| 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 | 43.8 | Very low | 42.5 | Very low | 244 Ų | 244 | 137.6 Ų | 137.6 | 100% | 1.202 | 84% | 0.842 | S | S | * | * | 0 | 117.6 | 0 | -68.9 | 175 | 170.7 | 0 | 0 | 108.7 | |||||
| 2 | P | 43.7 | Very low | 42.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -103.5 | 143.9 | 161.7 | 34.6 | -25.8 | 0 | 0 | 0 | 110.9 | ||||
| 3 | V | 44.8 | Very low | 43.5 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -82.7 | 122.7 | -179.4 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | L5 | V3-L5 HydrophobicContact CG1-CD1 4.37Å; V3-L5 PolarHBondContact O-N 3.35Å | ||
| 4 | M | 41.5 | Very low | 43.8 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -78.2 | 106.9 | 166.7 | -89.1 | -79.5 | -178.7 | 0 | 0 | 109.2 | G6 | M4-G6 PolarHBondContact O-N 3.39Š| ||
| 5 | L | 43.2 | Very low | 44 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 118.4 | 167 | -101.9 | 86 | 0 | 0 | 0 | 109.4 | V3 R7 | V3-L5 HydrophobicContact CG1-CD1 4.37Å; V3-L5 PolarHBondContact O-N 3.35Å; L5-R7 PolarHBondContact O-N 3.19Å | ||
| 6 | G | 40.7 | Very low | 44.1 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 113 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M4 G8 | M4-G6 PolarHBondContact O-N 3.39Å; G6-G8 PolarHBondContact O-N 3.17Å | ||
| 7 | R | 40.2 | Very low | 44.4 | Very low | 226 Ų | 226 | 123.6 Ų | 123.6 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -80.9 | 93.5 | 174.8 | -176.5 | 171.5 | 170.5 | 156.1 | -4 | 108.7 | L5 D9 | L5-R7 PolarHBondContact O-N 3.19Å; R7-D9 PolarHBondContact O-N 2.67Å; R7-D9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | G | 44.6 | Very low | 44.3 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -69 | 106 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G6 G10 | G6-G8 PolarHBondContact O-N 3.17Å; G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 2.72Å | ||
| 9 | D | 40.6 | Very low | 44.3 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -74.5 | 83.2 | 170.7 | -99.9 | -27.1 | 0 | 0 | 0 | 110.2 | R7 G11 | R7-D9 PolarHBondContact O-N 2.67Å; R7-D9 VanDerWaalsContact O-N 3.16Å; D9-G11 PolarHBondContact O-N 3.16Å | ||
| 10 | G | 43.6 | Very low | 44.4 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -70 | 43.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113 | G8 A12 | G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 2.72Å; G10-A12 PolarHBondContact O-N 3.47Å | ||
| 11 | G | 41.3 | Very low | 44.3 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | trans | -74.3 | 58.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D9 N13 | D9-G11 PolarHBondContact O-N 3.16Å; G11-N13 VanDerWaalsContact C-N 3.35Å; G11-N13 PolarHBondContact O-N 2.87Å | ||
| 12 | A | 46.6 | Very low | 44.5 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 59% | 0.587 | 63% | 0.63 | S | S | * | * | trans | -67.1 | 85.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G10 R14 | G10-A12 PolarHBondContact O-N 3.47Å; A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 3.35Å | ||
| 13 | N | 50.3 | Low | 44.8 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 37% | 0.369 | 60% | 0.595 | S | S | . | * | trans | 44.9 | 37.3 | 140.4 | -144.7 | 7.2 | 0 | 0 | 0 | 119 | G11 S15 L16 L17 | G11-N13 VanDerWaalsContact C-N 3.35Å; G11-N13 PolarHBondContact O-N 2.87Å; N13-S15 PolarHBondContact O-N 3.4Å; N13-S15 VanDerWaalsContact O-N 3.1Å; N13-L16 PolarHBondContact O-N 3.33Å; N13-L17 PolarHBondContact O-N 2.87Å | ||
| 14 | R | 47.7 | Very low | 44.8 | Very low | 209 Ų | 209 | 96.5 Ų | 96.5 | 79% | 0.789 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -22.2 | -175 | -66.1 | -177.9 | 82.7 | -174.5 | 6.5 | 114.8 | A12 F18 | A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 3.35Å; R14-F18 WeakPolarHBondContact O-CD2 3.28Å |
| 15 | S | 46.7 | Very low | 44.9 | Very low | 97 Ų | 97 | 93.7 Ų | 93.7 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -82.9 | -28.6 | 179.6 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | N13 P19 | N13-S15 PolarHBondContact O-N 3.4Å; N13-S15 VanDerWaalsContact O-N 3.1Å; S15-P19 WeakPolarHBondContact O-CD 3.34Å |
| 16 | L | 46.3 | Very low | 45.3 | Very low | 43 Ų | 43 | 90.5 Ų | 90.5 | 23% | 0.225 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -93.6 | -17.7 | 177.7 | -71.1 | 170.5 | 0 | 0 | 0 | 113 | N13 F18 P19 L20 K272 I273 | N13-L16 PolarHBondContact O-N 3.33Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 2.92Å; L16-P19 WeakPolarHBondContact O-CD 3.43Å; L16-P19 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 3.39Å; L16-K272 HydrophobicContact CD1-CB 4.34Å; L16-K272 WeakPolarHBondContact CD1-O 3.37Å; L16-I273 HydrophobicContact CD1-CG1 4.37Å; L16-I273 HydrophobicContact CD2-CG1 4.47Å |
| 17 | L | 48.5 | Very low | 45.8 | Very low | 99 Ų | 99 | 87.7 Ų | 87.7 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 170.9 | -83.7 | 163.4 | 0 | 0 | 0 | 112.8 | N13 A21 | N13-L17 PolarHBondContact O-N 2.87Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 2.93Å |
| 18 | F | 42.5 | Very low | 46.1 | Very low | 157 Ų | 157 | 81.1 Ų | 81.1 | 69% | 0.689 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -52.5 | 179.7 | -88.4 | -81 | 0 | 0 | 0 | 114.7 | R14 L16 L20 A21 A22 | R14-F18 WeakPolarHBondContact O-CD2 3.28Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 2.92Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 3.38Å; F18-A21 PolarHBondContact O-N 3.33Å; F18-A22 VanDerWaalsContact O-CB 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.98Å |
| 19 | P | 44.8 | Very low | 45.9 | Very low | 67 Ų | 67 | 78.9 Ų | 78.9 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177.9 | 22.9 | -33 | 0 | 0 | 0 | 112.6 | S15 L16 A22 V23 | S15-P19 WeakPolarHBondContact O-CD 3.34Å; L16-P19 WeakPolarHBondContact O-CD 3.43Å; L16-P19 WeakPolarHBondContact O-CG 3.36Å; P19-A22 PolarHBondContact O-N 2.88Å; P19-V23 WeakPolarHBondContact O-CG2 3.38Å; P19-V23 PolarHBondContact O-N 3.47Å |
| 20 | L | 46.8 | Very low | 46.2 | Very low | 30 Ų | 30 | 73.1 Ų | 73.1 | 16% | 0.157 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 177.6 | -73 | 170.3 | 0 | 0 | 0 | 112.5 | L16 F18 A22 V23 L24 T277 I281 | L16-L20 PolarHBondContact O-N 3.39Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 3.38Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-V23 PolarHBondContact O-N 3.48Å; L20-L24 PolarHBondContact O-N 3.23Å; L20-T277 HydrophobicContact CD1-CG2 4.13Å; L20-I281 HydrophobicContact CB-CD1 4.01Å; L20-I281 HydrophobicContact CD1-CD1 3.87Å; L20-I281 HydrophobicContact CD2-CD1 3.81Å; L20-I281 HydrophobicContact CD2-CG2 4.42Å; L20-I281 HydrophobicContact CG-CD1 4.11Å |
| 21 | A | 42.5 | Very low | 46.5 | Very low | 44 Ų | 44 | 71.6 Ų | 71.6 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 F18 L24 L25 | L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 2.93Å; F18-A21 PolarHBondContact O-N 3.33Å; A21-L24 PolarHBondContact O-N 3.49Å; A21-L25 WeakPolarHBondContact O-CB 3.49Å; A21-L25 WeakPolarHBondContact O-CD1 3.33Å; A21-L25 WeakPolarHBondContact O-CG 3.39Å; A21-L25 PolarHBondContact O-N 3.3Å |
| 22 | A | 46.8 | Very low | 46.5 | Very low | 44 Ų | 44 | 70.5 Ų | 70.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F18 P19 L20 L25 L26 | F18-A22 VanDerWaalsContact O-CB 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.98Å; P19-A22 PolarHBondContact O-N 2.88Å; L20-A22 VanDerWaalsContact C-N 3.34Å; A22-L25 PolarHBondContact O-N 2.89Å; A22-L26 VanDerWaalsContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CB 3.2Å; A22-L26 WeakPolarHBondContact O-CD1 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 3.46Å |
| 23 | V | 50.5 | Low | 46.3 | Very low | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.085 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | P19 L20 L26 S27 I83 V84 | P19-V23 WeakPolarHBondContact O-CG2 3.38Å; P19-V23 PolarHBondContact O-N 3.47Å; L20-V23 PolarHBondContact O-N 3.48Å; V23-L26 PolarHBondContact O-N 3.31Å; V23-S27 WeakPolarHBondContact O-CB 3.49Å; V23-S27 PolarHBondContact O-N 3.14Å; V23-S27 PolarHBondContact O-OG 3.05Å; V23-I83 HydrophobicContact CG2-CG2 4.23Å; V23-V84 HydrophobicContact CG1-CG2 3.73Å |
| 24 | L | 46.2 | Very low | 45.9 | Very low | 71 Ų | 71 | 72.1 Ų | 72.1 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.9 | -151.2 | 84.8 | 0 | 0 | 0 | 111.3 | L20 A21 L26 S27 V28 I281 | L20-L24 PolarHBondContact O-N 3.23Å; A21-L24 PolarHBondContact O-N 3.49Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 2.89Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3.33Å; L24-V28 WeakPolarHBondContact O-CG2 3.27Å; L24-V28 PolarHBondContact O-N 3.17Å; L24-I281 HydrophobicContact CD1-CG2 4.4Å |
| 25 | L | 43.5 | Very low | 46 | Very low | 123 Ų | 123 | 69.6 Ų | 69.6 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.3 | -33.4 | 178 | -73.5 | 166.6 | 0 | 0 | 0 | 112.9 | A21 A22 G29 | A21-L25 WeakPolarHBondContact O-CB 3.49Å; A21-L25 WeakPolarHBondContact O-CD1 3.33Å; A21-L25 WeakPolarHBondContact O-CG 3.39Å; A21-L25 PolarHBondContact O-N 3.3Å; A22-L25 PolarHBondContact O-N 2.89Å; L25-G29 WeakPolarHBondContact O-CA 3.33Å; L25-G29 PolarHBondContact O-N 3.05Å |
| 26 | L | 51 | Low | 45.7 | Very low | 88 Ų | 88 | 71.7 Ų | 71.7 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 171.9 | -75.8 | 165 | 0 | 0 | 0 | 110.8 | A22 V23 L24 G29 V30 | A22-L26 VanDerWaalsContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CB 3.2Å; A22-L26 WeakPolarHBondContact O-CD1 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 3.31Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 2.89Å; L26-G29 PolarHBondContact O-N 2.96Å; L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.91Å |
| 27 | S | 50.2 | Low | 45.5 | Very low | 20 Ų | 20 | 74.3 Ų | 74.3 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.3 | 70.5 | 0 | 0 | 0 | 0 | 113 | V23 L24 A31 | V23-S27 WeakPolarHBondContact O-CB 3.49Å; V23-S27 PolarHBondContact O-N 3.14Å; V23-S27 PolarHBondContact O-OG 3.05Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3.33Å; S27-A31 PolarHBondContact O-N 3.36Å |
| 28 | V | 46.2 | Very low | 45.2 | Very low | 88 Ų | 88 | 75.9 Ų | 75.9 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 111 | L24 A31 A32 | L24-V28 WeakPolarHBondContact O-CG2 3.27Å; L24-V28 PolarHBondContact O-N 3.17Å; V28-A31 PolarHBondContact O-N 2.96Å; V28-A32 WeakPolarHBondContact O-CB 3.47Å; V28-A32 PolarHBondContact O-N 3.42Å |
| 29 | G | 41.6 | Very low | 45.2 | Very low | 27 Ų | 27 | 71.8 Ų | 71.8 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L25 L26 A32 I33 | L25-G29 WeakPolarHBondContact O-CA 3.33Å; L25-G29 PolarHBondContact O-N 3.05Å; L26-G29 PolarHBondContact O-N 2.96Å; G29-A32 PolarHBondContact O-N 3.39Å; G29-I33 WeakPolarHBondContact O-CB 3.34Å; G29-I33 WeakPolarHBondContact O-CD1 3.42Å; G29-I33 WeakPolarHBondContact O-CG1 3.36Å; G29-I33 PolarHBondContact O-N 3.06Å |
| 30 | V | 47.5 | Very low | 45.3 | Very low | 28 Ų | 28 | 74.1 Ų | 74.1 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 172.3 | 170 | 0 | 0 | 0 | 0 | 111 | L26 A32 I33 Q34 V76 | L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.91Å; V30-A32 PolarHBondContact O-N 2.96Å; V30-I33 PolarHBondContact O-N 3.38Å; V30-Q34 WeakPolarHBondContact O-CB 3.33Å; V30-Q34 PolarHBondContact O-N 3.39Å; V30-V76 HydrophobicContact CG2-CB 4.13Å; V30-V76 HydrophobicContact CG2-CG1 3.6Å |
| 31 | A | 48.1 | Very low | 45.1 | Very low | 44 Ų | 44 | 80.1 Ų | 80.1 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S27 V28 Q34 E35 | S27-A31 PolarHBondContact O-N 3.36Å; V28-A31 PolarHBondContact O-N 2.96Å; A31-Q34 WeakPolarHBondContact O-CB 3.35Å; A31-Q34 PolarHBondContact O-N 3.27Å; A31-E35 PolarHBondContact O-N 2.8Å; A31-E35 VanDerWaalsContact O-N 3.09Å |
| 32 | A | 41.3 | Very low | 45.2 | Very low | 48 Ų | 48 | 84.4 Ų | 84.4 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V28 G29 V30 Q34 E35 E36 | V28-A32 WeakPolarHBondContact O-CB 3.47Å; V28-A32 PolarHBondContact O-N 3.42Å; G29-A32 PolarHBondContact O-N 3.39Å; V30-A32 PolarHBondContact O-N 2.96Å; A32-Q34 PolarHBondContact O-N 3.16Å; A32-E35 PolarHBondContact O-N 3.08Å; A32-E36 PolarHBondContact O-N 2.96Å |
| 33 | I | 44.3 | Very low | 44.4 | Very low | 106 Ų | 106 | 90.9 Ų | 90.9 | 54% | 0.544 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 172.5 | -71.2 | 163.2 | 0 | 0 | 0 | 109.9 | G29 V30 E36 Q37 | G29-I33 WeakPolarHBondContact O-CB 3.34Å; G29-I33 WeakPolarHBondContact O-CD1 3.42Å; G29-I33 WeakPolarHBondContact O-CG1 3.36Å; G29-I33 PolarHBondContact O-N 3.06Å; V30-I33 PolarHBondContact O-N 3.38Å; I33-E36 PolarHBondContact O-N 2.95Å; I33-Q37 HydrophobicContact CG2-CG 4.22Å; I33-Q37 WeakPolarHBondContact O-CG 3.29Å; I33-Q37 PolarHBondContact O-N 3.23Å |
| 34 | Q | 41.5 | Very low | 43.7 | Very low | 67 Ų | 67 | 95.8 Ų | 95.8 | 31% | 0.313 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -29.1 | 178.8 | -164 | 159.8 | 13.6 | 0 | 0 | 113.5 | V30 A31 A32 I296 | V30-Q34 WeakPolarHBondContact O-CB 3.33Å; V30-Q34 PolarHBondContact O-N 3.39Å; A31-Q34 WeakPolarHBondContact O-CB 3.35Å; A31-Q34 PolarHBondContact O-N 3.27Å; A32-Q34 PolarHBondContact O-N 3.16Å; Q34-I296 VanDerWaalsContact NE2-CD1 3.31Å |
| 35 | E | 48.4 | Very low | 43.1 | Very low | 156 Ų | 156 | 101.9 Ų | 101.9 | 73% | 0.729 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -46.4 | 166.5 | -94.6 | -174.4 | 139.5 | 0 | 0 | 112 | A31 A32 Q37 K38 A39 | A31-E35 PolarHBondContact O-N 2.8Å; A31-E35 VanDerWaalsContact O-N 3.09Å; A32-E35 PolarHBondContact O-N 3.08Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.4Å; E35-K38 PolarHBondContact O-N 2.85Å; E35-K38 VanDerWaalsContact O-N 3.14Å; E35-A39 PolarHBondContact O-N 2.94Å |
| 36 | E | 41.6 | Very low | 42.5 | Very low | 142 Ų | 142 | 105.8 Ų | 105.8 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.4 | -39.7 | -180 | -164.5 | 178.6 | 120 | 0 | 0 | 111.9 | A32 I33 K38 A39 V40 | A32-E36 PolarHBondContact O-N 2.96Å; I33-E36 PolarHBondContact O-N 2.95Å; E36-K38 VanDerWaalsContact C-N 3.25Å; E36-K38 PolarHBondContact O-N 2.95Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-V40 PolarHBondContact O-N 2.9Å |
| 37 | Q | 41.6 | Very low | 42.2 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 45% | 0.453 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.2 | -37.6 | 174.6 | -65.7 | -112.6 | -76.7 | 0 | 0 | 112.6 | I33 E35 Q41 | I33-Q37 HydrophobicContact CG2-CG 4.22Å; I33-Q37 WeakPolarHBondContact O-CG 3.29Å; I33-Q37 PolarHBondContact O-N 3.23Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.4Å; Q37-Q41 PolarHBondContact O-N 2.95Å |
| 38 | K | 42 | Very low | 41.2 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.8 | -38.9 | -179.2 | -167.2 | -178.6 | 176 | -165.6 | 0 | 111.7 | E35 E36 V40 Q41 E42 | E35-K38 PolarHBondContact O-N 2.85Å; E35-K38 VanDerWaalsContact O-N 3.14Å; E36-K38 VanDerWaalsContact C-N 3.25Å; E36-K38 PolarHBondContact O-N 2.95Å; K38-V40 VanDerWaalsContact C-N 3.32Å; K38-V40 PolarHBondContact O-N 3.22Å; K38-Q41 PolarHBondContact O-N 3.23Å; K38-Q41 VanDerWaalsContact O-N 3.15Å; K38-E42 VanDerWaalsContact CE-OE1 3.27Å; K38-E42 WeakPolarHBondContact CE-OE1 3.41Å; K38-E42 IonicContact NZ-OE1 3.9Å; K38-E42 PolarHBondContact O-N 3.49Å |
| 39 | A | 43.8 | Very low | 40.9 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.6 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E35 E36 Q41 | E35-A39 PolarHBondContact O-N 2.94Å; E36-A39 PolarHBondContact O-N 2.97Å; A39-Q41 VanDerWaalsContact C-N 3.26Å; A39-Q41 PolarHBondContact O-N 3.06Å |
| 40 | V | 45.6 | Very low | 40.4 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -20.8 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | E36 K38 | E36-V40 PolarHBondContact O-N 2.9Å; K38-V40 VanDerWaalsContact C-N 3.32Å; K38-V40 PolarHBondContact O-N 3.22Å |
| 41 | Q | 43.1 | Very low | 39.9 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -97.6 | -3.4 | -175 | -156.4 | 166.6 | -14.1 | 0 | 0 | 114 | Q37 K38 A39 | Q37-Q41 PolarHBondContact O-N 2.95Å; K38-Q41 PolarHBondContact O-N 3.23Å; K38-Q41 VanDerWaalsContact O-N 3.15Å; A39-Q41 VanDerWaalsContact C-N 3.26Å; A39-Q41 PolarHBondContact O-N 3.06Å |
| 42 | E | 43.9 | Very low | 40.3 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | -99.4 | 4 | -177.8 | -82.9 | -176.1 | -177.8 | 0 | 0 | 115.4 | K38 P44 | K38-E42 VanDerWaalsContact CE-OE1 3.27Å; K38-E42 WeakPolarHBondContact CE-OE1 3.41Å; K38-E42 IonicContact NZ-OE1 3.9Å; K38-E42 PolarHBondContact O-N 3.49Å; E42-P44 VanDerWaalsContact O-CD 3.22Å; E42-P44 WeakPolarHBondContact O-CD 3.35Å | ||
| 43 | E | 30 | Very low | 40.3 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -66.1 | 117.9 | 170.5 | -92.3 | -132.7 | 130.6 | 0 | 0 | 111.3 | Q45 | E43-Q45 PolarHBondContact O-N 2.85Š| ||
| 44 | P | 35.5 | Very low | 40.3 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -77.7 | 112.6 | -177.9 | -9.4 | 26.5 | 0 | 0 | 0 | 110.4 | E42 K46 | E42-P44 VanDerWaalsContact O-CD 3.22Å; E42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-K46 PolarHBondContact O-N 3.43Å | ||
| 45 | Q | 33.9 | Very low | 40.8 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | trans | -60.7 | 94.2 | 176.7 | -172.6 | 176.1 | 1.7 | 0 | 0 | 111.2 | E43 | E43-Q45 PolarHBondContact O-N 2.85Š| ||
