | G189 L190 | G189-D302 WeakPolarHBondContact CA-O 3.34Å; L190-D302 HydrophobicContact CD1-CB 4.2Å; L190-D302 PolarHBondContact N-O 3.3Å |
| 303 | P | 79.5 | Confident | 74.9 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -57 | 150.2 | 169.1 | -18.6 | 29.1 | 0 | 0 | 0 | 111.9 | G138 P140 | G138-P303 WeakPolarHBondContact O-CA 3.42Å; P140-P303 HydrophobicContact CG-CB 4.47Å; P140-P303 HydrophobicContact CG-CG 3.86Å |
| 304 | G | 81.5 | Confident | 73.8 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 11% | 0.113 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 170.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P137 G138 P188 | P137-G304 VanDerWaalsContact CB-O 3.29Å; P137-G304 WeakPolarHBondContact CB-O 3.16Å; G138-G304 PolarHBondContact O-N 3.41Å; P188-G304 WeakPolarHBondContact O-CA 3.21Å |
| 305 | A | 81.4 | Confident | 72.5 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 144.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G186 D187 | G186-A305 WeakPolarHBondContact CA-O 3.29Å; D187-A305 HydrophobicContact CB-CB 4.32Å; D187-A305 PolarHBondContact N-O 3.31Å |
| 306 | P | 76.5 | Confident | 71 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 145.8 | 169.2 | -18 | 27.6 | 0 | 0 | 0 | 111 | P137 | P137-P306 HydrophobicContact CG-CB 4.2Å; P137-P306 HydrophobicContact CG-CG 3.85Å |
| 307 | G | 75 | Confident | 69.2 | Low | 7 Ų | 7 | 67.2 Ų | 67.2 | 7% | 0.072 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 157.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R134 G135 | R134-G307 WeakPolarHBondContact CB-O 3.46Å; R134-G307 WeakPolarHBondContact CD-O 3.42Å; R134-G307 WeakPolarHBondContact CG-O 3.26Å; G135-G307 PolarHBondContact O-N 3.16Å |
| 308 | G | 73.6 | Confident | 67.3 | Low | 41 Ų | 41 | 67.4 Ų | 67.4 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -54 | 159.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 309 | A | 67.1 | Low | 65.4 | Low | 55 Ų | 55 | 78.3 Ų | 78.3 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 136.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R134 | R134-A309 HydrophobicContact CG-CB 4.36Å |
| 310 | G | 63 | Low | 63.3 | Low | 7 Ų | 7 | 81.1 Ų | 81.1 | 7% | 0.072 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 141.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C132 C312 | C132-G310 WeakPolarHBondContact CB-O 3.35Å; C132-G310 PolarHBondContact SG-O 2.79Å; G310-C312 PolarHBondContact O-N 3.38Å |
| 311 | D | 57.9 | Low | 61.2 | Low | 149 Ų | 149 | 81.6 Ų | 81.6 | 80% | 0.797 | 51% | 0.506 | S | S | * | . | trans | -78.7 | 109.8 | 175.2 | -84.1 | -27.6 | 0 | 0 | 0 | 109.5 | S313 | D311-S313 VanDerWaalsContact C-N 3.34Å; D311-S313 PolarHBondContact O-N 3.5Å | ||
| 312 | C | 57.7 | Low | 58.9 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 28% | 0.284 | 54% | 0.537 | S | S | . | . | trans | -80.6 | 82.7 | 176.8 | -84.7 | 0 | 0 | 0 | 0 | 108.8 | C130 C132 G310 H314 | C130-C312 HydrophobicContact CB-CB 4.41Å; C130-C312 WeakPolarHBondContact CB-SG 3.42Å; C130-C312 PolarHBondContact O-SG 2.91Å; C132-C312 WeakPolarHBondContact CB-SG 3.26Å; C132-C312 WeakPolarHBondContact SG-CB 3.16Å; C132-C312 CovalentContact SG-SG 2.08Å; C132-C312 PolarHBondContact SG-SG 2.98Å; G310-C312 PolarHBondContact O-N 3.38Å; C312-H314 PolarHBondContact O-N 3.43Å | ||