| 46 | K | 32.2 | Very low | 40.6 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -87.7 | 123.1 | -179.2 | -147.8 | 172.5 | -171.5 | 175.5 | 0 | 110.8 | P44 | P44-K46 PolarHBondContact O-N 3.43Š| ||
| 47 | E | 42.9 | Very low | 40.8 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -46.3 | 133.4 | -174.7 | -174.9 | -175.5 | 169.1 | 0 | 0 | 116.1 | ||||
| 48 | K | 30.5 | Very low | 41.3 | Very low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | trans | -154.2 | 111.8 | 149.1 | -145.9 | 172.8 | -171.6 | 178.5 | 0 | 112.1 | ||||
| 49 | A | 39.2 | Very low | 41.9 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | -78.9 | 152.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 50 | T | 31.5 | Very low | 42.4 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 175.2 | 118 | 134.4 | -75.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 51 | S | 36.1 | Very low | 43 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 68.8 | 157.1 | 152.8 | 77 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 52 | P | 56.4 | Low | 43.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -115.1 | 151.7 | -155.3 | 40.3 | -30.2 | 0 | 0 | 0 | 115.9 | ||||
| 53 | H | 42.6 | Very low | 44.5 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -165.5 | 170.5 | 149.1 | -102.5 | -45 | 0 | 0 | 0 | 111.1 | ||||
| 54 | P | 44.8 | Very low | 46.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | -91.3 | 168 | -129.5 | 36.2 | -39.1 | 0 | 0 | 0 | 117.2 | G56 | P54-G56 PolarHBondContact O-N 2.95Š| |||
| 55 | V | 50.6 | Low | 48.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | -55.6 | 117 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 56 | G | 43.7 | Very low | 49.9 | Very low | 43 Ų | 43 | 129.3 Ų | 129.3 | 44% | 0.443 | 73% | 0.732 | S | S | . | * | trans | -104.4 | 163.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P54 I58 | P54-G56 PolarHBondContact O-N 2.95Å; G56-I58 VanDerWaalsContact C-N 3.3Å; G56-I58 PolarHBondContact O-N 3.37Å | ||
| 57 | P | 46.7 | Very low | 51.9 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 90% | 0.903 | 71% | 0.713 | S | S | * | * | trans | -76.5 | 76.9 | -174.3 | 32.6 | -36.1 | 0 | 0 | 0 | 112.1 | ||||
| 58 | I | 53 | Low | 53.9 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | -88.3 | 104.6 | 164.5 | -53.8 | 174.6 | 0 | 0 | 0 | 107 | G56 | G56-I58 VanDerWaalsContact C-N 3.3Å; G56-I58 PolarHBondContact O-N 3.37Å | ||
| 59 | V | 53.8 | Low | 56.4 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | 163 | 100.2 | 150.3 | 156.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 60 | T | 54.7 | Low | 58.6 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -166.8 | -23 | 155.4 | -3.1 | 0 | 0 | 0 | 0 | 112.2 | S64 | T60-S64 PolarHBondContact O-N 3.44Š|
| 61 | E | 58.4 | Low | 61.5 | Low | 154 Ų | 154 | 105.9 Ų | 105.9 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.8 | -52.3 | -177.7 | -157.1 | 172.7 | 171.4 | 0 | 0 | 113.2 | G63 S64 I65 | E61-G63 VanDerWaalsContact C-N 3.25Å; E61-G63 PolarHBondContact O-N 2.62Å; E61-S64 WeakPolarHBondContact O-CB 3.43Å; E61-S64 PolarHBondContact O-N 2.94Å; E61-S64 VanDerWaalsContact O-N 3.14Å; E61-I65 HydrophobicContact CG-CD1 4.35Å; E61-I65 PolarHBondContact O-N 3.33Å |
| 62 | N | 58.3 | Low | 64 | Low | 133 Ų | 133 | 105 Ų | 105 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.5 | -28.3 | 179.5 | -76.6 | -14.9 | 0 | 0 | 0 | 114.2 | K66 | N62-K66 PolarHBondContact O-N 2.94Å |
| 63 | G | 60.2 | Low | 65.5 | Low | 54 Ų | 54 | 102 Ų | 102 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.8 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 K66 G67 | E61-G63 VanDerWaalsContact C-N 3.25Å; E61-G63 PolarHBondContact O-N 2.62Å; G63-K66 PolarHBondContact O-N 2.64Å; G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å |
| 64 | S | 69.4 | Low | 67.8 | Low | 69 Ų | 69 | 93.1 Ų | 93.1 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.4 | -46.9 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | T60 E61 G67 N68 | T60-S64 PolarHBondContact O-N 3.44Å; E61-S64 WeakPolarHBondContact O-CB 3.43Å; E61-S64 PolarHBondContact O-N 2.94Å; E61-S64 VanDerWaalsContact O-N 3.14Å; S64-G67 PolarHBondContact O-N 2.82Å; S64-N68 PolarHBondContact O-N 3.36Å; S64-N68 PolarHBondContact O-ND2 2.9Å; S64-N68 PolarHBondContact OG-ND2 3.01Å |
| 65 | I | 72 | Confident | 70.2 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 43% | 0.431 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 179.8 | -69.1 | 176.7 | 0 | 0 | 0 | 110.9 | E61 G67 N68 L69 | E61-I65 HydrophobicContact CG-CD1 4.35Å; E61-I65 PolarHBondContact O-N 3.33Å; I65-G67 VanDerWaalsContact C-N 3.34Å; I65-G67 PolarHBondContact O-N 3.25Å; I65-N68 PolarHBondContact O-N 3.46Å; I65-L69 HydrophobicContact CG2-CD1 3.74Å; I65-L69 WeakPolarHBondContact O-CD1 3.47Å; I65-L69 PolarHBondContact O-N 3.05Å |
| 66 | K | 71.3 | Confident | 72.1 | Confident | 156 Ų | 156 | 83.8 Ų | 83.8 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 178.1 | -74.6 | -173.3 | 176.5 | -171.4 | 0 | 113.4 | N62 G63 L69 G70 | N62-K66 PolarHBondContact O-N 2.94Å; G63-K66 PolarHBondContact O-N 2.64Å; K66-L69 PolarHBondContact O-N 2.65Å; K66-G70 PolarHBondContact O-N 2.92Å; K66-G70 VanDerWaalsContact O-N 3.09Å |
| 67 | G | 74.4 | Confident | 74.3 | Confident | 48 Ų | 48 | 81.9 Ų | 81.9 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G63 S64 I65 L69 G70 F71 | G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å; S64-G67 PolarHBondContact O-N 2.82Å; I65-G67 VanDerWaalsContact C-N 3.34Å; I65-G67 PolarHBondContact O-N 3.25Å; G67-L69 PolarHBondContact O-N 2.63Å; G67-G70 PolarHBondContact O-N 3.29Å; G67-F71 PolarHBondContact O-N 2.85Å |
| 68 | N | 84.8 | Confident | 76.6 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 49% | 0.492 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.7 | -76.3 | -70 | 0 | 0 | 0 | 112.2 | S64 I65 F71 I72 | S64-N68 PolarHBondContact O-N 3.36Å; S64-N68 PolarHBondContact O-ND2 2.9Å; S64-N68 PolarHBondContact OG-ND2 3.01Å; I65-N68 PolarHBondContact O-N 3.46Å; N68-F71 PolarHBondContact O-N 3.25Å; N68-I72 VanDerWaalsContact O-CG1 3.29Å; N68-I72 WeakPolarHBondContact O-CG1 3.37Å; N68-I72 PolarHBondContact O-N 3.28Å |
| 69 | L | 82.6 | Confident | 78.5 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.2 | -89.8 | 76.4 | 0 | 0 | 0 | 112.2 | I65 K66 G67 I72 H73 | I65-L69 HydrophobicContact CG2-CD1 3.74Å; I65-L69 WeakPolarHBondContact O-CD1 3.47Å; I65-L69 PolarHBondContact O-N 3.05Å; K66-L69 PolarHBondContact O-N 2.65Å; G67-L69 PolarHBondContact O-N 2.63Å; L69-I72 PolarHBondContact O-N 3.43Å; L69-H73 WeakPolarHBondContact O-CB 3.3Å; L69-H73 PolarHBondContact O-N 3.13Å |
| 70 | G | 85.4 | Confident | 80.3 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K66 G67 A74 | K66-G70 PolarHBondContact O-N 2.92Å; K66-G70 VanDerWaalsContact O-N 3.09Å; G67-G70 PolarHBondContact O-N 3.29Å; G70-A74 VanDerWaalsContact O-CB 3.28Å; G70-A74 WeakPolarHBondContact O-CB 3.25Å; G70-A74 PolarHBondContact O-N 3.31Å |
| 71 | F | 91.9 | Very high | 82 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 174 | 173.9 | -89.5 | 0 | 0 | 0 | 112.1 | G67 N68 A74 F75 F245 G246 V249 | G67-F71 PolarHBondContact O-N 2.85Å; N68-F71 PolarHBondContact O-N 3.25Å; F71-A74 PolarHBondContact O-N 2.76Å; F71-F75 HydrophobicContact CE1-CB 4.4Å; F71-F75 WeakPolarHBondContact O-CB 3.48Å; F71-F75 PolarHBondContact O-N 3.16Å; F71-F245 HydrophobicContact CD2-CB 4.5Å; F71-G246 VanDerWaalsContact CD2-CA 3.46Å; F71-G246 VanDerWaalsContact CE2-CA 3.45Å; F71-V249 HydrophobicContact CE2-CG2 4.49Å; F71-V249 HydrophobicContact CZ-CB 4.4Å; F71-V249 HydrophobicContact CZ-CG1 4.46Å |
| 72 | I | 89.4 | Confident | 83.7 | Confident | 94 Ų | 94 | 50.5 Ų | 50.5 | 48% | 0.482 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | -178.9 | -67.3 | -66.3 | 0 | 0 | 0 | 111.4 | N68 L69 F75 V76 | N68-I72 VanDerWaalsContact O-CG1 3.29Å; N68-I72 WeakPolarHBondContact O-CG1 3.37Å; N68-I72 PolarHBondContact O-N 3.28Å; L69-I72 PolarHBondContact O-N 3.43Å; I72-F75 PolarHBondContact O-N 3.46Å; I72-V76 HydrophobicContact CG2-CG2 4.35Å; I72-V76 WeakPolarHBondContact O-CG2 3.38Å; I72-V76 PolarHBondContact O-N 3.34Å |
| 73 | H | 87.5 | Confident | 85.2 | Confident | 46 Ų | 46 | 44.8 Ų | 44.8 | 21% | 0.213 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -50.1 | 174.1 | -177 | -105.2 | 0 | 0 | 0 | 111.3 | L69 F75 V76 A77 E242 | L69-H73 WeakPolarHBondContact O-CB 3.3Å; L69-H73 PolarHBondContact O-N 3.13Å; H73-F75 VanDerWaalsContact C-N 3.33Å; H73-F75 PolarHBondContact O-N 2.94Å; H73-V76 PolarHBondContact O-N 3Å; H73-A77 WeakPolarHBondContact O-CB 3.31Å; H73-A77 PolarHBondContact O-N 3.01Å; H73-E242 IonicContact CE1-OE1 3.7Å; H73-E242 IonicContact CE1-OE2 3.35Å; H73-E242 PolarHBondContact CE1-OE2 3.45Å; H73-E242 IonicContact ND1-OE1 3.95Å; H73-E242 IonicContact ND1-OE2 2.8Å; H73-E242 PolarHBondContact ND1-OE2 2.98Å |
| 74 | A | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G70 F71 S78 E242 D243 V247 | G70-A74 VanDerWaalsContact O-CB 3.28Å; G70-A74 WeakPolarHBondContact O-CB 3.25Å; G70-A74 PolarHBondContact O-N 3.31Å; F71-A74 PolarHBondContact O-N 2.76Å; A74-S78 WeakPolarHBondContact O-CB 3.41Å; A74-S78 PolarHBondContact O-N 3.49Å; A74-S78 PolarHBondContact O-OG 2.85Å; A74-E242 HydrophobicContact CB-CB 3.71Å; A74-D243 HydrophobicContact CB-CB 3.95Å; A74-D243 WeakPolarHBondContact CB-O 3.41Å; A74-V247 HydrophobicContact CB-CG2 4.04Å |
| 75 | F | 94.1 | Very high | 87.5 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -54.3 | 177 | 172.8 | -91.7 | 0 | 0 | 0 | 111.9 | F71 I72 H73 A77 S78 F79 G246 V249 G250 I253 | F71-F75 HydrophobicContact CE1-CB 4.4Å; F71-F75 WeakPolarHBondContact O-CB 3.48Å; F71-F75 PolarHBondContact O-N 3.16Å; I72-F75 PolarHBondContact O-N 3.46Å; H73-F75 VanDerWaalsContact C-N 3.33Å; H73-F75 PolarHBondContact O-N 2.94Å; F75-A77 VanDerWaalsContact C-N 3.35Å; F75-A77 PolarHBondContact O-N 3.3Å; F75-S78 PolarHBondContact O-N 2.82Å; F75-S78 PolarHBondContact O-OG 3Å; F75-S78 VanDerWaalsContact O-OG 3.05Å; F75-F79 WeakPolarHBondContact O-CB 3.14Å; F75-F79 PolarHBondContact O-N 3.36Å; F75-G246 VanDerWaalsContact CA-O 3.32Å; F75-G246 WeakPolarHBondContact CA-O 3.48Å; F75-V249 HydrophobicContact CD2-CB 4.38Å; F75-V249 HydrophobicContact CD2-CG1 4.03Å; F75-V249 HydrophobicContact CE2-CG1 4.01Å; F75-G250 VanDerWaalsContact CE2-CA 3.48Å; F75-I253 HydrophobicContact CE2-CD1 4.13Å |
| 76 | V | 91.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | -178.3 | -179 | 0 | 0 | 0 | 0 | 110.4 | V30 I72 H73 S80 | V30-V76 HydrophobicContact CG2-CB 4.13Å; V30-V76 HydrophobicContact CG2-CG1 3.6Å; I72-V76 HydrophobicContact CG2-CG2 4.35Å; I72-V76 WeakPolarHBondContact O-CG2 3.38Å; I72-V76 PolarHBondContact O-N 3.34Å; H73-V76 PolarHBondContact O-N 3Å; V76-S80 VanDerWaalsContact O-CB 3.27Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 3.18Å; V76-S80 PolarHBondContact O-OG 2.96Å |
| 77 | A | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | H73 F75 V81 L238 F289 | H73-A77 WeakPolarHBondContact O-CB 3.31Å; H73-A77 PolarHBondContact O-N 3.01Å; F75-A77 VanDerWaalsContact C-N 3.35Å; F75-A77 PolarHBondContact O-N 3.3Å; A77-V81 WeakPolarHBondContact O-CB 3.43Å; A77-V81 VanDerWaalsContact O-CG2 3.23Å; A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.25Å; A77-L238 HydrophobicContact CB-CD2 3.69Å; A77-F289 HydrophobicContact CB-CE1 3.95Å; A77-F289 HydrophobicContact CB-CZ 3.99Å |
| 78 | S | 94 | Very high | 89.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.8 | -45.8 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | A74 F75 S80 V81 I82 L238 G246 V247 G250 G251 | A74-S78 WeakPolarHBondContact O-CB 3.41Å; A74-S78 PolarHBondContact O-N 3.49Å; A74-S78 PolarHBondContact O-OG 2.85Å; F75-S78 PolarHBondContact O-N 2.82Å; F75-S78 PolarHBondContact O-OG 3Å; F75-S78 VanDerWaalsContact O-OG 3.05Å; S78-S80 PolarHBondContact O-N 2.9Å; S78-V81 PolarHBondContact O-N 3.48Å; S78-I82 WeakPolarHBondContact O-CB 3.39Å; S78-I82 WeakPolarHBondContact O-CG1 3.32Å; S78-I82 PolarHBondContact O-N 2.94Å; S78-L238 VanDerWaalsContact N-CD2 3.29Å; S78-G246 PolarHBondContact OG-O 2.78Å; S78-V247 WeakPolarHBondContact CB-O 3.43Å; S78-V247 WeakPolarHBondContact OG-CA 3.38Å; S78-V247 PolarHBondContact OG-O 3.47Å; S78-G250 WeakPolarHBondContact OG-CA 3.4Å; S78-G251 PolarHBondContact OG-N 3.19Å |
| 79 | F | 93.7 | Very high | 89.7 | Confident | 41 Ų | 41 | 24.4 Ų | 24.4 | 18% | 0.18 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 176.2 | 175.3 | -101.4 | 0 | 0 | 0 | 112 | F75 I83 G250 I253 L257 | F75-F79 WeakPolarHBondContact O-CB 3.14Å; F75-F79 PolarHBondContact O-N 3.36Å; F79-I83 HydrophobicContact CD1-CD1 3.87Å; F79-I83 HydrophobicContact CD2-CD1 3.94Å; F79-I83 HydrophobicContact CE1-CD1 3.45Å; F79-I83 VanDerWaalsContact CE1-CD1 3.45Å; F79-I83 HydrophobicContact CE2-CD1 3.51Å; F79-I83 HydrophobicContact CG-CD1 4.11Å; F79-I83 HydrophobicContact CZ-CD1 3.27Å; F79-I83 WeakPolarHBondContact O-CG1 3.27Å; F79-I83 PolarHBondContact O-N 2.9Å; F79-I83 VanDerWaalsContact O-N 3.08Å; F79-G250 WeakPolarHBondContact CA-O 3.24Å; F79-I253 HydrophobicContact CD2-CG2 4.14Å; F79-I253 HydrophobicContact CE2-CG2 3.93Å; F79-L257 HydrophobicContact CE2-CD2 4.4Å; F79-L257 HydrophobicContact CZ-CD2 4.24Å |
| 80 | S | 90.3 | Very high | 90 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 112 | V76 S78 V84 | V76-S80 VanDerWaalsContact O-CB 3.27Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 3.18Å; V76-S80 PolarHBondContact O-OG 2.96Å; S78-S80 PolarHBondContact O-N 2.9Å; S80-V84 WeakPolarHBondContact O-CB 3.43Å; S80-V84 WeakPolarHBondContact O-CG2 3.42Å; S80-V84 PolarHBondContact O-N 3.46Å; S80-V84 VanDerWaalsContact O-N 3.11Å |
| 81 | V | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | -179.2 | 163.5 | 0 | 0 | 0 | 0 | 112.2 | A77 S78 V84 S85 F145 A234 L238 F286 F289 | A77-V81 WeakPolarHBondContact O-CB 3.43Å; A77-V81 VanDerWaalsContact O-CG2 3.23Å; A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.25Å; S78-V81 PolarHBondContact O-N 3.48Å; V81-V84 PolarHBondContact O-N 2.81Å; V81-S85 WeakPolarHBondContact O-CB 3.41Å; V81-S85 PolarHBondContact O-N 2.86Å; V81-S85 PolarHBondContact O-OG 2.81Å; V81-F145 HydrophobicContact CG2-CE1 4.47Å; V81-F145 HydrophobicContact CG2-CZ 4.42Å; V81-A234 HydrophobicContact CG1-CB 3.5Å; V81-L238 HydrophobicContact CG1-CD1 4.47Å; V81-L238 HydrophobicContact CG2-CD1 4.43Å; V81-F286 HydrophobicContact CG1-CE2 4.24Å; V81-F286 HydrophobicContact CG1-CZ 3.89Å; V81-F289 HydrophobicContact CG2-CD2 4.11Å; V81-F289 HydrophobicContact CG2-CE2 3.71Å; V81-F289 HydrophobicContact CG2-CZ 4.4Å |
| 82 | I | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.9 | -54 | 177.5 | -71.9 | -51.1 | 0 | 0 | 0 | 110.4 | S78 V84 S85 E86 | S78-I82 WeakPolarHBondContact O-CB 3.39Å; S78-I82 WeakPolarHBondContact O-CG1 3.32Å; S78-I82 PolarHBondContact O-N 2.94Å; I82-V84 PolarHBondContact O-N 3.44Å; I82-V84 VanDerWaalsContact O-N 3.12Å; I82-S85 PolarHBondContact O-N 3.19Å; I82-E86 HydrophobicContact CG2-CG 3.81Å; I82-E86 WeakPolarHBondContact O-CB 3.48Å; I82-E86 WeakPolarHBondContact O-CG 3.36Å; I82-E86 PolarHBondContact O-N 2.87Å |
| 83 | I | 91.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 17 Ų | 17 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -52.8 | -43.5 | 179.2 | -73.5 | 168.3 | 0 | 0 | 0 | 111.6 | V23 F79 L87 L257 | V23-I83 HydrophobicContact CG2-CG2 4.23Å; F79-I83 HydrophobicContact CD1-CD1 3.87Å; F79-I83 HydrophobicContact CD2-CD1 3.94Å; F79-I83 HydrophobicContact CE1-CD1 3.45Å; F79-I83 VanDerWaalsContact CE1-CD1 3.45Å; F79-I83 HydrophobicContact CE2-CD1 3.51Å; F79-I83 HydrophobicContact CG-CD1 4.11Å; F79-I83 HydrophobicContact CZ-CD1 3.27Å; F79-I83 WeakPolarHBondContact O-CG1 3.27Å; F79-I83 PolarHBondContact O-N 2.9Å; F79-I83 VanDerWaalsContact O-N 3.08Å; I83-L87 WeakPolarHBondContact O-CB 3.31Å; I83-L87 PolarHBondContact O-N 3.27Å; I83-L257 HydrophobicContact CD1-CD2 3.69Å; I83-L257 HydrophobicContact CG1-CD2 4.26Å |
| 84 | V | 88.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.036 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.7 | -28.9 | -176.9 | 160.8 | 0 | 0 | 0 | 0 | 113.6 | V23 S80 V81 I82 V285 F286 | V23-V84 HydrophobicContact CG1-CG2 3.73Å; S80-V84 WeakPolarHBondContact O-CB 3.43Å; S80-V84 WeakPolarHBondContact O-CG2 3.42Å; S80-V84 PolarHBondContact O-N 3.46Å; S80-V84 VanDerWaalsContact O-N 3.11Å; V81-V84 PolarHBondContact O-N 2.81Å; I82-V84 PolarHBondContact O-N 3.44Å; I82-V84 VanDerWaalsContact O-N 3.12Å; V84-V285 HydrophobicContact CG1-CB 4.33Å; V84-V285 HydrophobicContact CG2-CG1 4.48Å; V84-V285 HydrophobicContact CG2-CG2 4.28Å; V84-F286 HydrophobicContact CG1-CD2 4.36Å; V84-F286 HydrophobicContact CG1-CE2 4.27Å |
| 85 | S | 88.7 | Confident | 90.6 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 4% | 0.035 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -88.8 | -32.6 | -177.9 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | V81 I82 F286 | V81-S85 WeakPolarHBondContact O-CB 3.41Å; V81-S85 PolarHBondContact O-N 2.86Å; V81-S85 PolarHBondContact O-OG 2.81Å; I82-S85 PolarHBondContact O-N 3.19Å; S85-F286 WeakPolarHBondContact OG-CE2 3.26Å; S85-F286 WeakPolarHBondContact OG-CZ 3.28Å |
| 86 | E | 90.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -96.8 | -27.6 | -172 | -51.6 | -99.6 | 135.3 | 0 | 0 | 113.1 | I82 G88 D89 F92 S231 H255 C258 | I82-E86 HydrophobicContact CG2-CG 3.81Å; I82-E86 WeakPolarHBondContact O-CB 3.48Å; I82-E86 WeakPolarHBondContact O-CG 3.36Å; I82-E86 PolarHBondContact O-N 2.87Å; E86-G88 PolarHBondContact O-N 3.26Å; E86-D89 PolarHBondContact O-N 3.49Å; E86-D89 VanDerWaalsContact O-N 3.14Å; E86-D89 VanDerWaalsContact O-OD1 3.13Å; E86-F92 WeakPolarHBondContact O-CB 3.37Å; E86-S231 WeakPolarHBondContact OE1-CB 3.02Å; E86-S231 PolarHBondContact OE1-OG 3.44Å; E86-H255 IonicContact OE1-CE1 3.93Å; E86-H255 PolarHBondContact OE1-CE1 3.22Å; E86-H255 IonicContact OE1-ND1 3.25Å; E86-H255 IonicContact OE2-CE1 3.46Å; E86-H255 PolarHBondContact OE2-CE1 2.91Å; E86-H255 VanDerWaalsContact OE2-CE1 3.25Å; E86-H255 IonicContact OE2-CG 3.19Å; E86-H255 IonicContact OE2-ND1 2.81Å; E86-H255 PolarHBondContact OE2-ND1 3.26Å; E86-C258 HydrophobicContact CB-CB 4.12Å |
| 87 | L | 87.5 | Confident | 90.5 | Very high | 29 Ų | 29 | 12.4 Ų | 12.4 | 15% | 0.152 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 110.4 | -172.8 | -179.9 | 72.5 | 0 | 0 | 0 | 110.7 | I83 D89 F92 I273 V278 | I83-L87 WeakPolarHBondContact O-CB 3.31Å; I83-L87 PolarHBondContact O-N 3.27Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-F92 HydrophobicContact CD1-CD2 4.21Å; L87-F92 HydrophobicContact CD1-CE2 3.77Å; L87-F92 HydrophobicContact CD1-CZ 4.36Å; L87-I273 HydrophobicContact CD1-CD1 3.79Å; L87-I273 HydrophobicContact CG-CD1 4.35Å; L87-V278 HydrophobicContact CB-CG1 4.02Å; L87-V278 HydrophobicContact CD2-CG1 4.22Å; L87-V278 HydrophobicContact CD2-CG2 4.04Å; L87-V278 HydrophobicContact CG-CG1 4.32Å; L87-V278 HydrophobicContact CG-CG2 4.27Å; L87-V278 VanDerWaalsContact O-CG1 3.22Å; L87-V278 WeakPolarHBondContact O-CG1 3.38Å |
| 88 | G | 81.6 | Confident | 90.4 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 21 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E86 F93 V275 | E86-G88 PolarHBondContact O-N 3.26Å; G88-F93 WeakPolarHBondContact O-CE2 3.35Å; G88-V275 WeakPolarHBondContact O-CG1 3.39Å; G88-V275 WeakPolarHBondContact O-CG2 3.46Å |
| 89 | D | 89.2 | Confident | 90.1 | Very high | 28 Ų | 28 | 12.5 Ų | 12.5 | 15% | 0.15 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -77.2 | -178.6 | 165.4 | 104.3 | -60.3 | 0 | 0 | 0 | 111.2 | E86 L87 T91 F92 F93 | E86-D89 PolarHBondContact O-N 3.49Å; E86-D89 VanDerWaalsContact O-N 3.14Å; E86-D89 VanDerWaalsContact O-OD1 3.13Å; L87-D89 VanDerWaalsContact C-N 3.34Å; D89-T91 VanDerWaalsContact C-N 3.35Å; D89-T91 PolarHBondContact O-N 3.31Å; D89-T91 WeakPolarHBondContact OD1-CA 3.29Å; D89-T91 PolarHBondContact OD1-N 3.02Å; D89-T91 PolarHBondContact OD1-OG1 2.92Å; D89-T91 VanDerWaalsContact OD1-OG1 3.1Å; D89-T91 PolarHBondContact OD2-N 3.48Å; D89-F92 WeakPolarHBondContact O-CB 3.23Å; D89-F92 PolarHBondContact O-N 3.44Å; D89-F92 PolarHBondContact OD1-N 2.88Å; D89-F93 WeakPolarHBondContact O-CD2 3.13Å; D89-F93 PolarHBondContact O-N 3.49Å |
| 90 | K | 88.5 | Confident | 89.8 | Confident | 93 Ų | 93 | 14.6 Ų | 14.6 | 40% | 0.404 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 175.2 | -67.7 | -170.6 | 179.9 | -77 | 0 | 113 | F93 I94 E167 E170 | K90-F93 PolarHBondContact O-N 3.49Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.19Å; K90-I94 PolarHBondContact O-N 3.37Å; K90-E167 WeakPolarHBondContact CE-OE1 3.2Å; K90-E167 WeakPolarHBondContact CG-OE2 3.39Å; K90-E167 IonicContact NZ-OE1 2.64Å; K90-E167 PolarHBondContact NZ-OE1 2.91Å; K90-E167 IonicContact NZ-OE2 2.62Å; K90-E167 PolarHBondContact NZ-OE2 3.43Å; K90-E170 IonicContact NZ-OE2 2.71Å |
| 91 | T | 91.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75.6 | -31.4 | -177.7 | 85.1 | 0 | 0 | 0 | 0 | 112.6 | D89 F93 I94 A95 A225 E226 | D89-T91 VanDerWaalsContact C-N 3.35Å; D89-T91 PolarHBondContact O-N 3.31Å; D89-T91 WeakPolarHBondContact OD1-CA 3.29Å; D89-T91 PolarHBondContact OD1-N 3.02Å; D89-T91 PolarHBondContact OD1-OG1 2.92Å; D89-T91 VanDerWaalsContact OD1-OG1 3.1Å; D89-T91 PolarHBondContact OD2-N 3.48Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 2.82Å; T91-I94 PolarHBondContact O-N 2.88Å; T91-A95 WeakPolarHBondContact O-CB 3.12Å; T91-A95 PolarHBondContact O-N 3.39Å; T91-A225 HydrophobicContact CG2-CB 3.4Å; T91-A225 VanDerWaalsContact CG2-CB 3.4Å; T91-E226 VanDerWaalsContact CB-OE1 3.24Å; T91-E226 WeakPolarHBondContact CB-OE1 3.43Å; T91-E226 HydrophobicContact CG2-CG 3.87Å; T91-E226 WeakPolarHBondContact CG2-OE1 3.32Å; T91-E226 PolarHBondContact OG1-OE1 2.94Å |
| 92 | F | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 165.2 | -175.2 | -84.7 | 0 | 0 | 0 | 111.3 | E86 L87 D89 A95 A96 C258 L261 A262 I269 I273 | E86-F92 WeakPolarHBondContact O-CB 3.37Å; L87-F92 HydrophobicContact CD1-CD2 4.21Å; L87-F92 HydrophobicContact CD1-CE2 3.77Å; L87-F92 HydrophobicContact CD1-CZ 4.36Å; D89-F92 WeakPolarHBondContact O-CB 3.23Å; D89-F92 PolarHBondContact O-N 3.44Å; D89-F92 PolarHBondContact OD1-N 2.88Å; F92-A95 PolarHBondContact O-N 2.98Å; F92-A96 WeakPolarHBondContact O-CB 3.46Å; F92-A96 PolarHBondContact O-N 2.96Å; F92-C258 WeakPolarHBondContact CE2-O 3.39Å; F92-L261 HydrophobicContact CE2-CB 4.24Å; F92-A262 HydrophobicContact CD1-CB 4.39Å; F92-A262 HydrophobicContact CD2-CB 3.77Å; F92-A262 HydrophobicContact CE1-CB 4.35Å; F92-A262 HydrophobicContact CE2-CB 3.72Å; F92-A262 HydrophobicContact CG-CB 4.09Å; F92-A262 HydrophobicContact CZ-CB 4.01Å; F92-A262 WeakPolarHBondContact O-CB 3.28Å; F92-I269 HydrophobicContact CZ-CG2 4Å; F92-I273 HydrophobicContact CE1-CD1 3.8Å; F92-I273 HydrophobicContact CE2-CD1 4.21Å; F92-I273 HydrophobicContact CZ-CD1 3.46Å; F92-I273 VanDerWaalsContact CZ-CD1 3.46Å |
| 93 | F | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 175.8 | -70.1 | -64.7 | 0 | 0 | 0 | 112.7 | G88 D89 K90 T91 A95 A96 I97 G164 E167 L168 V171 A270 V275 | G88-F93 WeakPolarHBondContact O-CE2 3.35Å; D89-F93 WeakPolarHBondContact O-CD2 3.13Å; D89-F93 PolarHBondContact O-N 3.49Å; K90-F93 PolarHBondContact O-N 3.49Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 2.82Å; F93-A95 PolarHBondContact O-N 3.26Å; F93-A96 PolarHBondContact O-N 3.15Å; F93-I97 WeakPolarHBondContact O-CG1 3.02Å; F93-I97 PolarHBondContact O-N 3.28Å; F93-G164 VanDerWaalsContact CE1-O 3.32Å; F93-G164 WeakPolarHBondContact CE1-O 3.34Å; F93-G164 WeakPolarHBondContact CZ-O 3.38Å; F93-E167 HydrophobicContact CD2-CB 3.86Å; F93-E167 HydrophobicContact CE2-CB 3.89Å; F93-L168 HydrophobicContact CD1-CB 4Å; F93-L168 HydrophobicContact CD1-CD1 3.79Å; F93-L168 HydrophobicContact CE1-CB 4.19Å; F93-L168 HydrophobicContact CE1-CD1 4.43Å; F93-V171 HydrophobicContact CB-CG2 4.22Å; F93-A270 HydrophobicContact CD1-CB 4.03Å; F93-A270 HydrophobicContact CE1-CB 3.92Å; F93-V275 HydrophobicContact CE2-CG2 3.62Å; F93-V275 HydrophobicContact CZ-CG2 3.54Å |
| 94 | I | 90.9 | Very high | 89 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -50.1 | 174.3 | -70.9 | 163.6 | 0 | 0 | 0 | 110.5 | K90 T91 A96 I97 M98 V171 L221 A225 | K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.19Å; K90-I94 PolarHBondContact O-N 3.37Å; T91-I94 PolarHBondContact O-N 2.88Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.15Å; I94-I97 PolarHBondContact O-N 2.95Å; I94-M98 HydrophobicContact CG2-CG 4.08Å; I94-M98 VanDerWaalsContact O-CB 3.25Å; I94-M98 WeakPolarHBondContact O-CB 3.5Å; I94-M98 WeakPolarHBondContact O-CG 3.25Å; I94-M98 PolarHBondContact O-N 3.3Å; I94-V171 HydrophobicContact CB-CG1 4.3Å; I94-V171 HydrophobicContact CG1-CG1 3.66Å; I94-V171 HydrophobicContact CG1-CG2 4.18Å; I94-L221 HydrophobicContact CG2-CB 3.89Å; I94-L221 HydrophobicContact CG2-CD1 4.32Å; I94-A225 HydrophobicContact CD1-CB 4.08Å |
| 95 | A | 92.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T91 F92 F93 A99 T259 A262 V263 | T91-A95 WeakPolarHBondContact O-CB 3.12Å; T91-A95 PolarHBondContact O-N 3.39Å; F92-A95 PolarHBondContact O-N 2.98Å; F93-A95 PolarHBondContact O-N 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.21Å; A95-T259 HydrophobicContact CB-CG2 4.33Å; A95-A262 HydrophobicContact CB-CB 3.84Å; A95-V263 HydrophobicContact CB-CG2 4.28Å |
| 96 | A | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F92 F93 I94 M100 A262 A270 | F92-A96 WeakPolarHBondContact O-CB 3.46Å; F92-A96 PolarHBondContact O-N 2.96Å; F93-A96 PolarHBondContact O-N 3.15Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.15Å; A96-M100 WeakPolarHBondContact O-CG 3.22Å; A96-M100 PolarHBondContact O-N 3.05Å; A96-A262 WeakPolarHBondContact CA-O 3.47Å; A96-A262 HydrophobicContact CB-CB 4.23Å; A96-A270 HydrophobicContact CB-CB 4.33Å |
| 97 | I | 90.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -47.3 | 177.4 | -66.3 | -60.5 | 0 | 0 | 0 | 111.1 | F93 I94 A99 M100 R101 L168 V171 Q172 I175 | F93-I97 WeakPolarHBondContact O-CG1 3.02Å; F93-I97 PolarHBondContact O-N 3.28Å; I94-I97 PolarHBondContact O-N 2.95Å; I97-A99 VanDerWaalsContact C-N 3.31Å; I97-A99 PolarHBondContact O-N 3.14Å; I97-M100 HydrophobicContact CD1-CE 3.57Å; I97-M100 PolarHBondContact O-N 2.91Å; I97-M100 VanDerWaalsContact O-N 3.15Å; I97-R101 PolarHBondContact O-N 3.37Å; I97-L168 HydrophobicContact CD1-CD1 3.41Å; I97-L168 VanDerWaalsContact CD1-CD1 3.41Å; I97-L168 HydrophobicContact CD1-CG 4.09Å; I97-L168 HydrophobicContact CG1-CD1 3.89Å; I97-V171 HydrophobicContact CB-CG1 4.27Å; I97-V171 HydrophobicContact CG1-CG1 3.99Å; I97-Q172 HydrophobicContact CD1-CB 3.99Å; I97-Q172 HydrophobicContact CD1-CG 4.34Å; I97-Q172 HydrophobicContact CG1-CB 4.4Å; I97-I175 HydrophobicContact CB-CD1 4Å; I97-I175 HydrophobicContact CG2-CD1 3.6Å |
| 98 | M | 88.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 178.3 | -71.2 | -71.8 | -64.8 | 0 | 0 | 110.9 | I94 M100 R101 Y102 V107 I175 I214 Q217 A218 L221 | I94-M98 HydrophobicContact CG2-CG 4.08Å; I94-M98 VanDerWaalsContact O-CB 3.25Å; I94-M98 WeakPolarHBondContact O-CB 3.5Å; I94-M98 WeakPolarHBondContact O-CG 3.25Å; I94-M98 PolarHBondContact O-N 3.3Å; M98-M100 PolarHBondContact O-N 2.93Å; M98-R101 PolarHBondContact O-N 2.84Å; M98-R101 VanDerWaalsContact O-N 3.15Å; M98-Y102 HydrophobicContact CB-CD2 4.44Å; M98-Y102 HydrophobicContact CE-CD2 3.72Å; M98-Y102 HydrophobicContact CE-CE2 3.51Å; M98-Y102 VanDerWaalsContact O-CD2 3.28Å; M98-Y102 WeakPolarHBondContact O-CD2 3.22Å; M98-Y102 PolarHBondContact O-N 3.05Å; M98-Y102 HydrophobicContact SD-CD2 4.1Å; M98-Y102 HydrophobicContact SD-CE2 3.55Å; M98-Y102 VanDerWaalsContact SD-CE2 3.55Å; M98-V107 HydrophobicContact CB-CB 4.41Å; M98-V107 HydrophobicContact CB-CG1 3.53Å; M98-V107 HydrophobicContact CB-CG2 3.94Å; M98-I175 HydrophobicContact CG-CD1 3.98Å; M98-I175 HydrophobicContact SD-CD1 3.97Å; M98-I175 HydrophobicContact SD-CG1 4.44Å; M98-I175 HydrophobicContact SD-CG2 4.27Å; M98-I214 HydrophobicContact CE-CG2 4.4Å; M98-Q217 HydrophobicContact CE-CB 4.24Å; M98-Q217 HydrophobicContact CE-CG 3.82Å; M98-Q217 HydrophobicContact SD-CG 4.42Å; M98-A218 HydrophobicContact CE-CB 3.99Å; M98-L221 HydrophobicContact SD-CD1 3.94Å |
| 99 | A | 88.8 | Confident | 90 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.6 | -17.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A95 I97 R104 V107 V263 | A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.21Å; I97-A99 VanDerWaalsContact C-N 3.31Å; I97-A99 PolarHBondContact O-N 3.14Å; A99-R104 HydrophobicContact CB-CG 4.32Å; A99-R104 WeakPolarHBondContact O-CG 3.27Å; A99-V107 HydrophobicContact CB-CG1 4.4Å; A99-V263 HydrophobicContact CB-CB 4.04Å; A99-V263 HydrophobicContact CB-CG1 3.81Å; A99-V263 HydrophobicContact CB-CG2 4.09Å |
| 100 | M | 87.4 | Confident | 90.2 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 42% | 0.424 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -86.7 | -27.7 | 172 | -71.3 | -171.9 | -69.6 | 0 | 0 | 113.3 | A96 I97 M98 R267 | A96-M100 WeakPolarHBondContact O-CG 3.22Å; A96-M100 PolarHBondContact O-N 3.05Å; I97-M100 HydrophobicContact CD1-CE 3.57Å; I97-M100 PolarHBondContact O-N 2.91Å; I97-M100 VanDerWaalsContact O-N 3.15Å; M98-M100 PolarHBondContact O-N 2.93Å; M100-R267 HydrophobicContact CE-CB 3.83Å; M100-R267 HydrophobicContact SD-CB 3.41Å; M100-R267 WeakPolarHBondContact SD-CB 3.44Å; M100-R267 PolarHBondContact SD-N 3.35Å |
| 101 | R | 82.3 | Confident | 90.5 | Very high | 91 Ų | 91 | 35 Ų | 35 | 34% | 0.343 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -89.4 | -31 | -179.6 | -69 | -171.5 | 177.3 | -152.5 | 3.6 | 113.5 | I97 M98 Q172 D179 | I97-R101 PolarHBondContact O-N 3.37Å; M98-R101 PolarHBondContact O-N 2.84Å; M98-R101 VanDerWaalsContact O-N 3.15Å; R101-Q172 PolarHBondContact NH2-O 3.19Å; R101-D179 IonicContact CZ-OD2 3.56Å; R101-D179 IonicContact NH1-OD2 2.65Å; R101-D179 PolarHBondContact NH1-OD2 3.2Å |
| 102 | Y | 85.3 | Confident | 90.7 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -130.2 | 176.7 | -173.7 | -42.3 | -76.4 | 0 | 0 | 0 | 112.1 | M98 R104 V107 D179 I214 Q217 | M98-Y102 HydrophobicContact CB-CD2 4.44Å; M98-Y102 HydrophobicContact CE-CD2 3.72Å; M98-Y102 HydrophobicContact CE-CE2 3.51Å; M98-Y102 VanDerWaalsContact O-CD2 3.28Å; M98-Y102 WeakPolarHBondContact O-CD2 3.22Å; M98-Y102 PolarHBondContact O-N 3.05Å; M98-Y102 HydrophobicContact SD-CD2 4.1Å; M98-Y102 HydrophobicContact SD-CE2 3.55Å; M98-Y102 VanDerWaalsContact SD-CE2 3.55Å; Y102-R104 PolarHBondContact O-N 3.39Å; Y102-R104 VanDerWaalsContact O-N 3.11Å; Y102-V107 HydrophobicContact CD2-CG2 4.38Å; Y102-D179 VanDerWaalsContact OH-CG 3.3Å; Y102-D179 PolarHBondContact OH-OD1 2.87Å; Y102-D179 PolarHBondContact OH-OD2 3.28Å; Y102-I214 HydrophobicContact CD1-CD1 3.65Å; Y102-I214 HydrophobicContact CD1-CG1 3.7Å; Y102-I214 HydrophobicContact CD1-CG2 4.16Å; Y102-I214 HydrophobicContact CD2-CG2 3.82Å; Y102-I214 HydrophobicContact CE1-CD1 4.39Å; Y102-I214 HydrophobicContact CE1-CG1 4.07Å; Y102-I214 HydrophobicContact CG-CB 4.48Å; Y102-I214 HydrophobicContact CG-CD1 4.1Å; Y102-I214 HydrophobicContact CG-CG1 4.04Å; Y102-I214 HydrophobicContact CG-CG2 3.59Å; Y102-Q217 PolarHBondContact OH-NE2 3.41Å |
| 103 | N | 89 | Confident | 90.9 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | trans | -59.3 | 117 | 177.7 | -179.2 | 12.6 | 0 | 0 | 0 | 111.3 | L105 T106 V107 | N103-L105 PolarHBondContact O-N 3.02Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 PolarHBondContact OD1-N 3.5Å; N103-T106 PolarHBondContact ND2-OG1 2.82Å; N103-T106 WeakPolarHBondContact O-CB 3.36Å; N103-T106 PolarHBondContact O-N 3.33Å; N103-V107 PolarHBondContact O-N 3.03Å; N103-V107 VanDerWaalsContact O-N 3.08Å | ||
| 104 | R | 91.4 | Very high | 91 | Very high | 128 Ų | 128 | 40.6 Ų | 40.6 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -49.2 | -42.1 | -178.8 | -61.9 | -173.4 | -170 | -163.6 | 3.3 | 113.1 | A99 Y102 V107 L108 V263 L264 | A99-R104 HydrophobicContact CB-CG 4.32Å; A99-R104 WeakPolarHBondContact O-CG 3.27Å; Y102-R104 PolarHBondContact O-N 3.39Å; Y102-R104 VanDerWaalsContact O-N 3.11Å; R104-V107 PolarHBondContact O-N 3.09Å; R104-L108 VanDerWaalsContact O-CB 3.24Å; R104-L108 WeakPolarHBondContact O-CB 3.41Å; R104-L108 PolarHBondContact O-N 3.09Å; R104-V263 HydrophobicContact CB-CG1 3.74Å; R104-V263 HydrophobicContact CG-CG1 4.31Å; R104-L264 PolarHBondContact NH1-O 2.91Å |
| 105 | L | 90.1 | Very high | 91.2 | Very high | 123 Ų | 123 | 40 Ų | 40 | 64% | 0.644 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -68.4 | -35.6 | -180 | -64.1 | 179.6 | 0 | 0 | 0 | 112.7 | N103 A109 | N103-L105 PolarHBondContact O-N 3.02Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 PolarHBondContact OD1-N 3.5Å; L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.05Å |
| 106 | T | 88.5 | Confident | 91.3 | Very high | 33 Ų | 33 | 41 Ų | 41 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.9 | -39.4 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | N103 G110 I214 F215 | N103-T106 PolarHBondContact ND2-OG1 2.82Å; N103-T106 WeakPolarHBondContact O-CB 3.36Å; N103-T106 PolarHBondContact O-N 3.33Å; T106-G110 PolarHBondContact O-N 3.45Å; T106-G110 VanDerWaalsContact O-N 3.11Å; T106-I214 HydrophobicContact CG2-CB 4.34Å; T106-I214 HydrophobicContact CG2-CG2 4.22Å; T106-F215 HydrophobicContact CG2-CB 3.87Å |
| 107 | V | 91.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -49.5 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | M98 A99 Y102 N103 R104 A109 G110 A111 I214 A218 V263 | M98-V107 HydrophobicContact CB-CB 4.41Å; M98-V107 HydrophobicContact CB-CG1 3.53Å; M98-V107 HydrophobicContact CB-CG2 3.94Å; A99-V107 HydrophobicContact CB-CG1 4.4Å; Y102-V107 HydrophobicContact CD2-CG2 4.38Å; N103-V107 PolarHBondContact O-N 3.03Å; N103-V107 VanDerWaalsContact O-N 3.08Å; R104-V107 PolarHBondContact O-N 3.09Å; V107-A109 PolarHBondContact O-N 3.35Å; V107-G110 PolarHBondContact O-N 3.22Å; V107-A111 WeakPolarHBondContact O-CB 3.44Å; V107-A111 PolarHBondContact O-N 2.89Å; V107-I214 HydrophobicContact CG2-CG2 4.2Å; V107-A218 HydrophobicContact CG1-CB 4.4Å; V107-V263 HydrophobicContact CG1-CG2 4.37Å |