| 313 | S | 56 | Low | 56.6 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 69% | 0.685 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.2 | -175.8 | 46.7 | 0 | 0 | 0 | 0 | 115.4 | D311 | D311-S313 VanDerWaalsContact C-N 3.34Å; D311-S313 PolarHBondContact O-N 3.5Å |
| 314 | H | 54.5 | Low | 54.4 | Low | 121 Ų | 121 | 96 Ų | 96 | 56% | 0.56 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 49.7 | -175.7 | -73.6 | 84.8 | 0 | 0 | 0 | 112.7 | Q178 C312 P316 | Q178-H314 WeakPolarHBondContact O-CB 3.16Å; C312-H314 PolarHBondContact O-N 3.43Å; H314-P316 WeakPolarHBondContact O-CD 3.5Å |
| 315 | C | 50.5 | Low | 53 | Low | 55 Ų | 55 | 100.2 Ų | 100.2 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | trans | -86.7 | 106.4 | 166.4 | -152.4 | 0 | 0 | 0 | 0 | 108.9 | C129 | C129-C315 WeakPolarHBondContact CA-SG 3.48Å; C129-C315 HydrophobicContact CB-CB 4.19Å; C129-C315 WeakPolarHBondContact CB-SG 3.43Å; C129-C315 WeakPolarHBondContact SG-CB 3.3Å; C129-C315 CovalentContact SG-SG 2.04Å; C129-C315 PolarHBondContact SG-SG 3Å | ||
| 316 | P | 48.9 | Very low | 51.5 | Low | 99 Ų | 99 | 103 Ų | 103 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | trans | -60.6 | 139.7 | 171 | 25.5 | -31.9 | 0 | 0 | 0 | 108.3 | H314 A318 | H314-P316 WeakPolarHBondContact O-CD 3.5Å; P316-A318 PolarHBondContact O-N 3.39Å | ||
| 317 | P | 44.7 | Very low | 50.1 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -55.1 | 131.1 | 175.7 | 24 | -32.3 | 0 | 0 | 0 | 107.7 | R319 | P317-R319 PolarHBondContact O-N 3.47Š| ||
| 318 | A | 41.5 | Very low | 48.7 | Very low | 95 Ų | 95 | 110.2 Ų | 110.2 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -48 | 102.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109 | P316 L320 | P316-A318 PolarHBondContact O-N 3.39Å; A318-L320 PolarHBondContact O-N 3.43Å | ||
| 319 | R | 41.5 | Very low | 47.1 | Very low | 241 Ų | 241 | 114.5 Ų | 114.5 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | trans | -66.8 | 98 | 162.2 | -83.6 | -166.8 | -175.8 | -179.6 | 3.1 | 104.3 | P317 A321 | P317-R319 PolarHBondContact O-N 3.47Å; R319-A321 VanDerWaalsContact C-N 3.26Å; R319-A321 PolarHBondContact O-N 2.75Å | ||
| 320 | L | 37.6 | Very low | 45.8 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -41.7 | 99.6 | 153.9 | -72.9 | 155.6 | 0 | 0 | 0 | 106.3 | A318 P322 | A318-L320 PolarHBondContact O-N 3.43Å; L320-P322 VanDerWaalsContact O-CD 3.26Å; L320-P322 WeakPolarHBondContact O-CD 3.27Å | ||
| 321 | A | 35 | Very low | 44.5 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -72.5 | 115.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | R319 | R319-A321 VanDerWaalsContact C-N 3.26Å; R319-A321 PolarHBondContact O-N 2.75Å | ||
| 322 | P | 33.2 | Very low | 43.5 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -68 | 141.7 | 163.5 | 6.2 | 11.2 | 0 | 0 | 0 | 107.3 | L320 | L320-P322 VanDerWaalsContact O-CD 3.26Å; L320-P322 WeakPolarHBondContact O-CD 3.27Å | ||
| 323 | G | 32.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -50.9 | 144.1 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 324 | Y | 31.9 | Very low | 41.1 | Very low | 309 Ų | 309 | 134.6 Ų | 134.6 | 100% | 1.212 | 76% | 0.758 | S | S | * | * | trans | -153.3 | 0 | 147.6 | -90 | -76.3 | 0 | 0 | 0 | 108 |
Retrieved 324 of 324 residues in 212.5 ms
(Link to these results)