| 108 | L | 93.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 46 Ų | 46 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 177.1 | -175.9 | 64.2 | 0 | 0 | 0 | 111.4 | R104 G110 A111 M112 T259 V263 | R104-L108 VanDerWaalsContact O-CB 3.24Å; R104-L108 WeakPolarHBondContact O-CB 3.41Å; R104-L108 PolarHBondContact O-N 3.09Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.18Å; L108-A111 PolarHBondContact O-N 3.2Å; L108-M112 HydrophobicContact CD1-CG 3.8Å; L108-M112 HydrophobicContact CD1-SD 4.42Å; L108-M112 HydrophobicContact CG-CG 4.12Å; L108-M112 WeakPolarHBondContact O-CB 3.5Å; L108-M112 WeakPolarHBondContact O-CG 3.38Å; L108-M112 PolarHBondContact O-N 3.1Å; L108-T259 HydrophobicContact CD1-CG2 3.77Å; L108-V263 HydrophobicContact CB-CG1 4.28Å; L108-V263 HydrophobicContact CB-CG2 4.39Å; L108-V263 HydrophobicContact CD1-CG2 4.22Å |
| 109 | A | 94.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L105 V107 L113 F215 | L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.05Å; V107-A109 PolarHBondContact O-N 3.35Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 3.13Å; A109-F215 VanDerWaalsContact C-CE2 3.43Å; A109-F215 HydrophobicContact CB-CD2 4.12Å; A109-F215 HydrophobicContact CB-CE2 3.86Å; A109-F215 WeakPolarHBondContact O-CE2 3.5Å |
| 110 | G | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -49.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T106 V107 L108 L113 A114 F219 | T106-G110 PolarHBondContact O-N 3.45Å; T106-G110 VanDerWaalsContact O-N 3.11Å; V107-G110 PolarHBondContact O-N 3.22Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.18Å; G110-L113 PolarHBondContact O-N 3.5Å; G110-A114 PolarHBondContact O-N 3.48Å; G110-A114 VanDerWaalsContact O-N 3.09Å; G110-F219 WeakPolarHBondContact O-CA 3.17Å |
| 111 | A | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V107 L108 L113 A114 L115 T222 T259 | V107-A111 WeakPolarHBondContact O-CB 3.44Å; V107-A111 PolarHBondContact O-N 2.89Å; L108-A111 PolarHBondContact O-N 3.2Å; A111-L113 VanDerWaalsContact C-N 3.31Å; A111-L113 PolarHBondContact O-N 3.27Å; A111-A114 WeakPolarHBondContact O-CB 3.3Å; A111-A114 PolarHBondContact O-N 3.22Å; A111-A114 VanDerWaalsContact O-N 3.09Å; A111-L115 WeakPolarHBondContact O-CG 3.47Å; A111-L115 PolarHBondContact O-N 3.34Å; A111-T222 HydrophobicContact CB-CG2 4.33Å; A111-T259 HydrophobicContact CB-CG2 3.79Å |
| 112 | M | 95.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 18% | 0.177 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -32.4 | 178.6 | -71.9 | -52.2 | -44.1 | 0 | 0 | 113.2 | L108 L115 G116 H255 C256 T259 | L108-M112 HydrophobicContact CD1-CG 3.8Å; L108-M112 HydrophobicContact CD1-SD 4.42Å; L108-M112 HydrophobicContact CG-CG 4.12Å; L108-M112 WeakPolarHBondContact O-CB 3.5Å; L108-M112 WeakPolarHBondContact O-CG 3.38Å; L108-M112 PolarHBondContact O-N 3.1Å; M112-L115 HydrophobicContact SD-CD1 4.48Å; M112-G116 PolarHBondContact O-N 3.12Å; M112-H255 HydrophobicContact CE-CB 4.38Å; M112-C256 HydrophobicContact CE-CB 4.27Å; M112-C256 WeakPolarHBondContact CE-SG 3.44Å; M112-T259 HydrophobicContact SD-CG2 4.28Å |
| 113 | L | 95.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70 | -37.6 | 173.2 | -166.9 | 146.7 | 0 | 0 | 0 | 111.2 | A109 G110 A111 F117 F215 F219 | A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 3.13Å; G110-L113 PolarHBondContact O-N 3.5Å; A111-L113 VanDerWaalsContact C-N 3.31Å; A111-L113 PolarHBondContact O-N 3.27Å; L113-F117 VanDerWaalsContact O-CB 3.22Å; L113-F117 WeakPolarHBondContact O-CB 3.47Å; L113-F117 PolarHBondContact O-N 3.14Å; L113-F215 HydrophobicContact CB-CZ 4.22Å; L113-F215 HydrophobicContact CD1-CZ 4.03Å; L113-F219 HydrophobicContact CB-CD2 4.46Å; L113-F219 HydrophobicContact CD2-CD2 3.61Å; L113-F219 HydrophobicContact CD2-CE2 3.46Å; L113-F219 VanDerWaalsContact CD2-CE2 3.46Å; L113-F219 HydrophobicContact CD2-CZ 4.47Å |
| 114 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G110 A111 F117 M118 F219 T222 F223 | G110-A114 PolarHBondContact O-N 3.48Å; G110-A114 VanDerWaalsContact O-N 3.09Å; A111-A114 WeakPolarHBondContact O-CB 3.3Å; A111-A114 PolarHBondContact O-N 3.22Å; A111-A114 VanDerWaalsContact O-N 3.09Å; A114-F117 PolarHBondContact O-N 2.98Å; A114-M118 VanDerWaalsContact O-CG 3.3Å; A114-M118 WeakPolarHBondContact O-CG 3.32Å; A114-M118 PolarHBondContact O-N 3.45Å; A114-F219 HydrophobicContact CB-CD2 3.64Å; A114-F219 HydrophobicContact CB-CE2 3.94Å; A114-F219 HydrophobicContact CB-CG 4.41Å; A114-T222 HydrophobicContact CB-CG2 3.9Å; A114-F223 HydrophobicContact CB-CB 3.95Å |
| 115 | L | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | -178.8 | -62.3 | 173.4 | 0 | 0 | 0 | 112.6 | A111 M112 M118 T119 T222 E226 H255 T259 | A111-L115 WeakPolarHBondContact O-CG 3.47Å; A111-L115 PolarHBondContact O-N 3.34Å; M112-L115 HydrophobicContact SD-CD1 4.48Å; L115-M118 WeakPolarHBondContact O-CB 3.28Å; L115-M118 PolarHBondContact O-N 2.93Å; L115-T119 WeakPolarHBondContact O-CB 2.89Å; L115-T119 PolarHBondContact O-N 3.48Å; L115-T119 PolarHBondContact O-OG1 3.4Å; L115-T222 HydrophobicContact CD1-CG2 4.37Å; L115-T222 HydrophobicContact CD2-CG2 3.75Å; L115-T222 HydrophobicContact CG-CG2 3.82Å; L115-E226 HydrophobicContact CD2-CG 3.64Å; L115-H255 HydrophobicContact CB-CB 4.01Å; L115-H255 HydrophobicContact CD1-CB 3.87Å; L115-H255 HydrophobicContact CG-CB 4.46Å; L115-T259 WeakPolarHBondContact CD1-OG1 3.18Å |
| 116 | G | 94.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M112 C120 | M112-G116 PolarHBondContact O-N 3.12Å; G116-C120 VanDerWaalsContact O-CB 3.28Å; G116-C120 WeakPolarHBondContact O-CB 3.27Å; G116-C120 PolarHBondContact O-N 3.32Å |
| 117 | F | 94.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 174.5 | -176.8 | -104.6 | 0 | 0 | 0 | 111.7 | L113 A114 C120 L121 F223 | L113-F117 VanDerWaalsContact O-CB 3.22Å; L113-F117 WeakPolarHBondContact O-CB 3.47Å; L113-F117 PolarHBondContact O-N 3.14Å; A114-F117 PolarHBondContact O-N 2.98Å; F117-C120 PolarHBondContact O-N 3.32Å; F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE1-CG 4.25Å; F117-L121 HydrophobicContact CZ-CD1 3.77Å; F117-L121 HydrophobicContact CZ-CD2 4.49Å; F117-L121 HydrophobicContact CZ-CG 4.25Å; F117-L121 WeakPolarHBondContact O-CG 3.3Å; F117-L121 PolarHBondContact O-N 2.87Å; F117-F223 HydrophobicContact CD1-CD2 4.11Å; F117-F223 AromaticContact CD1-CE2 3.58Å; F117-F223 HydrophobicContact CD1-CE2 3.58Å; F117-F223 HydrophobicContact CD1-CZ 4.47Å; F117-F223 AromaticContact CE1-CE2 3.7Å; F117-F223 HydrophobicContact CE1-CE2 3.7Å; F117-F223 HydrophobicContact CE1-CZ 4.16Å |
| 118 | M | 94.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.9 | -50.6 | 171.8 | -74.4 | -62.6 | -159.7 | 0 | 0 | 112.5 | A114 L115 C120 L121 S122 F223 E226 W227 Q232 | A114-M118 VanDerWaalsContact O-CG 3.3Å; A114-M118 WeakPolarHBondContact O-CG 3.32Å; A114-M118 PolarHBondContact O-N 3.45Å; L115-M118 WeakPolarHBondContact O-CB 3.28Å; L115-M118 PolarHBondContact O-N 2.93Å; M118-C120 VanDerWaalsContact C-N 3.32Å; M118-C120 PolarHBondContact O-N 2.81Å; M118-L121 PolarHBondContact O-N 3.45Å; M118-S122 VanDerWaalsContact O-CB 3.32Å; M118-S122 WeakPolarHBondContact O-CB 3.41Å; M118-S122 PolarHBondContact O-N 2.88Å; M118-S122 PolarHBondContact O-OG 2.89Å; M118-F223 HydrophobicContact CE-CD2 3.53Å; M118-F223 HydrophobicContact CE-CE2 3.8Å; M118-F223 HydrophobicContact CE-CG 4.08Å; M118-F223 WeakPolarHBondContact CE-O 3.35Å; M118-F223 HydrophobicContact CG-CD2 4.27Å; M118-F223 HydrophobicContact SD-CD2 3.99Å; M118-F223 HydrophobicContact SD-CE2 3.86Å; M118-E226 VanDerWaalsContact CE-C 3.48Å; M118-E226 HydrophobicContact CE-CB 3.59Å; M118-E226 HydrophobicContact CG-CB 4.31Å; M118-W227 HydrophobicContact CE-CB 3.88Å; M118-W227 HydrophobicContact CE-CD2 4.48Å; M118-W227 HydrophobicContact CE-CE3 3.78Å; M118-W227 HydrophobicContact SD-CE3 3.79Å; M118-W227 HydrophobicContact SD-CZ3 4.26Å; M118-Q232 PolarHBondContact SD-NE2 3.34Å |
| 119 | T | 94.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 180 | -57 | 0 | 0 | 0 | 0 | 110.1 | L115 S122 V123 H255 | L115-T119 WeakPolarHBondContact O-CB 2.89Å; L115-T119 PolarHBondContact O-N 3.48Å; L115-T119 PolarHBondContact O-OG1 3.4Å; T119-S122 PolarHBondContact O-N 2.95Å; T119-V123 HydrophobicContact CG2-CG2 4.34Å; T119-V123 WeakPolarHBondContact O-CB 3.35Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.42Å; T119-V123 PolarHBondContact O-N 2.89Å; T119-H255 PolarHBondContact OG1-CD2 3.47Å; T119-H255 VanDerWaalsContact OG1-CD2 3.26Å; T119-H255 PolarHBondContact OG1-NE2 2.81Å |
| 120 | C | 94.8 | Very high | 92.4 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.2 | -48.4 | 178 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | G116 F117 M118 S122 L124 | G116-C120 VanDerWaalsContact O-CB 3.28Å; G116-C120 WeakPolarHBondContact O-CB 3.27Å; G116-C120 PolarHBondContact O-N 3.32Å; F117-C120 PolarHBondContact O-N 3.32Å; M118-C120 VanDerWaalsContact C-N 3.32Å; M118-C120 PolarHBondContact O-N 2.81Å; C120-S122 VanDerWaalsContact C-N 3.34Å; C120-S122 PolarHBondContact O-N 3.39Å; C120-L124 VanDerWaalsContact O-CB 3.26Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.33Å |
| 121 | L | 94.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.6 | -71.5 | -179 | 0 | 0 | 0 | 112.2 | F117 M118 L124 F125 W227 | F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE1-CG 4.25Å; F117-L121 HydrophobicContact CZ-CD1 3.77Å; F117-L121 HydrophobicContact CZ-CD2 4.49Å; F117-L121 HydrophobicContact CZ-CG 4.25Å; F117-L121 WeakPolarHBondContact O-CG 3.3Å; F117-L121 PolarHBondContact O-N 2.87Å; M118-L121 PolarHBondContact O-N 3.45Å; L121-L124 PolarHBondContact O-N 3.49Å; L121-F125 HydrophobicContact CB-CE2 4.35Å; L121-F125 WeakPolarHBondContact O-CD2 3.15Å; L121-F125 WeakPolarHBondContact O-CG 3.45Å; L121-F125 PolarHBondContact O-N 3.46Å; L121-W227 HydrophobicContact CD1-CH2 4.23Å; L121-W227 HydrophobicContact CD1-CZ3 3.93Å |
| 122 | S | 94.6 | Very high | 91 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -46.5 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | M118 T119 C120 L124 F125 G126 Q232 I236 | M118-S122 VanDerWaalsContact O-CB 3.32Å; M118-S122 WeakPolarHBondContact O-CB 3.41Å; M118-S122 PolarHBondContact O-N 2.88Å; M118-S122 PolarHBondContact O-OG 2.89Å; T119-S122 PolarHBondContact O-N 2.95Å; C120-S122 VanDerWaalsContact C-N 3.34Å; C120-S122 PolarHBondContact O-N 3.39Å; S122-L124 VanDerWaalsContact C-N 3.35Å; S122-F125 PolarHBondContact O-N 3.18Å; S122-G126 PolarHBondContact O-N 3.35Å; S122-Q232 WeakPolarHBondContact OG-CG 3.37Å; S122-I236 WeakPolarHBondContact O-CA 3.06Å; S122-I236 WeakPolarHBondContact O-CG1 3.49Å |
| 123 | V | 94.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | T119 G126 Y127 T235 A239 P244 V247 A248 | T119-V123 HydrophobicContact CG2-CG2 4.34Å; T119-V123 WeakPolarHBondContact O-CB 3.35Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.42Å; T119-V123 PolarHBondContact O-N 2.89Å; V123-G126 PolarHBondContact O-N 2.8Å; V123-Y127 VanDerWaalsContact O-CB 3.27Å; V123-Y127 WeakPolarHBondContact O-CB 3.36Å; V123-Y127 PolarHBondContact O-N 2.74Å; V123-T235 HydrophobicContact CG2-CG2 3.95Å; V123-A239 HydrophobicContact CB-CB 4.28Å; V123-A239 HydrophobicContact CG1-CB 4.16Å; V123-A239 HydrophobicContact CG2-CB 4.24Å; V123-P244 HydrophobicContact CG1-CB 3.87Å; V123-V247 HydrophobicContact CG2-CG1 4.05Å; V123-A248 HydrophobicContact CG1-CB 4.4Å; V123-A248 HydrophobicContact CG2-CB 4.02Å |
| 124 | L | 93.8 | Very high | 89.7 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.1 | -178.6 | 62.3 | 0 | 0 | 0 | 112.2 | C120 L121 S122 A128 | C120-L124 VanDerWaalsContact O-CB 3.26Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.33Å; L121-L124 PolarHBondContact O-N 3.49Å; S122-L124 VanDerWaalsContact C-N 3.35Å; L124-A128 WeakPolarHBondContact O-CB 3.24Å; L124-A128 PolarHBondContact O-N 3.25Å |
| 125 | F | 92.9 | Very high | 89.1 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 48% | 0.482 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.3 | -71.2 | -47.4 | 0 | 0 | 0 | 111.8 | L121 S122 Y127 A128 T129 I236 | L121-F125 HydrophobicContact CB-CE2 4.35Å; L121-F125 WeakPolarHBondContact O-CD2 3.15Å; L121-F125 WeakPolarHBondContact O-CG 3.45Å; L121-F125 PolarHBondContact O-N 3.46Å; S122-F125 PolarHBondContact O-N 3.18Å; F125-Y127 PolarHBondContact O-N 2.94Å; F125-A128 PolarHBondContact O-N 3.33Å; F125-T129 WeakPolarHBondContact O-CG2 3.42Å; F125-T129 PolarHBondContact O-N 3.18Å; F125-I236 HydrophobicContact CB-CD1 4.42Å; F125-I236 HydrophobicContact CB-CG1 4.2Å; F125-I236 HydrophobicContact CB-CG2 4.38Å; F125-I236 HydrophobicContact CD2-CD1 4.49Å |
| 126 | G | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S122 V123 A128 T129 I236 A240 | S122-G126 PolarHBondContact O-N 3.35Å; V123-G126 PolarHBondContact O-N 2.8Å; G126-A128 PolarHBondContact O-N 2.57Å; G126-T129 PolarHBondContact O-N 3.01Å; G126-T129 VanDerWaalsContact O-N 3.09Å; G126-T129 PolarHBondContact O-OG1 3.4Å; G126-I236 WeakPolarHBondContact CA-O 3.37Å; G126-A240 WeakPolarHBondContact O-CA 3.47Å |
| 127 | Y | 88.4 | Confident | 88.2 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 55% | 0.549 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.1 | -176.3 | -105.4 | 0 | 0 | 0 | 112.5 | V123 F125 T129 T130 P244 | V123-Y127 VanDerWaalsContact O-CB 3.27Å; V123-Y127 WeakPolarHBondContact O-CB 3.36Å; V123-Y127 PolarHBondContact O-N 2.74Å; F125-Y127 PolarHBondContact O-N 2.94Å; Y127-T129 VanDerWaalsContact C-N 3.26Å; Y127-T129 PolarHBondContact O-N 2.86Å; Y127-T130 HydrophobicContact CD2-CG2 4.48Å; Y127-T130 VanDerWaalsContact O-CB 3.32Å; Y127-T130 WeakPolarHBondContact O-CB 3.37Å; Y127-T130 VanDerWaalsContact O-CG2 3.28Å; Y127-T130 WeakPolarHBondContact O-CG2 3.4Å; Y127-T130 PolarHBondContact O-N 2.84Å; Y127-T130 PolarHBondContact O-OG1 2.87Å; Y127-P244 HydrophobicContact CD2-CG 4.03Å |
| 128 | A | 88 | Confident | 87.7 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L124 F125 G126 T130 I131 | L124-A128 WeakPolarHBondContact O-CB 3.24Å; L124-A128 PolarHBondContact O-N 3.25Å; F125-A128 PolarHBondContact O-N 3.33Å; G126-A128 PolarHBondContact O-N 2.57Å; A128-T130 PolarHBondContact O-N 3.01Å; A128-I131 WeakPolarHBondContact O-CG1 2.95Å |
| 129 | T | 82.3 | Confident | 87.5 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 27% | 0.27 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -73 | -5.5 | 174.1 | 63 | 0 | 0 | 0 | 0 | 114.7 | F125 G126 Y127 I131 I132 A240 | F125-T129 WeakPolarHBondContact O-CG2 3.42Å; F125-T129 PolarHBondContact O-N 3.18Å; G126-T129 PolarHBondContact O-N 3.01Å; G126-T129 VanDerWaalsContact O-N 3.09Å; G126-T129 PolarHBondContact O-OG1 3.4Å; Y127-T129 VanDerWaalsContact C-N 3.26Å; Y127-T129 PolarHBondContact O-N 2.86Å; T129-I131 PolarHBondContact O-N 3.28Å; T129-I131 VanDerWaalsContact O-N 3.15Å; T129-I132 HydrophobicContact CG2-CD1 4.32Å; T129-I132 VanDerWaalsContact O-CB 3.26Å; T129-I132 WeakPolarHBondContact O-CB 3.42Å; T129-I132 PolarHBondContact O-N 3.5Å; T129-A240 WeakPolarHBondContact OG1-CB 3.35Å |
| 130 | T | 78.3 | Confident | 87.2 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -65.1 | -13.4 | 173 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | Y127 A128 I132 | Y127-T130 HydrophobicContact CD2-CG2 4.48Å; Y127-T130 VanDerWaalsContact O-CB 3.32Å; Y127-T130 WeakPolarHBondContact O-CB 3.37Å; Y127-T130 VanDerWaalsContact O-CG2 3.28Å; Y127-T130 WeakPolarHBondContact O-CG2 3.4Å; Y127-T130 PolarHBondContact O-N 2.84Å; Y127-T130 PolarHBondContact O-OG1 2.87Å; A128-T130 PolarHBondContact O-N 3.01Å; T130-I132 PolarHBondContact O-N 2.96Å |
| 131 | I | 81.3 | Confident | 86.8 | Confident | 152 Ų | 152 | 72.6 Ų | 72.6 | 78% | 0.779 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -66.1 | -25.2 | 168.8 | -57.9 | 171.9 | 0 | 0 | 0 | 111.1 | A128 T129 | A128-I131 WeakPolarHBondContact O-CG1 2.95Å; T129-I131 PolarHBondContact O-N 3.28Å; T129-I131 VanDerWaalsContact O-N 3.15Å |
| 132 | I | 79.7 | Confident | 86.6 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -79.6 | 132.3 | 175.6 | -54.3 | 176.7 | 0 | 0 | 0 | 108.4 | T129 T130 R134 Y136 T137 | T129-I132 HydrophobicContact CG2-CD1 4.32Å; T129-I132 VanDerWaalsContact O-CB 3.26Å; T129-I132 WeakPolarHBondContact O-CB 3.42Å; T129-I132 PolarHBondContact O-N 3.5Å; T130-I132 PolarHBondContact O-N 2.96Å; I132-R134 PolarHBondContact O-N 2.82Å; I132-Y136 HydrophobicContact CG2-CD2 4.33Å; I132-T137 HydrophobicContact CB-CG2 4.05Å; I132-T137 HydrophobicContact CG2-CG2 4.17Å |
| 133 | P | 82.8 | Confident | 86.5 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | trans | -54.2 | 133.7 | -179.4 | -26.8 | 33.2 | 0 | 0 | 0 | 112.8 | I135 Y136 | P133-I135 HydrophobicContact CB-CG2 4.27Å; P133-I135 PolarHBondContact O-N 2.69Å; P133-Y136 HydrophobicContact CB-CD2 3.83Å; P133-Y136 HydrophobicContact CB-CE2 4.09Å; P133-Y136 HydrophobicContact CG-CD2 4.03Å; P133-Y136 HydrophobicContact CG-CE2 4.06Å; P133-Y136 PolarHBondContact O-N 2.95Å | ||
| 134 | R | 80.4 | Confident | 86.4 | Confident | 156 Ų | 156 | 75.4 Ų | 75.4 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -52.2 | -28.5 | -172.5 | 180 | 173.8 | -84 | -92.5 | -4.3 | 114.1 | I132 Y136 T137 Y138 R241 | I132-R134 PolarHBondContact O-N 2.82Å; R134-Y136 PolarHBondContact O-N 3.16Å; R134-T137 WeakPolarHBondContact CA-OG1 3.41Å; R134-T137 PolarHBondContact O-OG1 3.1Å; R134-T137 VanDerWaalsContact O-OG1 3.1Å; R134-Y138 VanDerWaalsContact O-CB 3.24Å; R134-Y138 WeakPolarHBondContact O-CB 3.34Å; R134-Y138 PolarHBondContact O-N 3.16Å; R134-R241 PolarHBondContact NH1-O 2.9Å; R134-R241 PolarHBondContact NH2-O 3.11Å |
| 135 | I | 82.1 | Confident | 86.3 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.6 | -168.1 | 59.8 | 0 | 0 | 0 | 113.1 | P133 Y139 P298 | P133-I135 HydrophobicContact CB-CG2 4.27Å; P133-I135 PolarHBondContact O-N 2.69Å; I135-Y139 HydrophobicContact CD1-CD2 4.12Å; I135-Y139 HydrophobicContact CD1-CE2 3.45Å; I135-Y139 VanDerWaalsContact CD1-CE2 3.45Å; I135-Y139 HydrophobicContact CG1-CD2 4.15Å; I135-Y139 HydrophobicContact CG1-CE2 3.76Å; I135-Y139 WeakPolarHBondContact O-CD2 3.15Å; I135-Y139 PolarHBondContact O-N 3.02Å; I135-P298 HydrophobicContact CD1-CB 3.84Å; I135-P298 HydrophobicContact CD1-CG 3.38Å |
| 136 | Y | 85.1 | Confident | 86.4 | Confident | 148 Ų | 148 | 67.1 Ų | 67.1 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -76.8 | -44.2 | 178.8 | -61.3 | -68.6 | 0 | 0 | 0 | 111.2 | I132 P133 R134 Y138 Y139 V140 | I132-Y136 HydrophobicContact CG2-CD2 4.33Å; P133-Y136 HydrophobicContact CB-CD2 3.83Å; P133-Y136 HydrophobicContact CB-CE2 4.09Å; P133-Y136 HydrophobicContact CG-CD2 4.03Å; P133-Y136 HydrophobicContact CG-CE2 4.06Å; P133-Y136 PolarHBondContact O-N 2.95Å; R134-Y136 PolarHBondContact O-N 3.16Å; Y136-Y138 PolarHBondContact O-N 3.08Å; Y136-Y139 PolarHBondContact O-N 3.05Å; Y136-V140 VanDerWaalsContact O-CB 3.31Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 VanDerWaalsContact O-CG2 3.26Å; Y136-V140 WeakPolarHBondContact O-CG2 3.42Å; Y136-V140 PolarHBondContact O-N 3.47Å |
| 137 | T | 84.4 | Confident | 86.6 | Confident | 18 Ų | 18 | 72 Ų | 72 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -34.3 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | I132 R134 S141 | I132-T137 HydrophobicContact CB-CG2 4.05Å; I132-T137 HydrophobicContact CG2-CG2 4.17Å; R134-T137 WeakPolarHBondContact CA-OG1 3.41Å; R134-T137 PolarHBondContact O-OG1 3.1Å; R134-T137 VanDerWaalsContact O-OG1 3.1Å; T137-S141 WeakPolarHBondContact O-CB 3.46Å; T137-S141 PolarHBondContact O-N 2.99Å; T137-S141 PolarHBondContact O-OG 3.31Å |
| 138 | Y | 85.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -58.7 | 172.6 | -164.7 | -97.9 | 0 | 0 | 0 | 113.5 | R134 Y136 V140 S141 T142 A293 I296 P298 | R134-Y138 VanDerWaalsContact O-CB 3.24Å; R134-Y138 WeakPolarHBondContact O-CB 3.34Å; R134-Y138 PolarHBondContact O-N 3.16Å; Y136-Y138 PolarHBondContact O-N 3.08Å; Y138-V140 PolarHBondContact O-N 2.98Å; Y138-S141 PolarHBondContact O-N 3.49Å; Y138-S141 PolarHBondContact O-OG 2.93Å; Y138-T142 PolarHBondContact O-N 3.26Å; Y138-T142 PolarHBondContact O-OG1 3.29Å; Y138-A293 HydrophobicContact CE1-CB 4.46Å; Y138-A293 WeakPolarHBondContact CE1-O 3.29Å; Y138-A293 HydrophobicContact CE2-CB 4.49Å; Y138-A293 VanDerWaalsContact OH-CA 3.28Å; Y138-A293 WeakPolarHBondContact OH-CA 3.38Å; Y138-A293 PolarHBondContact OH-O 2.78Å; Y138-I296 WeakPolarHBondContact OH-CB 3.33Å; Y138-I296 PolarHBondContact OH-O 3.03Å; Y138-P298 HydrophobicContact CD1-CB 3.87Å; Y138-P298 HydrophobicContact CD1-CG 3.75Å; Y138-P298 HydrophobicContact CD2-CB 4.34Å; Y138-P298 HydrophobicContact CE1-CB 4.16Å; Y138-P298 HydrophobicContact CE1-CG 3.97Å; Y138-P298 HydrophobicContact CG-CB 3.96Å; Y138-P298 HydrophobicContact CG-CG 4.32Å |
| 139 | Y | 88.6 | Confident | 87.1 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | -178.7 | -71.4 | -58.4 | 0 | 0 | 0 | 112.8 | I135 Y136 T142 A143 | I135-Y139 HydrophobicContact CD1-CD2 4.12Å; I135-Y139 HydrophobicContact CD1-CE2 3.45Å; I135-Y139 VanDerWaalsContact CD1-CE2 3.45Å; I135-Y139 HydrophobicContact CG1-CD2 4.15Å; I135-Y139 HydrophobicContact CG1-CE2 3.76Å; I135-Y139 WeakPolarHBondContact O-CD2 3.15Å; I135-Y139 PolarHBondContact O-N 3.02Å; Y136-Y139 PolarHBondContact O-N 3.05Å; Y139-T142 PolarHBondContact O-N 3.07Å; Y139-A143 WeakPolarHBondContact O-CB 3.48Å; Y139-A143 PolarHBondContact O-N 2.89Å |
| 140 | V | 88.8 | Confident | 87.7 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Y136 Y138 T142 A143 L144 | Y136-V140 VanDerWaalsContact O-CB 3.31Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 VanDerWaalsContact O-CG2 3.26Å; Y136-V140 WeakPolarHBondContact O-CG2 3.42Å; Y136-V140 PolarHBondContact O-N 3.47Å; Y138-V140 PolarHBondContact O-N 2.98Å; V140-T142 PolarHBondContact O-N 3.49Å; V140-A143 PolarHBondContact O-N 2.88Å; V140-L144 HydrophobicContact CG1-CD1 3.62Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CB 3.35Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 3.32Å |
| 141 | S | 87 | Confident | 88.5 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.3 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | T137 Y138 L144 F145 I237 | T137-S141 WeakPolarHBondContact O-CB 3.46Å; T137-S141 PolarHBondContact O-N 2.99Å; T137-S141 PolarHBondContact O-OG 3.31Å; Y138-S141 PolarHBondContact O-N 3.49Å; Y138-S141 PolarHBondContact O-OG 2.93Å; S141-L144 PolarHBondContact O-N 2.83Å; S141-F145 WeakPolarHBondContact O-CB 3.37Å; S141-F145 PolarHBondContact O-N 3.24Å; S141-I237 VanDerWaalsContact CA-CG2 3.49Å |
| 142 | T | 90.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | Y138 Y139 V140 A146 A290 A293 L294 | Y138-T142 PolarHBondContact O-N 3.26Å; Y138-T142 PolarHBondContact O-OG1 3.29Å; Y139-T142 PolarHBondContact O-N 3.07Å; V140-T142 PolarHBondContact O-N 3.49Å; T142-A146 WeakPolarHBondContact O-CB 3.42Å; T142-A146 PolarHBondContact O-N 2.89Å; T142-A290 WeakPolarHBondContact CG2-O 3.31Å; T142-A293 HydrophobicContact CG2-CB 4.13Å; T142-A293 WeakPolarHBondContact OG1-CB 3Å; T142-L294 HydrophobicContact CG2-CD2 3.86Å; T142-L294 HydrophobicContact CG2-CG 3.94Å |
| 143 | A | 92.9 | Very high | 89.8 | Confident | 50 Ų | 50 | 61.4 Ų | 61.4 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y139 V140 A146 I147 | Y139-A143 WeakPolarHBondContact O-CB 3.48Å; Y139-A143 PolarHBondContact O-N 2.89Å; V140-A143 PolarHBondContact O-N 2.88Å; A143-A146 PolarHBondContact O-N 3.33Å; A143-I147 WeakPolarHBondContact O-CB 3.43Å; A143-I147 WeakPolarHBondContact O-CD1 3.41Å; A143-I147 WeakPolarHBondContact O-CG1 3.47Å; A143-I147 PolarHBondContact O-N 2.91Å |
| 144 | L | 91.1 | Very high | 90.3 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 29% | 0.293 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 179.6 | -73.8 | 170.4 | 0 | 0 | 0 | 112 | V140 S141 A146 I147 F148 I237 | V140-L144 HydrophobicContact CG1-CD1 3.62Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CB 3.35Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 3.32Å; S141-L144 PolarHBondContact O-N 2.83Å; L144-A146 PolarHBondContact O-N 2.91Å; L144-I147 PolarHBondContact O-N 3.24Å; L144-F148 HydrophobicContact CB-CE2 4.33Å; L144-F148 WeakPolarHBondContact O-CD2 3.33Å; L144-F148 WeakPolarHBondContact O-CG 3.27Å; L144-F148 PolarHBondContact O-N 2.86Å; L144-I237 HydrophobicContact CB-CD1 3.74Å; L144-I237 HydrophobicContact CD1-CD1 3.47Å; L144-I237 VanDerWaalsContact CD1-CD1 3.47Å; L144-I237 HydrophobicContact CD1-CG1 4.06Å; L144-I237 HydrophobicContact CG-CD1 4.22Å |
| 145 | F | 91.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 172.8 | -82.1 | -28.9 | 0 | 0 | 0 | 112.7 | V81 S141 G149 A234 L238 F286 F289 A290 | V81-F145 HydrophobicContact CG2-CE1 4.47Å; V81-F145 HydrophobicContact CG2-CZ 4.42Å; S141-F145 WeakPolarHBondContact O-CB 3.37Å; S141-F145 PolarHBondContact O-N 3.24Å; F145-G149 PolarHBondContact O-N 3.45Å; F145-A234 HydrophobicContact CE1-CB 4.21Å; F145-L238 HydrophobicContact CE1-CD1 4.16Å; F145-L238 HydrophobicContact CZ-CD1 3.64Å; F145-F286 AromaticContact CD1-CD1 3.52Å; F145-F286 HydrophobicContact CD1-CD1 3.52Å; F145-F286 AromaticContact CD1-CE1 3.77Å; F145-F286 HydrophobicContact CD1-CE1 3.77Å; F145-F286 HydrophobicContact CD1-CG 4.46Å; F145-F286 HydrophobicContact CE1-CD1 4.04Å; F145-F286 AromaticContact CE1-CE1 3.95Å; F145-F286 HydrophobicContact CE1-CE1 3.95Å; F145-F286 HydrophobicContact CG-CD1 4.45Å; F145-F289 HydrophobicContact CD2-CB 3.7Å; F145-F289 HydrophobicContact CE2-CB 3.65Å; F145-F289 HydrophobicContact CE2-CD1 4.42Å; F145-F289 HydrophobicContact CE2-CG 4.05Å; F145-F289 HydrophobicContact CG-CB 4.33Å; F145-F289 HydrophobicContact CZ-CB 4.27Å; F145-F289 HydrophobicContact CZ-CG 4.34Å; F145-A290 HydrophobicContact CB-CB 3.96Å |
| 146 | A | 94.8 | Very high | 91.3 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T142 A143 L144 G149 V150 A290 | T142-A146 WeakPolarHBondContact O-CB 3.42Å; T142-A146 PolarHBondContact O-N 2.89Å; A143-A146 PolarHBondContact O-N 3.33Å; L144-A146 PolarHBondContact O-N 2.91Å; A146-G149 PolarHBondContact O-N 3.01Å; A146-V150 WeakPolarHBondContact O-CB 3.39Å; A146-V150 WeakPolarHBondContact O-CG2 3.12Å; A146-V150 PolarHBondContact O-N 3.48Å; A146-A290 HydrophobicContact CB-CB 3.94Å |
| 147 | I | 94.8 | Very high | 91.6 | Very high | 103 Ų | 103 | 55.6 Ų | 55.6 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.5 | -71 | 162.6 | 0 | 0 | 0 | 111.1 | A143 L144 R151 | A143-I147 WeakPolarHBondContact O-CB 3.43Å; A143-I147 WeakPolarHBondContact O-CD1 3.41Å; A143-I147 WeakPolarHBondContact O-CG1 3.47Å; A143-I147 PolarHBondContact O-N 2.91Å; L144-I147 PolarHBondContact O-N 3.24Å; I147-R151 WeakPolarHBondContact O-CB 3.36Å; I147-R151 PolarHBondContact O-N 3.47Å |
| 148 | F | 92.9 | Very high | 92 | Very high | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.5 | -69.4 | -46.6 | 0 | 0 | 0 | 111.7 | L144 R151 M152 R230 L233 I237 F286 | L144-F148 HydrophobicContact CB-CE2 4.33Å; L144-F148 WeakPolarHBondContact O-CD2 3.33Å; L144-F148 WeakPolarHBondContact O-CG 3.27Å; L144-F148 PolarHBondContact O-N 2.86Å; F148-R151 PolarHBondContact O-N 3.13Å; F148-M152 WeakPolarHBondContact O-CB 3.4Å; F148-M152 WeakPolarHBondContact O-CG 3.42Å; F148-M152 PolarHBondContact O-N 3.25Å; F148-R230 HydrophobicContact CD1-CG 4.24Å; F148-R230 HydrophobicContact CE1-CG 4.36Å; F148-L233 HydrophobicContact CE1-CD1 4.5Å; F148-L233 HydrophobicContact CE2-CB 4.1Å; F148-L233 HydrophobicContact CZ-CB 3.91Å; F148-L233 HydrophobicContact CZ-CD1 3.76Å; F148-L233 HydrophobicContact CZ-CG 4.49Å; F148-I237 HydrophobicContact CE2-CD1 4.5Å; F148-F286 HydrophobicContact CB-CD1 3.5Å; F148-F286 HydrophobicContact CB-CE1 3.76Å; F148-F286 HydrophobicContact CB-CG 4.34Å; F148-F286 HydrophobicContact CD2-CD1 4.28Å; F148-F286 AromaticContact CD2-CE1 3.93Å; F148-F286 HydrophobicContact CD2-CE1 3.93Å; F148-F286 HydrophobicContact CG-CD1 4.34Å; F148-F286 HydrophobicContact CG-CE1 4.18Å |
| 149 | G | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | F145 A146 R151 L153 G283 | F145-G149 PolarHBondContact O-N 3.45Å; A146-G149 PolarHBondContact O-N 3.01Å; G149-R151 PolarHBondContact O-N 2.82Å; G149-L153 VanDerWaalsContact O-CB 3.27Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 PolarHBondContact O-N 3.45Å; G149-G283 WeakPolarHBondContact CA-O 3.4Å; G149-G283 WeakPolarHBondContact O-CA 3.34Å |
| 150 | V | 96.3 | Very high | 92.2 | Very high | 87 Ų | 87 | 57 Ų | 57 | 53% | 0.527 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A146 R154 L287 | A146-V150 WeakPolarHBondContact O-CB 3.39Å; A146-V150 WeakPolarHBondContact O-CG2 3.12Å; A146-V150 PolarHBondContact O-N 3.48Å; V150-R154 VanDerWaalsContact O-CB 3.3Å; V150-R154 WeakPolarHBondContact O-CB 3.3Å; V150-R154 PolarHBondContact O-N 3.47Å; V150-L287 HydrophobicContact CG2-CD2 3.97Å |
| 151 | R | 94.3 | Very high | 91.9 | Very high | 158 Ų | 158 | 57.9 Ų | 57.9 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.3 | -54.4 | 178.8 | 179.3 | 176.4 | 173.9 | 144.3 | -1.4 | 111.1 | I147 F148 G149 L153 R154 E155 | I147-R151 WeakPolarHBondContact O-CB 3.36Å; I147-R151 PolarHBondContact O-N 3.47Å; F148-R151 PolarHBondContact O-N 3.13Å; G149-R151 PolarHBondContact O-N 2.82Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 2.78Å; R151-R154 PolarHBondContact O-N 3.47Å; R151-E155 IonicContact NE-OE2 2.82Å; R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.27Å; R151-E155 PolarHBondContact O-N 3.04Å |
| 152 | M | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 178.4 | -71.9 | -178.4 | 76.2 | 0 | 0 | 111.4 | F148 R154 E155 G156 T279 F286 | F148-M152 WeakPolarHBondContact O-CB 3.4Å; F148-M152 WeakPolarHBondContact O-CG 3.42Å; F148-M152 PolarHBondContact O-N 3.25Å; M152-R154 PolarHBondContact O-N 3.38Å; M152-E155 WeakPolarHBondContact O-CB 3.43Å; M152-E155 PolarHBondContact O-N 3.43Å; M152-G156 PolarHBondContact O-N 3.5Å; M152-T279 HydrophobicContact CB-CG2 4.12Å; M152-T279 HydrophobicContact CE-CG2 4.35Å; M152-T279 HydrophobicContact CG-CG2 4.5Å; M152-T279 WeakPolarHBondContact O-CG2 3.5Å; M152-F286 HydrophobicContact SD-CD2 4.13Å; M152-F286 HydrophobicContact SD-CE2 4.13Å |
| 153 | L | 94.4 | Very high | 91.8 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.5 | -172.7 | 60.8 | 0 | 0 | 0 | 111.7 | G149 R151 E155 L157 I280 L287 | G149-L153 VanDerWaalsContact O-CB 3.27Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 PolarHBondContact O-N 3.45Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 2.78Å; L153-E155 VanDerWaalsContact C-N 3.35Å; L153-L157 HydrophobicContact CD1-CD1 4.26Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.04Å; L153-L157 VanDerWaalsContact O-CB 3.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 WeakPolarHBondContact O-CG 3.1Å; L153-L157 PolarHBondContact O-N 3.19Å; L153-I280 HydrophobicContact CD1-CG2 4Å; L153-L287 HydrophobicContact CD2-CD1 4.1Å |
| 154 | R | 95.3 | Very high | 91.4 | Very high | 167 Ų | 167 | 62.7 Ų | 62.7 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.1 | -34.7 | 176.4 | -171.9 | -177.3 | -172.3 | -157.1 | 3.4 | 112.8 | V150 R151 M152 K158 | V150-R154 VanDerWaalsContact O-CB 3.3Å; V150-R154 WeakPolarHBondContact O-CB 3.3Å; V150-R154 PolarHBondContact O-N 3.47Å; R151-R154 PolarHBondContact O-N 3.47Å; M152-R154 PolarHBondContact O-N 3.38Å; R154-K158 VanDerWaalsContact O-CG 3.29Å; R154-K158 WeakPolarHBondContact O-CG 3.16Å; R154-K158 PolarHBondContact O-N 3.4Å |
| 155 | E | 92.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.2 | -58.8 | 177.4 | -166.7 | 174.7 | 128.6 | 0 | 0 | 109.5 | R151 M152 L153 L157 K158 M159 R230 T279 | R151-E155 IonicContact NE-OE2 2.82Å; R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.27Å; R151-E155 PolarHBondContact O-N 3.04Å; M152-E155 WeakPolarHBondContact O-CB 3.43Å; M152-E155 PolarHBondContact O-N 3.43Å; L153-E155 VanDerWaalsContact C-N 3.35Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 2.91Å; E155-K158 WeakPolarHBondContact O-CA 3.29Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 3.38Å; E155-M159 HydrophobicContact CG-CE 4.03Å; E155-M159 WeakPolarHBondContact O-CG 3.5Å; E155-M159 PolarHBondContact O-N 3.44Å; E155-R230 IonicContact OE1-CZ 3.99Å; E155-R230 IonicContact OE1-NH1 3.74Å; E155-R230 PolarHBondContact OE1-NH1 2.99Å; E155-R230 IonicContact OE2-NH1 3.97Å; E155-R230 PolarHBondContact OE2-NH1 2.96Å; E155-T279 HydrophobicContact CB-CG2 4.28Å; E155-T279 HydrophobicContact CG-CG2 4.42Å |
| 156 | G | 90.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M152 K158 R276 | M152-G156 PolarHBondContact O-N 3.5Å; G156-K158 VanDerWaalsContact C-N 3.26Å; G156-K158 PolarHBondContact O-N 3.47Å; G156-R276 VanDerWaalsContact O-CG 3.28Å; G156-R276 WeakPolarHBondContact O-CG 3.3Å; G156-R276 PolarHBondContact O-NE 2.94Å |
| 157 | L | 92.1 | Very high | 90.8 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -28.9 | 172.6 | -76.3 | 173.3 | 0 | 0 | 0 | 112.8 | L153 E155 R276 I280 | L153-L157 HydrophobicContact CD1-CD1 4.26Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.04Å; L153-L157 VanDerWaalsContact O-CB 3.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 WeakPolarHBondContact O-CG 3.1Å; L153-L157 PolarHBondContact O-N 3.19Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 2.91Å; L157-R276 PolarHBondContact O-NH2 3.01Å; L157-I280 HydrophobicContact CD2-CD1 4.36Å |
| 158 | K | 92.4 | Very high | 90.6 | Very high | 153 Ų | 153 | 62.2 Ų | 62.2 | 67% | 0.665 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -88.5 | -27.7 | 178.4 | -74.9 | 177 | 170 | -164.3 | 0 | 114.6 | R154 E155 G156 | R154-K158 VanDerWaalsContact O-CG 3.29Å; R154-K158 WeakPolarHBondContact O-CG 3.16Å; R154-K158 PolarHBondContact O-N 3.4Å; E155-K158 WeakPolarHBondContact O-CA 3.29Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 3.38Å; G156-K158 VanDerWaalsContact C-N 3.26Å; G156-K158 PolarHBondContact O-N 3.47Å |
| 159 | M | 89.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 66.4 Ų | 66.4 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -54.4 | 144.9 | -179.5 | -77.7 | 167.1 | 158 | 0 | 0 | 112.2 | E155 E163 V275 R276 T279 | E155-M159 HydrophobicContact CG-CE 4.03Å; E155-M159 WeakPolarHBondContact O-CG 3.5Å; E155-M159 PolarHBondContact O-N 3.44Å; M159-E163 VanDerWaalsContact CA-OE2 3.27Å; M159-E163 WeakPolarHBondContact CA-OE2 3.24Å; M159-E163 HydrophobicContact CB-CB 4.41Å; M159-E163 HydrophobicContact CB-CG 4.33Å; M159-E163 WeakPolarHBondContact CB-OE2 3.48Å; M159-E163 HydrophobicContact CE-CG 4.35Å; M159-E163 HydrophobicContact CG-CG 4.01Å; M159-V275 HydrophobicContact CE-CG1 3.98Å; M159-V275 HydrophobicContact SD-CG1 4.18Å; M159-R276 HydrophobicContact CB-CB 4.07Å; M159-R276 HydrophobicContact CB-CG 4.25Å; M159-R276 WeakPolarHBondContact O-CD 3.26Å; M159-R276 PolarHBondContact O-NE 3.16Å; M159-T279 HydrophobicContact CE-CG2 4.5Å; M159-T279 HydrophobicContact SD-CG2 4.29Å |
| 160 | S | 88.8 | Confident | 90.3 | Very high | 35 Ų | 35 | 72 Ų | 72 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | trans | -71.3 | 164.5 | 171.3 | 87.4 | 0 | 0 | 0 | 0 | 110.3 | D162 E163 | S160-D162 PolarHBondContact O-N 2.92Å; S160-D162 PolarHBondContact OG-N 3.12Å; S160-D162 VanDerWaalsContact OG-N 3.08Å; S160-E163 PolarHBondContact N-OE2 2.88Å; S160-E163 PolarHBondContact OG-N 3.23Å | ||
| 161 | P | 82.5 | Confident | 90 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -63.5 | -24.4 | 167.9 | -20.8 | 34.5 | 0 | 0 | 0 | 113.2 | ||
| 162 | D | 85.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 57% | 0.572 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -101.9 | 0.7 | -170.2 | -58.1 | -56.1 | 0 | 0 | 0 | 113.2 | S160 G164 Q165 E166 | S160-D162 PolarHBondContact O-N 2.92Å; S160-D162 PolarHBondContact OG-N 3.12Å; S160-D162 VanDerWaalsContact OG-N 3.08Å; D162-G164 PolarHBondContact O-N 3.42Å; D162-Q165 WeakPolarHBondContact O-CA 3.1Å; D162-Q165 WeakPolarHBondContact O-CB 3.34Å; D162-Q165 PolarHBondContact O-N 3.46Å; D162-E166 PolarHBondContact O-N 3Å; D162-E166 VanDerWaalsContact O-N 3.16Å |
| 163 | E | 88 | Confident | 89.8 | Confident | 50 Ų | 50 | 67 Ų | 67 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -47.6 | -39.9 | -179.8 | -161.1 | 99.7 | -174.1 | 0 | 0 | 113.2 | M159 S160 Q165 E166 E167 | M159-E163 VanDerWaalsContact CA-OE2 3.27Å; M159-E163 WeakPolarHBondContact CA-OE2 3.24Å; M159-E163 HydrophobicContact CB-CB 4.41Å; M159-E163 HydrophobicContact CB-CG 4.33Å; M159-E163 WeakPolarHBondContact CB-OE2 3.48Å; M159-E163 HydrophobicContact CE-CG 4.35Å; M159-E163 HydrophobicContact CG-CG 4.01Å; S160-E163 PolarHBondContact N-OE2 2.88Å; S160-E163 PolarHBondContact OG-N 3.23Å; E163-Q165 VanDerWaalsContact C-N 3.29Å; E163-Q165 PolarHBondContact O-N 2.78Å; E163-E166 PolarHBondContact O-N 2.86Å; E163-E167 WeakPolarHBondContact O-CB 3.4Å; E163-E167 WeakPolarHBondContact O-CG 3.01Å; E163-E167 PolarHBondContact O-N 3.09Å |
| 164 | G | 84.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -20.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F93 D162 L168 V275 | F93-G164 VanDerWaalsContact CE1-O 3.32Å; F93-G164 WeakPolarHBondContact CE1-O 3.34Å; F93-G164 WeakPolarHBondContact CZ-O 3.38Å; D162-G164 PolarHBondContact O-N 3.42Å; G164-L168 VanDerWaalsContact O-CB 3.27Å; G164-L168 WeakPolarHBondContact O-CB 3.46Å; G164-L168 PolarHBondContact O-N 3.34Å; G164-V275 VanDerWaalsContact CA-CG2 3.49Å |
| 165 | Q | 88.2 | Confident | 89.2 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -81.9 | -38.3 | 170.8 | -177 | 60 | 34.9 | 0 | 0 | 110.6 | D162 E163 L168 E169 | D162-Q165 WeakPolarHBondContact O-CA 3.1Å; D162-Q165 WeakPolarHBondContact O-CB 3.34Å; D162-Q165 PolarHBondContact O-N 3.46Å; E163-Q165 VanDerWaalsContact C-N 3.29Å; E163-Q165 PolarHBondContact O-N 2.78Å; Q165-L168 PolarHBondContact O-N 3.48Å; Q165-E169 PolarHBondContact NE2-OE1 3.22Å; Q165-E169 WeakPolarHBondContact O-CG 3.46Å; Q165-E169 PolarHBondContact O-N 2.92Å |
| 166 | E | 89.1 | Confident | 89 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -52.4 | 174.7 | -64.7 | 176 | -150 | 0 | 0 | 110.6 | D162 E163 L168 E169 E170 | D162-E166 PolarHBondContact O-N 3Å; D162-E166 VanDerWaalsContact O-N 3.16Å; E163-E166 PolarHBondContact O-N 2.86Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.25Å; E166-E169 PolarHBondContact O-N 3.09Å; E166-E170 PolarHBondContact O-N 3.44Å |
| 167 | E | 89.1 | Confident | 89 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 175.3 | -76.1 | -73.2 | 174 | 0 | 0 | 113 | K90 F93 E163 E169 E170 V171 | K90-E167 WeakPolarHBondContact CE-OE1 3.2Å; K90-E167 WeakPolarHBondContact CG-OE2 3.39Å; K90-E167 IonicContact NZ-OE1 2.64Å; K90-E167 PolarHBondContact NZ-OE1 2.91Å; K90-E167 IonicContact NZ-OE2 2.62Å; K90-E167 PolarHBondContact NZ-OE2 3.43Å; F93-E167 HydrophobicContact CD2-CB 3.86Å; F93-E167 HydrophobicContact CE2-CB 3.89Å; E163-E167 WeakPolarHBondContact O-CB 3.4Å; E163-E167 WeakPolarHBondContact O-CG 3.01Å; E163-E167 PolarHBondContact O-N 3.09Å; E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.4Å; E167-E170 PolarHBondContact O-N 3.31Å; E167-V171 WeakPolarHBondContact O-CB 3.15Å; E167-V171 VanDerWaalsContact O-CG2 3.31Å; E167-V171 WeakPolarHBondContact O-CG2 3.21Å; E167-V171 PolarHBondContact O-N 2.8Å |
| 168 | L | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.7 | -177.5 | 73.9 | 0 | 0 | 0 | 111.9 | F93 I97 G164 Q165 E166 Q172 A270 Q271 | F93-L168 HydrophobicContact CD1-CB 4Å; F93-L168 HydrophobicContact CD1-CD1 3.79Å; F93-L168 HydrophobicContact CE1-CB 4.19Å; F93-L168 HydrophobicContact CE1-CD1 4.43Å; I97-L168 HydrophobicContact CD1-CD1 3.41Å; I97-L168 VanDerWaalsContact CD1-CD1 3.41Å; I97-L168 HydrophobicContact CD1-CG 4.09Å; I97-L168 HydrophobicContact CG1-CD1 3.89Å; G164-L168 VanDerWaalsContact O-CB 3.27Å; G164-L168 WeakPolarHBondContact O-CB 3.46Å; G164-L168 PolarHBondContact O-N 3.34Å; Q165-L168 PolarHBondContact O-N 3.48Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.25Å; L168-Q172 WeakPolarHBondContact O-CB 3.45Å; L168-Q172 PolarHBondContact O-N 3.25Å; L168-A270 HydrophobicContact CD1-CB 3.92Å; L168-Q271 HydrophobicContact CD2-CG 3.7Å |
| 169 | E | 90.5 | Very high | 88.1 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -75.1 | -40.3 | 178.9 | -75.1 | -178.9 | -161.4 | 0 | 0 | 112.5 | Q165 E166 E167 Q172 A173 | Q165-E169 PolarHBondContact NE2-OE1 3.22Å; Q165-E169 WeakPolarHBondContact O-CG 3.46Å; Q165-E169 PolarHBondContact O-N 2.92Å; E166-E169 PolarHBondContact O-N 3.09Å; E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.4Å; E169-Q172 PolarHBondContact O-N 3.11Å; E169-A173 WeakPolarHBondContact O-CB 3.21Å; E169-A173 PolarHBondContact O-N 2.62Å |
| 170 | E | 90.6 | Very high | 88 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.1 | -52.6 | 172.6 | -72.2 | -165.7 | 166.7 | 0 | 0 | 111.4 | K90 E166 E167 Q172 A173 E174 | K90-E170 IonicContact NZ-OE2 2.71Å; E166-E170 PolarHBondContact O-N 3.44Å; E167-E170 PolarHBondContact O-N 3.31Å; E170-Q172 VanDerWaalsContact C-N 3.31Å; E170-Q172 PolarHBondContact O-N 2.9Å; E170-A173 PolarHBondContact O-N 2.79Å; E170-A173 VanDerWaalsContact O-N 3.14Å; E170-E174 PolarHBondContact O-N 2.86Å |
| 171 | V | 90.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | F93 I94 I97 E167 A173 E174 I175 | F93-V171 HydrophobicContact CB-CG2 4.22Å; I94-V171 HydrophobicContact CB-CG1 4.3Å; I94-V171 HydrophobicContact CG1-CG1 3.66Å; I94-V171 HydrophobicContact CG1-CG2 4.18Å; I97-V171 HydrophobicContact CB-CG1 4.27Å; I97-V171 HydrophobicContact CG1-CG1 3.99Å; E167-V171 WeakPolarHBondContact O-CB 3.15Å; E167-V171 VanDerWaalsContact O-CG2 3.31Å; E167-V171 WeakPolarHBondContact O-CG2 3.21Å; E167-V171 PolarHBondContact O-N 2.8Å; V171-A173 VanDerWaalsContact C-N 3.35Å; V171-A173 PolarHBondContact O-N 3.43Å; V171-E174 PolarHBondContact O-N 3.45Å; V171-I175 HydrophobicContact CG1-CD1 3.76Å; V171-I175 WeakPolarHBondContact O-CB 3.05Å; V171-I175 WeakPolarHBondContact O-CG1 3.21Å; V171-I175 PolarHBondContact O-N 3.42Å |
| 172 | Q | 91.3 | Very high | 87.6 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 176.2 | -171.9 | -179.8 | -66.3 | 0 | 0 | 112.5 | I97 R101 L168 E169 E170 K176 | I97-Q172 HydrophobicContact CD1-CB 3.99Å; I97-Q172 HydrophobicContact CD1-CG 4.34Å; I97-Q172 HydrophobicContact CG1-CB 4.4Å; R101-Q172 PolarHBondContact NH2-O 3.19Å; L168-Q172 WeakPolarHBondContact O-CB 3.45Å; L168-Q172 PolarHBondContact O-N 3.25Å; E169-Q172 PolarHBondContact O-N 3.11Å; E170-Q172 VanDerWaalsContact C-N 3.31Å; E170-Q172 PolarHBondContact O-N 2.9Å; Q172-K176 WeakPolarHBondContact O-CB 3.24Å; Q172-K176 PolarHBondContact O-N 2.71Å |
| 173 | A | 91.4 | Very high | 87.3 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E169 E170 V171 K176 K177 | E169-A173 WeakPolarHBondContact O-CB 3.21Å; E169-A173 PolarHBondContact O-N 2.62Å; E170-A173 PolarHBondContact O-N 2.79Å; E170-A173 VanDerWaalsContact O-N 3.14Å; V171-A173 VanDerWaalsContact C-N 3.35Å; V171-A173 PolarHBondContact O-N 3.43Å; A173-K176 PolarHBondContact O-N 2.94Å; A173-K177 WeakPolarHBondContact O-CB 3.28Å; A173-K177 PolarHBondContact O-N 3.06Å |
| 174 | E | 89.5 | Confident | 87 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 178.9 | -160.1 | -158.6 | 144.4 | 0 | 0 | 111.8 | E170 V171 K176 K177 K178 | E170-E174 PolarHBondContact O-N 2.86Å; V171-E174 PolarHBondContact O-N 3.45Å; E174-K176 VanDerWaalsContact C-N 3.33Å; E174-K176 PolarHBondContact O-N 3.36Å; E174-K177 PolarHBondContact O-N 3.49Å; E174-K178 PolarHBondContact O-N 2.84Å; E174-K178 WeakPolarHBondContact OE1-CE 3.4Å; E174-K178 IonicContact OE1-NZ 3.95Å; E174-K178 PolarHBondContact OE1-NZ 3.11Å |
| 175 | I | 87.1 | Confident | 86.7 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.6 | -69.1 | 168.4 | 0 | 0 | 0 | 110.6 | I97 M98 V171 K177 K178 D179 L221 | I97-I175 HydrophobicContact CB-CD1 4Å; I97-I175 HydrophobicContact CG2-CD1 3.6Å; M98-I175 HydrophobicContact CG-CD1 3.98Å; M98-I175 HydrophobicContact SD-CD1 3.97Å; M98-I175 HydrophobicContact SD-CG1 4.44Å; M98-I175 HydrophobicContact SD-CG2 4.27Å; V171-I175 HydrophobicContact CG1-CD1 3.76Å; V171-I175 WeakPolarHBondContact O-CB 3.05Å; V171-I175 WeakPolarHBondContact O-CG1 3.21Å; V171-I175 PolarHBondContact O-N 3.42Å; I175-K177 PolarHBondContact O-N 3Å; I175-K178 PolarHBondContact O-N 3.49Å; I175-D179 PolarHBondContact O-N 3.12Å; I175-L221 HydrophobicContact CG1-CD1 4.32Å |
| 176 | K | 88.5 | Confident | 86 | Confident | 107 Ų | 107 | 84.6 Ų | 84.6 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.1 | -165.6 | -177.4 | -176.9 | -98.5 | 0 | 112.2 | Q172 A173 E174 D179 E180 | Q172-K176 WeakPolarHBondContact O-CB 3.24Å; Q172-K176 PolarHBondContact O-N 2.71Å; A173-K176 PolarHBondContact O-N 2.94Å; E174-K176 VanDerWaalsContact C-N 3.33Å; E174-K176 PolarHBondContact O-N 3.36Å; K176-D179 WeakPolarHBondContact O-CB 3.49Å; K176-D179 PolarHBondContact O-N 3.41Å; K176-E180 WeakPolarHBondContact CE-OE1 3.28Å; K176-E180 IonicContact NZ-OE1 2.67Å; K176-E180 PolarHBondContact NZ-OE1 3.29Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.28Å |
| 177 | K | 89.1 | Confident | 85.5 | Confident | 141 Ų | 141 | 86.5 Ų | 86.5 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 177 | -176.9 | -176.6 | 173 | -172.2 | 0 | 111.4 | A173 E174 I175 E180 E181 | A173-K177 WeakPolarHBondContact O-CB 3.28Å; A173-K177 PolarHBondContact O-N 3.06Å; E174-K177 PolarHBondContact O-N 3.49Å; I175-K177 PolarHBondContact O-N 3Å; K177-E180 PolarHBondContact O-N 3.18Å; K177-E181 WeakPolarHBondContact O-CB 3.23Å; K177-E181 PolarHBondContact O-N 3.08Å |
| 178 | K | 83.9 | Confident | 84.8 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 174.8 | -83 | 172.3 | 168.9 | 162 | 0 | 112.5 | E174 I175 L182 L221 | E174-K178 PolarHBondContact O-N 2.84Å; E174-K178 WeakPolarHBondContact OE1-CE 3.4Å; E174-K178 IonicContact OE1-NZ 3.95Å; E174-K178 PolarHBondContact OE1-NZ 3.11Å; I175-K178 PolarHBondContact O-N 3.49Å; K178-L182 VanDerWaalsContact O-CB 3.29Å; K178-L182 WeakPolarHBondContact O-CB 3.16Å; K178-L182 PolarHBondContact O-N 2.92Å; K178-L221 HydrophobicContact CD-CD2 4.19Å; K178-L221 VanDerWaalsContact NZ-CD2 3.25Å |
| 179 | D | 83 | Confident | 83.8 | Confident | 31 Ų | 31 | 94.9 Ų | 94.9 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.6 | -80.1 | -38.8 | 0 | 0 | 0 | 111.6 | R101 Y102 I175 K176 L182 Q183 | R101-D179 IonicContact CZ-OD2 3.56Å; R101-D179 IonicContact NH1-OD2 2.65Å; R101-D179 PolarHBondContact NH1-OD2 3.2Å; Y102-D179 VanDerWaalsContact OH-CG 3.3Å; Y102-D179 PolarHBondContact OH-OD1 2.87Å; Y102-D179 PolarHBondContact OH-OD2 3.28Å; I175-D179 PolarHBondContact O-N 3.12Å; K176-D179 WeakPolarHBondContact O-CB 3.49Å; K176-D179 PolarHBondContact O-N 3.41Å; D179-L182 PolarHBondContact O-N 3.47Å; D179-Q183 WeakPolarHBondContact O-CG 3.48Å; D179-Q183 PolarHBondContact O-N 2.95Å |
| 180 | E | 87.1 | Confident | 81.9 | Confident | 97 Ų | 97 | 91.5 Ų | 91.5 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 179.7 | -73 | 171.6 | -172.3 | 0 | 0 | 111.9 | K176 K177 Q183 R184 | K176-E180 WeakPolarHBondContact CE-OE1 3.28Å; K176-E180 IonicContact NZ-OE1 2.67Å; K176-E180 PolarHBondContact NZ-OE1 3.29Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.28Å; K177-E180 PolarHBondContact O-N 3.18Å; E180-Q183 PolarHBondContact O-N 3.02Å; E180-R184 WeakPolarHBondContact O-CB 3.11Å; E180-R184 PolarHBondContact O-N 2.89Å |
| 181 | E | 84.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 89.4 Ų | 89.4 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 174.8 | -174.5 | 172.3 | -177.4 | 0 | 0 | 112 | K177 R184 S185 | K177-E181 WeakPolarHBondContact O-CB 3.23Å; K177-E181 PolarHBondContact O-N 3.08Å; E181-R184 PolarHBondContact O-N 3.37Å; E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.14Å |
| 182 | L | 77.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 94.7 Ų | 94.7 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 175 | -171.6 | 79.6 | 0 | 0 | 0 | 111.7 | K178 D179 S185 K186 | K178-L182 VanDerWaalsContact O-CB 3.29Å; K178-L182 WeakPolarHBondContact O-CB 3.16Å; K178-L182 PolarHBondContact O-N 2.92Å; D179-L182 PolarHBondContact O-N 3.47Å; L182-S185 PolarHBondContact O-N 3.49Å; L182-K186 WeakPolarHBondContact O-CG 3.33Å; L182-K186 PolarHBondContact O-N 2.74Å |
| 183 | Q | 79.1 | Confident | 75.4 | Confident | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 175.2 | -73.9 | -174.3 | 2.9 | 0 | 0 | 111.5 | D179 E180 S185 K186 L187 | D179-Q183 WeakPolarHBondContact O-CG 3.48Å; D179-Q183 PolarHBondContact O-N 2.95Å; E180-Q183 PolarHBondContact O-N 3.02Å; Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.9Å; Q183-K186 PolarHBondContact O-N 3.37Å; Q183-L187 WeakPolarHBondContact O-CG 3.25Å; Q183-L187 PolarHBondContact O-N 3.43Å |
| 184 | R | 82.9 | Confident | 73.4 | Confident | 199 Ų | 199 | 102.2 Ų | 102.2 | 75% | 0.751 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 176.4 | -168.1 | -176.5 | -174.2 | -157.4 | 2.6 | 111.9 | E180 E181 L187 A188 | E180-R184 WeakPolarHBondContact O-CB 3.11Å; E180-R184 PolarHBondContact O-N 2.89Å; E181-R184 PolarHBondContact O-N 3.37Å; R184-L187 PolarHBondContact O-N 3.39Å; R184-A188 VanDerWaalsContact O-CB 3.28Å; R184-A188 WeakPolarHBondContact O-CB 3.42Å; R184-A188 PolarHBondContact O-N 2.8Å |
| 185 | S | 76.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 106 Ų | 106 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | E181 L182 Q183 A188 N189 | E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.14Å; L182-S185 PolarHBondContact O-N 3.49Å; Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.9Å; S185-A188 PolarHBondContact O-N 2.89Å; S185-N189 WeakPolarHBondContact O-CB 3.5Å; S185-N189 PolarHBondContact O-N 3.46Å; S185-N189 PolarHBondContact O-ND2 2.95Å; S185-N189 PolarHBondContact OG-ND2 3.42Å |
| 186 | K | 75.1 | Confident | 68.9 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 53% | 0.526 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 173.8 | -72 | 170.3 | 179.9 | 176.5 | 0 | 112.9 | L182 Q183 G190 | L182-K186 WeakPolarHBondContact O-CG 3.33Å; L182-K186 PolarHBondContact O-N 2.74Å; Q183-K186 PolarHBondContact O-N 3.37Å; K186-G190 CarbonylContact O-C 3.4Å |
| 187 | L | 77.8 | Confident | 66.5 | Low | 145 Ų | 145 | 109 Ų | 109 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -39.1 | 175.7 | -74.1 | 160.5 | 0 | 0 | 0 | 112 | Q183 R184 | Q183-L187 WeakPolarHBondContact O-CG 3.25Å; Q183-L187 PolarHBondContact O-N 3.43Å; R184-L187 PolarHBondContact O-N 3.39Å |
| 188 | A | 74.9 | Confident | 63.9 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.2 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R184 S185 G190 | R184-A188 VanDerWaalsContact O-CB 3.28Å; R184-A188 WeakPolarHBondContact O-CB 3.42Å; R184-A188 PolarHBondContact O-N 2.8Å; S185-A188 PolarHBondContact O-N 2.89Å; A188-G190 VanDerWaalsContact C-N 3.26Å; A188-G190 PolarHBondContact O-N 3.22Å |
| 189 | N | 68.4 | Low | 61.8 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 69% | 0.69 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 5 | 178.4 | -68.2 | -51.5 | 0 | 0 | 0 | 113.6 | S185 | S185-N189 WeakPolarHBondContact O-CB 3.5Å; S185-N189 PolarHBondContact O-N 3.46Å; S185-N189 PolarHBondContact O-ND2 2.95Å; S185-N189 PolarHBondContact OG-ND2 3.42Å |
| 190 | G | 50 | Low | 59.8 | Low | 41 Ų | 41 | 113.6 Ų | 113.6 | 42% | 0.423 | 67% | 0.673 | S | S | . | * | trans | 76.7 | 145.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K186 A188 | K186-G190 CarbonylContact O-C 3.4Å; A188-G190 VanDerWaalsContact C-N 3.26Å; A188-G190 PolarHBondContact O-N 3.22Å | ||
| 191 | A | 47.3 | Very low | 57.7 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | trans | -63.3 | 136.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D193 | A191-D193 VanDerWaalsContact C-N 3.32Å; A191-D193 PolarHBondContact O-N 3.39Å | ||
| 192 | P | 46.3 | Very low | 55.6 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -67.7 | 101.8 | 157.7 | 28.9 | -29.2 | 0 | 0 | 0 | 106.2 | V194 | P192-V194 PolarHBondContact O-N 2.86Š| ||
| 193 | D | 41.9 | Very low | 53.9 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -51.6 | 134.5 | 172.1 | -73.3 | -42.6 | 0 | 0 | 0 | 108.9 | A191 E195 | A191-D193 VanDerWaalsContact C-N 3.32Å; A191-D193 PolarHBondContact O-N 3.39Å; D193-E195 PolarHBondContact O-N 2.92Å | ||
| 194 | V | 49.4 | Very low | 52.1 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 93% | 0.933 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -80.2 | 5.7 | -176 | 175 | 0 | 0 | 0 | 0 | 111.3 | P192 | P192-V194 PolarHBondContact O-N 2.86Š|
| 195 | E | 46.9 | Very low | 50.2 | Low | 176 Ų | 176 | 113.8 Ų | 113.8 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -122.4 | 146 | 172.7 | -91.1 | -177.6 | 110 | 0 | 0 | 111.5 | D193 | D193-E195 PolarHBondContact O-N 2.92Š|
| 196 | A | 35.8 | Very low | 48.7 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 65.7 | 130.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 197 | G | 39.2 | Very low | 47.3 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -98.2 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 198 | T | 34.5 | Very low | 45.9 | Very low | 153 Ų | 153 | 121 Ų | 121 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | trans | 92.5 | 102.6 | 159.7 | -22.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 199 | G | 39 | Very low | 44.8 | Very low | 67 Ų | 67 | 128.3 Ų | 128.3 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 90.1 | 151.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 200 | T | 41.6 | Very low | 44.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | cis | -173.1 | 155.4 | -3.9 | 25.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 201 | T | 42 | Very low | 45 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | -161.4 | 126 | 0.5 | 15.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 202 | L | 40.4 | Very low | 46.6 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | trans | -151.4 | 148.1 | 145 | -94.9 | 176.4 | 0 | 0 | 0 | 106.7 | Q204 | L202-Q204 PolarHBondContact O-N 3.32Š| ||
| 203 | P | 41.6 | Very low | 48.3 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -79.8 | 49.5 | -172.8 | 34 | -36.2 | 0 | 0 | 0 | 112.8 | S205 | P203-S205 PolarHBondContact O-N 3.48Å; P203-S205 VanDerWaalsContact O-N 3.13Å | ||
| 204 | Q | 41.8 | Very low | 50.4 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | trans | -81.2 | 93.7 | 178 | -171.6 | 165 | 1.3 | 0 | 0 | 109.3 | L202 H208 | L202-Q204 PolarHBondContact O-N 3.32Å; Q204-H208 VanDerWaalsContact CG-CD2 3.42Å; Q204-H208 WeakPolarHBondContact CG-CD2 3.22Å; Q204-H208 WeakPolarHBondContact CG-NE2 3.22Å; Q204-H208 PolarHBondContact NE2-CD2 3.46Å; Q204-H208 PolarHBondContact NE2-NE2 3.49Å; Q204-H208 VanDerWaalsContact NE2-NE2 3.13Å | ||
| 205 | S | 43.4 | Very low | 52.3 | Low | 80 Ų | 80 | 118.6 Ų | 118.6 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | trans | -50.5 | 156.1 | -166.9 | -172.8 | 0 | 0 | 0 | 0 | 115.6 | P203 W207 H208 | P203-S205 PolarHBondContact O-N 3.48Å; P203-S205 VanDerWaalsContact O-N 3.13Å; S205-W207 PolarHBondContact O-N 3.02Å; S205-H208 PolarHBondContact O-N 3.3Å | ||
| 206 | K | 45.4 | Very low | 54.4 | Low | 190 Ų | 190 | 112.8 Ų | 112.8 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -51.5 | -10.5 | -177.6 | -60.1 | 176.1 | -177.1 | 176.1 | 0 | 115.5 | H208 R209 | K206-H208 PolarHBondContact O-N 2.93Å; K206-R209 PolarHBondContact O-N 3.35Å |
| 207 | W | 45 | Very low | 56.9 | Low | 183 Ų | 183 | 109.4 Ų | 109.4 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -59.4 | -38 | 179 | -112.8 | 52.5 | 0 | 0 | 0 | 114.7 | S205 R209 F210 I211 | S205-W207 PolarHBondContact O-N 3.02Å; W207-R209 PolarHBondContact O-N 2.87Å; W207-F210 PolarHBondContact O-N 3.39Å; W207-I211 HydrophobicContact CD2-CD1 4.38Å; W207-I211 HydrophobicContact CE3-CD1 3.47Å; W207-I211 VanDerWaalsContact CE3-CD1 3.47Å; W207-I211 HydrophobicContact CH2-CD1 4.47Å; W207-I211 HydrophobicContact CZ3-CD1 3.53Å; W207-I211 PolarHBondContact O-N 2.89Å |
| 208 | H | 49.6 | Very low | 59.3 | Low | 100 Ų | 100 | 106.2 Ų | 106.2 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -65.6 | -11.1 | -177.6 | -68.5 | -79.1 | 0 | 0 | 0 | 114.5 | Q204 S205 K206 F210 | Q204-H208 VanDerWaalsContact CG-CD2 3.42Å; Q204-H208 WeakPolarHBondContact CG-CD2 3.22Å; Q204-H208 WeakPolarHBondContact CG-NE2 3.22Å; Q204-H208 PolarHBondContact NE2-CD2 3.46Å; Q204-H208 PolarHBondContact NE2-NE2 3.49Å; Q204-H208 VanDerWaalsContact NE2-NE2 3.13Å; S205-H208 PolarHBondContact O-N 3.3Å; K206-H208 PolarHBondContact O-N 2.93Å; H208-F210 VanDerWaalsContact C-N 3.33Å |
| 209 | R | 50.8 | Low | 62.2 | Low | 236 Ų | 236 | 101.2 Ų | 101.2 | 89% | 0.891 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -81.3 | -13.5 | 174.3 | -156.2 | 169 | -174.2 | 165.3 | 2.2 | 113.2 | K206 W207 | K206-R209 PolarHBondContact O-N 3.35Å; W207-R209 PolarHBondContact O-N 2.87Å |
| 210 | F | 55.8 | Low | 64.7 | Low | 186 Ų | 186 | 100.6 Ų | 100.6 | 82% | 0.816 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -20.2 | 177.9 | -68.4 | -79.5 | 0 | 0 | 0 | 113.6 | W207 H208 | W207-F210 PolarHBondContact O-N 3.39Å; H208-F210 VanDerWaalsContact C-N 3.33Å |
| 211 | I | 67.6 | Low | 67 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 23% | 0.231 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -106.6 | 121.1 | -179.4 | -54.2 | -177.3 | 0 | 0 | 0 | 109.5 | W207 F215 I216 | W207-I211 HydrophobicContact CD2-CD1 4.38Å; W207-I211 HydrophobicContact CE3-CD1 3.47Å; W207-I211 VanDerWaalsContact CE3-CD1 3.47Å; W207-I211 HydrophobicContact CH2-CD1 4.47Å; W207-I211 HydrophobicContact CZ3-CD1 3.53Å; W207-I211 PolarHBondContact O-N 2.89Å; I211-F215 HydrophobicContact CG2-CB 4.13Å; I211-F215 HydrophobicContact CG2-CD1 3.35Å; I211-F215 HydrophobicContact CG2-CE1 4.04Å; I211-F215 HydrophobicContact CG2-CG 3.99Å; I211-I216 HydrophobicContact CB-CD1 4.4Å; I211-I216 HydrophobicContact CB-CG1 4.47Å; I211-I216 HydrophobicContact CG2-CD1 4.04Å; I211-I216 HydrophobicContact CG2-CG1 3.59Å |
| 212 | S | 80.2 | Confident | 69.5 | Low | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 44% | 0.437 | S | S | . | . | trans | -57.3 | 136.8 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | I214 F215 I216 | S212-I214 PolarHBondContact O-N 2.87Å; S212-I214 PolarHBondContact OG-N 3.47Å; S212-F215 WeakPolarHBondContact O-CA 3.38Å; S212-F215 VanDerWaalsContact O-CB 3.3Å; S212-F215 WeakPolarHBondContact O-CB 3.32Å; S212-F215 PolarHBondContact O-N 3.28Å; S212-I216 PolarHBondContact O-N 2.98Å | ||
| 213 | P | 82.9 | Confident | 72 | Confident | 85 Ų | 85 | 83.8 Ų | 83.8 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59 | -31.4 | 175.9 | 24.4 | -34 | 0 | 0 | 0 | 112 | F215 I216 Q217 | P213-F215 VanDerWaalsContact C-N 3.34Å; P213-I216 PolarHBondContact O-N 3.33Å; P213-Q217 WeakPolarHBondContact O-CB 3.4Å; P213-Q217 PolarHBondContact O-N 3.44Å |
| 214 | I | 85.7 | Confident | 74.4 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 175.3 | -62.8 | 155.8 | 0 | 0 | 0 | 111.2 | M98 Y102 T106 V107 S212 Q217 A218 | M98-I214 HydrophobicContact CE-CG2 4.4Å; Y102-I214 HydrophobicContact CD1-CD1 3.65Å; Y102-I214 HydrophobicContact CD1-CG1 3.7Å; Y102-I214 HydrophobicContact CD1-CG2 4.16Å; Y102-I214 HydrophobicContact CD2-CG2 3.82Å; Y102-I214 HydrophobicContact CE1-CD1 4.39Å; Y102-I214 HydrophobicContact CE1-CG1 4.07Å; Y102-I214 HydrophobicContact CG-CB 4.48Å; Y102-I214 HydrophobicContact CG-CD1 4.1Å; Y102-I214 HydrophobicContact CG-CG1 4.04Å; Y102-I214 HydrophobicContact CG-CG2 3.59Å; T106-I214 HydrophobicContact CG2-CB 4.34Å; T106-I214 HydrophobicContact CG2-CG2 4.22Å; V107-I214 HydrophobicContact CG2-CG2 4.2Å; S212-I214 PolarHBondContact O-N 2.87Å; S212-I214 PolarHBondContact OG-N 3.47Å; I214-Q217 PolarHBondContact O-N 2.69Å; I214-A218 WeakPolarHBondContact O-CB 3.29Å; I214-A218 PolarHBondContact O-N 2.86Å |
| 215 | F | 90.1 | Very high | 76.8 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 20% | 0.197 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.7 | 174.8 | -81.9 | 0 | 0 | 0 | 110.4 | T106 A109 L113 I211 S212 P213 Q217 A218 F219 | T106-F215 HydrophobicContact CG2-CB 3.87Å; A109-F215 VanDerWaalsContact C-CE2 3.43Å; A109-F215 HydrophobicContact CB-CD2 4.12Å; A109-F215 HydrophobicContact CB-CE2 3.86Å; A109-F215 WeakPolarHBondContact O-CE2 3.5Å; L113-F215 HydrophobicContact CB-CZ 4.22Å; L113-F215 HydrophobicContact CD1-CZ 4.03Å; I211-F215 HydrophobicContact CG2-CB 4.13Å; I211-F215 HydrophobicContact CG2-CD1 3.35Å; I211-F215 HydrophobicContact CG2-CE1 4.04Å; I211-F215 HydrophobicContact CG2-CG 3.99Å; S212-F215 WeakPolarHBondContact O-CA 3.38Å; S212-F215 VanDerWaalsContact O-CB 3.3Å; S212-F215 WeakPolarHBondContact O-CB 3.32Å; S212-F215 PolarHBondContact O-N 3.28Å; P213-F215 VanDerWaalsContact C-N 3.34Å; F215-Q217 VanDerWaalsContact C-N 3.33Å; F215-Q217 PolarHBondContact O-N 3.39Å; F215-A218 PolarHBondContact O-N 3.33Å; F215-F219 VanDerWaalsContact O-CB 3.27Å; F215-F219 WeakPolarHBondContact O-CB 3.44Å; F215-F219 PolarHBondContact O-N 3.19Å |
| 216 | I | 89.6 | Confident | 79 | Confident | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.277 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.5 | -57.5 | 178.2 | 0 | 0 | 0 | 109.9 | I211 S212 P213 F219 T220 | I211-I216 HydrophobicContact CB-CD1 4.4Å; I211-I216 HydrophobicContact CB-CG1 4.47Å; I211-I216 HydrophobicContact CG2-CD1 4.04Å; I211-I216 HydrophobicContact CG2-CG1 3.59Å; S212-I216 PolarHBondContact O-N 2.98Å; P213-I216 PolarHBondContact O-N 3.33Å; I216-F219 PolarHBondContact O-N 2.86Å; I216-T220 VanDerWaalsContact O-CB 3.3Å; I216-T220 WeakPolarHBondContact O-CB 3.13Å; I216-T220 PolarHBondContact O-N 3.43Å; I216-T220 PolarHBondContact O-OG1 2.99Å |
| 217 | Q | 88.6 | Confident | 81.1 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 176.2 | -178.1 | 178.4 | -22.8 | 0 | 0 | 112 | M98 Y102 P213 I214 F215 T220 L221 | M98-Q217 HydrophobicContact CE-CB 4.24Å; M98-Q217 HydrophobicContact CE-CG 3.82Å; M98-Q217 HydrophobicContact SD-CG 4.42Å; Y102-Q217 PolarHBondContact OH-NE2 3.41Å; P213-Q217 WeakPolarHBondContact O-CB 3.4Å; P213-Q217 PolarHBondContact O-N 3.44Å; I214-Q217 PolarHBondContact O-N 2.69Å; F215-Q217 VanDerWaalsContact C-N 3.33Å; F215-Q217 PolarHBondContact O-N 3.39Å; Q217-T220 PolarHBondContact O-N 3.25Å; Q217-L221 HydrophobicContact CG-CD1 3.86Å; Q217-L221 HydrophobicContact CG-CG 4.36Å; Q217-L221 WeakPolarHBondContact O-CB 3.37Å; Q217-L221 WeakPolarHBondContact O-CG 3.26Å; Q217-L221 PolarHBondContact O-N 2.67Å |
| 218 | A | 90.5 | Very high | 83.2 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M98 V107 I214 F215 T220 L221 T222 | M98-A218 HydrophobicContact CE-CB 3.99Å; V107-A218 HydrophobicContact CG1-CB 4.4Å; I214-A218 WeakPolarHBondContact O-CB 3.29Å; I214-A218 PolarHBondContact O-N 2.86Å; F215-A218 PolarHBondContact O-N 3.33Å; A218-T220 PolarHBondContact O-N 2.95Å; A218-L221 PolarHBondContact O-N 3.24Å; A218-T222 WeakPolarHBondContact O-CB 3.31Å; A218-T222 PolarHBondContact O-N 2.85Å; A218-T222 PolarHBondContact O-OG1 3.33Å |
| 219 | F | 93.9 | Very high | 85.1 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55 | -51.7 | 174.7 | 170 | -94.4 | 0 | 0 | 0 | 111.7 | G110 L113 A114 F215 I216 F223 | G110-F219 WeakPolarHBondContact O-CA 3.17Å; L113-F219 HydrophobicContact CB-CD2 4.46Å; L113-F219 HydrophobicContact CD2-CD2 3.61Å; L113-F219 HydrophobicContact CD2-CE2 3.46Å; L113-F219 VanDerWaalsContact CD2-CE2 3.46Å; L113-F219 HydrophobicContact CD2-CZ 4.47Å; A114-F219 HydrophobicContact CB-CD2 3.64Å; A114-F219 HydrophobicContact CB-CE2 3.94Å; A114-F219 HydrophobicContact CB-CG 4.41Å; F215-F219 VanDerWaalsContact O-CB 3.27Å; F215-F219 WeakPolarHBondContact O-CB 3.44Å; F215-F219 PolarHBondContact O-N 3.19Å; I216-F219 PolarHBondContact O-N 2.86Å; F219-F223 HydrophobicContact CZ-CB 4.41Å; F219-F223 HydrophobicContact CZ-CD2 4.45Å; F219-F223 HydrophobicContact CZ-CG 4.36Å; F219-F223 WeakPolarHBondContact O-CB 3.22Å; F219-F223 PolarHBondContact O-N 3.24Å |
| 220 | T | 91.9 | Very high | 86.9 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | -176 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | I216 Q217 A218 L224 | I216-T220 VanDerWaalsContact O-CB 3.3Å; I216-T220 WeakPolarHBondContact O-CB 3.13Å; I216-T220 PolarHBondContact O-N 3.43Å; I216-T220 PolarHBondContact O-OG1 2.99Å; Q217-T220 PolarHBondContact O-N 3.25Å; A218-T220 PolarHBondContact O-N 2.95Å; T220-L224 HydrophobicContact CG2-CD1 3.73Å; T220-L224 HydrophobicContact CG2-CG 4.17Å; T220-L224 WeakPolarHBondContact O-CB 3.36Å; T220-L224 VanDerWaalsContact O-CG 3.28Å; T220-L224 WeakPolarHBondContact O-CG 3.49Å; T220-L224 PolarHBondContact O-N 3.14Å |
| 221 | L | 91.3 | Very high | 88.6 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -47.6 | 177.1 | -68.1 | 175.5 | 0 | 0 | 0 | 111.3 | I94 M98 I175 K178 Q217 A218 A225 | I94-L221 HydrophobicContact CG2-CB 3.89Å; I94-L221 HydrophobicContact CG2-CD1 4.32Å; M98-L221 HydrophobicContact SD-CD1 3.94Å; I175-L221 HydrophobicContact CG1-CD1 4.32Å; K178-L221 HydrophobicContact CD-CD2 4.19Å; K178-L221 VanDerWaalsContact NZ-CD2 3.25Å; Q217-L221 HydrophobicContact CG-CD1 3.86Å; Q217-L221 HydrophobicContact CG-CG 4.36Å; Q217-L221 WeakPolarHBondContact O-CB 3.37Å; Q217-L221 WeakPolarHBondContact O-CG 3.26Å; Q217-L221 PolarHBondContact O-N 2.67Å; A218-L221 PolarHBondContact O-N 3.24Å; L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.41Å; L221-A225 PolarHBondContact O-N 3.05Å; L221-A225 VanDerWaalsContact O-N 3.14Å |
| 222 | T | 92.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111 | A111 A114 L115 A218 L224 A225 E226 | A111-T222 HydrophobicContact CB-CG2 4.33Å; A114-T222 HydrophobicContact CB-CG2 3.9Å; L115-T222 HydrophobicContact CD1-CG2 4.37Å; L115-T222 HydrophobicContact CD2-CG2 3.75Å; L115-T222 HydrophobicContact CG-CG2 3.82Å; A218-T222 WeakPolarHBondContact O-CB 3.31Å; A218-T222 PolarHBondContact O-N 2.85Å; A218-T222 PolarHBondContact O-OG1 3.33Å; T222-L224 PolarHBondContact O-N 3.4Å; T222-A225 PolarHBondContact O-N 3.4Å; T222-E226 HydrophobicContact CG2-CG 4.42Å; T222-E226 PolarHBondContact O-N 3.48Å |
| 223 | F | 93.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 45 Ų | 45 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | -178.9 | 179.6 | -98 | 0 | 0 | 0 | 113.1 | A114 F117 M118 F219 W227 | A114-F223 HydrophobicContact CB-CB 3.95Å; F117-F223 HydrophobicContact CD1-CD2 4.11Å; F117-F223 AromaticContact CD1-CE2 3.58Å; F117-F223 HydrophobicContact CD1-CE2 3.58Å; F117-F223 HydrophobicContact CD1-CZ 4.47Å; F117-F223 AromaticContact CE1-CE2 3.7Å; F117-F223 HydrophobicContact CE1-CE2 3.7Å; F117-F223 HydrophobicContact CE1-CZ 4.16Å; M118-F223 HydrophobicContact CE-CD2 3.53Å; M118-F223 HydrophobicContact CE-CE2 3.8Å; M118-F223 HydrophobicContact CE-CG 4.08Å; M118-F223 WeakPolarHBondContact CE-O 3.35Å; M118-F223 HydrophobicContact CG-CD2 4.27Å; M118-F223 HydrophobicContact SD-CD2 3.99Å; M118-F223 HydrophobicContact SD-CE2 3.86Å; F219-F223 HydrophobicContact CZ-CB 4.41Å; F219-F223 HydrophobicContact CZ-CD2 4.45Å; F219-F223 HydrophobicContact CZ-CG 4.36Å; F219-F223 WeakPolarHBondContact O-CB 3.22Å; F219-F223 PolarHBondContact O-N 3.24Å; F223-W227 AromaticContact CE1-CE3 3.94Å; F223-W227 HydrophobicContact CE1-CE3 3.94Å; F223-W227 HydrophobicContact CE1-CZ3 4.37Å; F223-W227 AromaticContact CE2-CE3 3.57Å; F223-W227 HydrophobicContact CE2-CE3 3.57Å; F223-W227 AromaticContact CE2-CZ3 3.68Å; F223-W227 HydrophobicContact CE2-CZ3 3.68Å; F223-W227 HydrophobicContact CZ-CD2 4.24Å; F223-W227 AromaticContact CZ-CE3 3.24Å; F223-W227 HydrophobicContact CZ-CE3 3.24Å; F223-W227 HydrophobicContact CZ-CH2 4.39Å; F223-W227 AromaticContact CZ-CZ3 3.35Å; F223-W227 HydrophobicContact CZ-CZ3 3.35Å; F223-W227 WeakPolarHBondContact O-CB 3.22Å; F223-W227 PolarHBondContact O-N 3.32Å |
| 224 | L | 93 | Very high | 90.9 | Very high | 117 Ų | 117 | 41 Ų | 41 | 61% | 0.613 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -74.6 | -27.4 | 179.4 | -69.6 | 178 | 0 | 0 | 0 | 113.1 | T220 T222 | T220-L224 HydrophobicContact CG2-CD1 3.73Å; T220-L224 HydrophobicContact CG2-CG 4.17Å; T220-L224 WeakPolarHBondContact O-CB 3.36Å; T220-L224 VanDerWaalsContact O-CG 3.28Å; T220-L224 WeakPolarHBondContact O-CG 3.49Å; T220-L224 PolarHBondContact O-N 3.14Å; T222-L224 PolarHBondContact O-N 3.4Å |
| 225 | A | 90.4 | Very high | 91.3 | Very high | 43 Ų | 43 | 39 Ų | 39 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -80 | -33.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T91 I94 L221 T222 W227 | T91-A225 HydrophobicContact CG2-CB 3.4Å; T91-A225 VanDerWaalsContact CG2-CB 3.4Å; I94-A225 HydrophobicContact CD1-CB 4.08Å; L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.41Å; L221-A225 PolarHBondContact O-N 3.05Å; L221-A225 VanDerWaalsContact O-N 3.14Å; T222-A225 PolarHBondContact O-N 3.4Å; A225-W227 VanDerWaalsContact C-N 3.35Å |
| 226 | E | 90.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -81.1 | -6.7 | 173.3 | -69.1 | -52 | 156.6 | 0 | 0 | 114.4 | T91 L115 M118 T222 G228 D229 | T91-E226 VanDerWaalsContact CB-OE1 3.24Å; T91-E226 WeakPolarHBondContact CB-OE1 3.43Å; T91-E226 HydrophobicContact CG2-CG 3.87Å; T91-E226 WeakPolarHBondContact CG2-OE1 3.32Å; T91-E226 PolarHBondContact OG1-OE1 2.94Å; L115-E226 HydrophobicContact CD2-CG 3.64Å; M118-E226 VanDerWaalsContact CE-C 3.48Å; M118-E226 HydrophobicContact CE-CB 3.59Å; M118-E226 HydrophobicContact CG-CB 4.31Å; T222-E226 HydrophobicContact CG2-CG 4.42Å; T222-E226 PolarHBondContact O-N 3.48Å; E226-G228 PolarHBondContact O-N 3.26Å; E226-G228 VanDerWaalsContact O-N 3.12Å; E226-D229 PolarHBondContact O-N 2.78Å |
| 227 | W | 90 | Very high | 91.6 | Very high | 140 Ų | 140 | 36.7 Ų | 36.7 | 53% | 0.53 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 110.2 | -171.4 | -172 | -88.5 | 0 | 0 | 0 | 112.1 | M118 L121 F223 A225 | M118-W227 HydrophobicContact CE-CB 3.88Å; M118-W227 HydrophobicContact CE-CD2 4.48Å; M118-W227 HydrophobicContact CE-CE3 3.78Å; M118-W227 HydrophobicContact SD-CE3 3.79Å; M118-W227 HydrophobicContact SD-CZ3 4.26Å; L121-W227 HydrophobicContact CD1-CH2 4.23Å; L121-W227 HydrophobicContact CD1-CZ3 3.93Å; F223-W227 AromaticContact CE1-CE3 3.94Å; F223-W227 HydrophobicContact CE1-CE3 3.94Å; F223-W227 HydrophobicContact CE1-CZ3 4.37Å; F223-W227 AromaticContact CE2-CE3 3.57Å; F223-W227 HydrophobicContact CE2-CE3 3.57Å; F223-W227 AromaticContact CE2-CZ3 3.68Å; F223-W227 HydrophobicContact CE2-CZ3 3.68Å; F223-W227 HydrophobicContact CZ-CD2 4.24Å; F223-W227 AromaticContact CZ-CE3 3.24Å; F223-W227 HydrophobicContact CZ-CE3 3.24Å; F223-W227 HydrophobicContact CZ-CH2 4.39Å; F223-W227 AromaticContact CZ-CZ3 3.35Å; F223-W227 HydrophobicContact CZ-CZ3 3.35Å; F223-W227 WeakPolarHBondContact O-CB 3.22Å; F223-W227 PolarHBondContact O-N 3.32Å; A225-W227 VanDerWaalsContact C-N 3.35Å |
| 228 | G | 87.9 | Confident | 91.8 | Very high | 44 Ų | 44 | 35 Ų | 35 | 45% | 0.454 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 20.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | E226 Q232 | E226-G228 PolarHBondContact O-N 3.26Å; E226-G228 VanDerWaalsContact O-N 3.12Å; G228-Q232 VanDerWaalsContact CA-OE1 3.24Å |
| 229 | D | 90.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 35 Ų | 35 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | -75.8 | -174.8 | -178.3 | 105.4 | -53.7 | 0 | 0 | 0 | 113.2 | E226 S231 Q232 L233 | E226-D229 PolarHBondContact O-N 2.78Å; D229-S231 WeakPolarHBondContact OD1-CA 3.16Å; D229-S231 PolarHBondContact OD1-N 3Å; D229-S231 PolarHBondContact OD1-OG 2.98Å; D229-S231 PolarHBondContact OD2-N 3.05Å; D229-Q232 WeakPolarHBondContact OD1-CB 3.15Å; D229-Q232 PolarHBondContact OD1-N 2.87Å; D229-L233 WeakPolarHBondContact O-CG 3.5Å; D229-L233 PolarHBondContact O-N 2.84Å | ||
| 230 | R | 89.3 | Confident | 91.7 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 18% | 0.181 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 175 | -61.2 | 179.5 | -69.3 | -144 | 1.3 | 112.6 | F148 E155 A234 | F148-R230 HydrophobicContact CD1-CG 4.24Å; F148-R230 HydrophobicContact CE1-CG 4.36Å; E155-R230 IonicContact OE1-CZ 3.99Å; E155-R230 IonicContact OE1-NH1 3.74Å; E155-R230 PolarHBondContact OE1-NH1 2.99Å; E155-R230 IonicContact OE2-NH1 3.97Å; E155-R230 PolarHBondContact OE2-NH1 2.96Å; R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.43Å; R230-A234 PolarHBondContact O-N 3.15Å |
| 231 | S | 91.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71 | -40.8 | -175.6 | 104.1 | 0 | 0 | 0 | 0 | 111.4 | E86 D229 A234 T235 | E86-S231 WeakPolarHBondContact OE1-CB 3.02Å; E86-S231 PolarHBondContact OE1-OG 3.44Å; D229-S231 WeakPolarHBondContact OD1-CA 3.16Å; D229-S231 PolarHBondContact OD1-N 3Å; D229-S231 PolarHBondContact OD1-OG 2.98Å; D229-S231 PolarHBondContact OD2-N 3.05Å; S231-A234 PolarHBondContact O-N 3.24Å; S231-T235 WeakPolarHBondContact O-CB 3.42Å; S231-T235 PolarHBondContact O-N 3.1Å; S231-T235 PolarHBondContact O-OG1 2.98Å |
| 232 | Q | 94.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 174 | -161.1 | -168.9 | 51 | 0 | 0 | 110.8 | M118 S122 G228 D229 A234 T235 I236 | M118-Q232 PolarHBondContact SD-NE2 3.34Å; S122-Q232 WeakPolarHBondContact OG-CG 3.37Å; G228-Q232 VanDerWaalsContact CA-OE1 3.24Å; D229-Q232 WeakPolarHBondContact OD1-CB 3.15Å; D229-Q232 PolarHBondContact OD1-N 2.87Å; Q232-A234 PolarHBondContact O-N 3.15Å; Q232-T235 PolarHBondContact O-N 3.1Å; Q232-I236 WeakPolarHBondContact O-CG1 3.35Å; Q232-I236 PolarHBondContact O-N 2.89Å |
| 233 | L | 92.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 34.8 Ų | 34.8 | 37% | 0.372 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.3 | -71.7 | 173.6 | 0 | 0 | 0 | 111.5 | F148 D229 T235 I236 I237 | F148-L233 HydrophobicContact CE1-CD1 4.5Å; F148-L233 HydrophobicContact CE2-CB 4.1Å; F148-L233 HydrophobicContact CZ-CB 3.91Å; F148-L233 HydrophobicContact CZ-CD1 3.76Å; F148-L233 HydrophobicContact CZ-CG 4.49Å; D229-L233 WeakPolarHBondContact O-CG 3.5Å; D229-L233 PolarHBondContact O-N 2.84Å; L233-T235 VanDerWaalsContact C-N 3.35Å; L233-T235 PolarHBondContact O-N 3.28Å; L233-I236 HydrophobicContact CD2-CD1 4.4Å; L233-I236 PolarHBondContact O-N 2.92Å; L233-I237 WeakPolarHBondContact O-CD1 3.49Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.47Å; L233-I237 VanDerWaalsContact O-N 3.12Å |
| 234 | A | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V81 F145 R230 S231 Q232 I236 I237 L238 F286 | V81-A234 HydrophobicContact CG1-CB 3.5Å; F145-A234 HydrophobicContact CE1-CB 4.21Å; R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.43Å; R230-A234 PolarHBondContact O-N 3.15Å; S231-A234 PolarHBondContact O-N 3.24Å; Q232-A234 PolarHBondContact O-N 3.15Å; A234-I236 PolarHBondContact O-N 2.94Å; A234-I237 PolarHBondContact O-N 2.89Å; A234-I237 VanDerWaalsContact O-N 3.14Å; A234-L238 HydrophobicContact CB-CD1 4.46Å; A234-L238 WeakPolarHBondContact O-CD1 3.25Å; A234-L238 PolarHBondContact O-N 2.92Å; A234-F286 HydrophobicContact CB-CE1 4.09Å; A234-F286 HydrophobicContact CB-CZ 4.1Å |
| 235 | T | 94.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 178.2 | -61 | 0 | 0 | 0 | 0 | 112.4 | V123 S231 Q232 L233 I237 L238 A239 V247 | V123-T235 HydrophobicContact CG2-CG2 3.95Å; S231-T235 WeakPolarHBondContact O-CB 3.42Å; S231-T235 PolarHBondContact O-N 3.1Å; S231-T235 PolarHBondContact O-OG1 2.98Å; Q232-T235 PolarHBondContact O-N 3.1Å; L233-T235 VanDerWaalsContact C-N 3.35Å; L233-T235 PolarHBondContact O-N 3.28Å; T235-I237 VanDerWaalsContact C-N 3.29Å; T235-I237 PolarHBondContact O-N 3.42Å; T235-L238 PolarHBondContact O-N 3.45Å; T235-A239 WeakPolarHBondContact O-CB 3.17Å; T235-A239 PolarHBondContact O-N 3.35Å; T235-V247 HydrophobicContact CG2-CG1 3.93Å |
| 236 | I | 94.1 | Very high | 91.2 | Very high | 32 Ų | 32 | 34 Ų | 34 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.1 | -48 | 172.9 | -67.7 | 164.9 | 0 | 0 | 0 | 110.1 | S122 F125 G126 Q232 L233 A234 A239 A240 | S122-I236 WeakPolarHBondContact O-CA 3.06Å; S122-I236 WeakPolarHBondContact O-CG1 3.49Å; F125-I236 HydrophobicContact CB-CD1 4.42Å; F125-I236 HydrophobicContact CB-CG1 4.2Å; F125-I236 HydrophobicContact CB-CG2 4.38Å; F125-I236 HydrophobicContact CD2-CD1 4.49Å; G126-I236 WeakPolarHBondContact CA-O 3.37Å; Q232-I236 WeakPolarHBondContact O-CG1 3.35Å; Q232-I236 PolarHBondContact O-N 2.89Å; L233-I236 HydrophobicContact CD2-CD1 4.4Å; L233-I236 PolarHBondContact O-N 2.92Å; A234-I236 PolarHBondContact O-N 2.94Å; I236-A239 PolarHBondContact O-N 3.04Å; I236-A240 WeakPolarHBondContact O-CB 3.38Å; I236-A240 PolarHBondContact O-N 2.93Å |
| 237 | I | 91.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | -176.8 | -62 | 159.5 | 0 | 0 | 0 | 112 | S141 L144 F148 L233 A234 T235 R241 | S141-I237 VanDerWaalsContact CA-CG2 3.49Å; L144-I237 HydrophobicContact CB-CD1 3.74Å; L144-I237 HydrophobicContact CD1-CD1 3.47Å; L144-I237 VanDerWaalsContact CD1-CD1 3.47Å; L144-I237 HydrophobicContact CD1-CG1 4.06Å; L144-I237 HydrophobicContact CG-CD1 4.22Å; F148-I237 HydrophobicContact CE2-CD1 4.5Å; L233-I237 WeakPolarHBondContact O-CD1 3.49Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.47Å; L233-I237 VanDerWaalsContact O-N 3.12Å; A234-I237 PolarHBondContact O-N 2.89Å; A234-I237 VanDerWaalsContact O-N 3.14Å; T235-I237 VanDerWaalsContact C-N 3.29Å; T235-I237 PolarHBondContact O-N 3.42Å; I237-R241 PolarHBondContact O-NE 2.9Å |
| 238 | L | 91.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 172.9 | -88.5 | 89.8 | 0 | 0 | 0 | 110.7 | A77 S78 V81 F145 A234 T235 A240 R241 E242 V247 | A77-L238 HydrophobicContact CB-CD2 3.69Å; S78-L238 VanDerWaalsContact N-CD2 3.29Å; V81-L238 HydrophobicContact CG1-CD1 4.47Å; V81-L238 HydrophobicContact CG2-CD1 4.43Å; F145-L238 HydrophobicContact CE1-CD1 4.16Å; F145-L238 HydrophobicContact CZ-CD1 3.64Å; A234-L238 HydrophobicContact CB-CD1 4.46Å; A234-L238 WeakPolarHBondContact O-CD1 3.25Å; A234-L238 PolarHBondContact O-N 2.92Å; T235-L238 PolarHBondContact O-N 3.45Å; L238-A240 PolarHBondContact O-N 3.01Å; L238-A240 VanDerWaalsContact O-N 3.14Å; L238-R241 PolarHBondContact O-N 3.04Å; L238-E242 HydrophobicContact CB-CG 4.49Å; L238-E242 WeakPolarHBondContact O-CB 3.36Å; L238-E242 PolarHBondContact O-N 3.43Å; L238-V247 HydrophobicContact CB-CG1 3.97Å; L238-V247 HydrophobicContact CB-CG2 3.75Å; L238-V247 HydrophobicContact CD2-CG2 4.36Å |
| 239 | A | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -18.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V123 T235 I236 V247 | V123-A239 HydrophobicContact CB-CB 4.28Å; V123-A239 HydrophobicContact CG1-CB 4.16Å; V123-A239 HydrophobicContact CG2-CB 4.24Å; T235-A239 WeakPolarHBondContact O-CB 3.17Å; T235-A239 PolarHBondContact O-N 3.35Å; I236-A239 PolarHBondContact O-N 3.04Å; A239-V247 HydrophobicContact CB-CB 4.46Å; A239-V247 HydrophobicContact CB-CG1 4.16Å |
| 240 | A | 89.9 | Confident | 92.3 | Very high | 10 Ų | 10 | 28 Ų | 28 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G126 T129 I236 L238 | G126-A240 WeakPolarHBondContact O-CA 3.47Å; T129-A240 WeakPolarHBondContact OG1-CB 3.35Å; I236-A240 WeakPolarHBondContact O-CB 3.38Å; I236-A240 PolarHBondContact O-N 2.93Å; L238-A240 PolarHBondContact O-N 3.01Å; L238-A240 VanDerWaalsContact O-N 3.14Å |
| 241 | R | 85.8 | Confident | 92.5 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -32.2 | -175.1 | 72.9 | -175.9 | 133.9 | 78.9 | 3.6 | 114.8 | R134 I237 L238 | R134-R241 PolarHBondContact NH1-O 2.9Å; R134-R241 PolarHBondContact NH2-O 3.11Å; I237-R241 PolarHBondContact O-NE 2.9Å; L238-R241 PolarHBondContact O-N 3.04Å |
| 242 | E | 88.4 | Confident | 92.7 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 20% | 0.201 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -93.1 | -176.3 | 177.6 | -49.7 | -56.5 | 153.3 | 0 | 0 | 111.1 | H73 A74 L238 P244 V247 | H73-E242 IonicContact CE1-OE1 3.7Å; H73-E242 IonicContact CE1-OE2 3.35Å; H73-E242 PolarHBondContact CE1-OE2 3.45Å; H73-E242 IonicContact ND1-OE1 3.95Å; H73-E242 IonicContact ND1-OE2 2.8Å; H73-E242 PolarHBondContact ND1-OE2 2.98Å; A74-E242 HydrophobicContact CB-CB 3.71Å; L238-E242 HydrophobicContact CB-CG 4.49Å; L238-E242 WeakPolarHBondContact O-CB 3.36Å; L238-E242 PolarHBondContact O-N 3.43Å; E242-P244 WeakPolarHBondContact O-CD 3.32Å; E242-V247 HydrophobicContact CB-CG2 4.02Å |
| 243 | D | 90.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | trans | -69.1 | 118.6 | 170.4 | 174.4 | 58.3 | 0 | 0 | 0 | 111.9 | A74 F245 G246 V247 | A74-D243 HydrophobicContact CB-CB 3.95Å; A74-D243 WeakPolarHBondContact CB-O 3.41Å; D243-F245 VanDerWaalsContact C-N 3.26Å; D243-F245 PolarHBondContact O-N 3.27Å; D243-F245 WeakPolarHBondContact OD2-CB 3.39Å; D243-F245 PolarHBondContact OD2-N 3.26Å; D243-G246 PolarHBondContact O-N 2.89Å; D243-G246 PolarHBondContact OD2-N 3.29Å; D243-V247 WeakPolarHBondContact O-CG2 3.5Å; D243-V247 PolarHBondContact O-N 3.31Å | ||
| 244 | P | 92.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -29.9 | -176.1 | -24.3 | 34.4 | 0 | 0 | 0 | 114.3 | V123 Y127 E242 A248 | V123-P244 HydrophobicContact CG1-CB 3.87Å; Y127-P244 HydrophobicContact CD2-CG 4.03Å; E242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-A248 WeakPolarHBondContact O-CB 3.19Å; P244-A248 PolarHBondContact O-N 2.97Å |
| 245 | F | 93.4 | Very high | 93 | Very high | 154 Ų | 154 | 27.8 Ų | 27.8 | 68% | 0.675 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -73 | -44.6 | 179.1 | -66.3 | -80.6 | 0 | 0 | 0 | 111.5 | F71 D243 V247 A248 V249 | F71-F245 HydrophobicContact CD2-CB 4.5Å; D243-F245 VanDerWaalsContact C-N 3.26Å; D243-F245 PolarHBondContact O-N 3.27Å; D243-F245 WeakPolarHBondContact OD2-CB 3.39Å; D243-F245 PolarHBondContact OD2-N 3.26Å; F245-V247 VanDerWaalsContact C-N 3.31Å; F245-V247 PolarHBondContact O-N 2.88Å; F245-A248 PolarHBondContact O-N 3.09Å; F245-V249 WeakPolarHBondContact O-CG2 3.44Å; F245-V249 PolarHBondContact O-N 3.33Å |
| 246 | G | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F71 F75 S78 D243 V249 G250 | F71-G246 VanDerWaalsContact CD2-CA 3.46Å; F71-G246 VanDerWaalsContact CE2-CA 3.45Å; F75-G246 VanDerWaalsContact CA-O 3.32Å; F75-G246 WeakPolarHBondContact CA-O 3.48Å; S78-G246 PolarHBondContact OG-O 2.78Å; D243-G246 PolarHBondContact O-N 2.89Å; D243-G246 PolarHBondContact OD2-N 3.29Å; G246-V249 PolarHBondContact O-N 2.89Å; G246-G250 PolarHBondContact O-N 2.81Å |
| 247 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | A74 S78 V123 T235 L238 A239 E242 D243 F245 V249 G251 | A74-V247 HydrophobicContact CB-CG2 4.04Å; S78-V247 WeakPolarHBondContact CB-O 3.43Å; S78-V247 WeakPolarHBondContact OG-CA 3.38Å; S78-V247 PolarHBondContact OG-O 3.47Å; V123-V247 HydrophobicContact CG2-CG1 4.05Å; T235-V247 HydrophobicContact CG2-CG1 3.93Å; L238-V247 HydrophobicContact CB-CG1 3.97Å; L238-V247 HydrophobicContact CB-CG2 3.75Å; L238-V247 HydrophobicContact CD2-CG2 4.36Å; A239-V247 HydrophobicContact CB-CB 4.46Å; A239-V247 HydrophobicContact CB-CG1 4.16Å; E242-V247 HydrophobicContact CB-CG2 4.02Å; D243-V247 WeakPolarHBondContact O-CG2 3.5Å; D243-V247 PolarHBondContact O-N 3.31Å; F245-V247 VanDerWaalsContact C-N 3.31Å; F245-V247 PolarHBondContact O-N 2.88Å; V247-V249 PolarHBondContact O-N 2.97Å; V247-G251 PolarHBondContact O-N 2.68Å |
| 248 | A | 95.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V123 P244 F245 T252 | V123-A248 HydrophobicContact CG1-CB 4.4Å; V123-A248 HydrophobicContact CG2-CB 4.02Å; P244-A248 WeakPolarHBondContact O-CB 3.19Å; P244-A248 PolarHBondContact O-N 2.97Å; F245-A248 PolarHBondContact O-N 3.09Å; A248-T252 VanDerWaalsContact O-CB 3.26Å; A248-T252 WeakPolarHBondContact O-CB 3.13Å; A248-T252 PolarHBondContact O-N 3.41Å; A248-T252 PolarHBondContact O-OG1 2.98Å |
| 249 | V | 95.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 38% | 0.376 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.8 | -45.7 | -178.7 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | F71 F75 F245 G246 V247 T252 I253 | F71-V249 HydrophobicContact CE2-CG2 4.49Å; F71-V249 HydrophobicContact CZ-CB 4.4Å; F71-V249 HydrophobicContact CZ-CG1 4.46Å; F75-V249 HydrophobicContact CD2-CB 4.38Å; F75-V249 HydrophobicContact CD2-CG1 4.03Å; F75-V249 HydrophobicContact CE2-CG1 4.01Å; F245-V249 WeakPolarHBondContact O-CG2 3.44Å; F245-V249 PolarHBondContact O-N 3.33Å; G246-V249 PolarHBondContact O-N 2.89Å; V247-V249 PolarHBondContact O-N 2.97Å; V249-T252 PolarHBondContact O-N 2.92Å; V249-I253 HydrophobicContact CG1-CD1 4.12Å; V249-I253 WeakPolarHBondContact O-CB 3.47Å; V249-I253 WeakPolarHBondContact O-CG1 3.27Å; V249-I253 PolarHBondContact O-N 3.14Å |
| 250 | G | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F75 S78 F79 G246 I253 G254 | F75-G250 VanDerWaalsContact CE2-CA 3.48Å; S78-G250 WeakPolarHBondContact OG-CA 3.4Å; F79-G250 WeakPolarHBondContact CA-O 3.24Å; G246-G250 PolarHBondContact O-N 2.81Å; G250-I253 PolarHBondContact O-N 3.43Å; G250-G254 PolarHBondContact O-N 2.89Å |
| 251 | G | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S78 V247 I253 G254 H255 | S78-G251 PolarHBondContact OG-N 3.19Å; V247-G251 PolarHBondContact O-N 2.68Å; G251-I253 VanDerWaalsContact C-N 3.32Å; G251-I253 PolarHBondContact O-N 2.89Å; G251-G254 WeakPolarHBondContact O-CA 3.49Å; G251-G254 PolarHBondContact O-N 3.47Å; G251-G254 VanDerWaalsContact O-N 3.1Å; G251-H255 PolarHBondContact O-CD2 2.83Å; G251-H255 PolarHBondContact O-N 2.83Å |
| 252 | T | 95.5 | Very high | 93.4 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | A248 V249 H255 C256 | A248-T252 VanDerWaalsContact O-CB 3.26Å; A248-T252 WeakPolarHBondContact O-CB 3.13Å; A248-T252 PolarHBondContact O-N 3.41Å; A248-T252 PolarHBondContact O-OG1 2.98Å; V249-T252 PolarHBondContact O-N 2.92Å; T252-H255 PolarHBondContact O-N 2.96Å; T252-C256 WeakPolarHBondContact O-CB 3.45Å; T252-C256 PolarHBondContact O-N 3.1Å; T252-C256 PolarHBondContact O-SG 3.04Å |
| 253 | I | 95.9 | Very high | 93.6 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 41% | 0.41 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.6 | -34.8 | 177.3 | -67.3 | -176 | 0 | 0 | 0 | 111.5 | F75 F79 V249 G250 G251 C256 L257 | F75-I253 HydrophobicContact CE2-CD1 4.13Å; F79-I253 HydrophobicContact CD2-CG2 4.14Å; F79-I253 HydrophobicContact CE2-CG2 3.93Å; V249-I253 HydrophobicContact CG1-CD1 4.12Å; V249-I253 WeakPolarHBondContact O-CB 3.47Å; V249-I253 WeakPolarHBondContact O-CG1 3.27Å; V249-I253 PolarHBondContact O-N 3.14Å; G250-I253 PolarHBondContact O-N 3.43Å; G251-I253 VanDerWaalsContact C-N 3.32Å; G251-I253 PolarHBondContact O-N 2.89Å; I253-C256 WeakPolarHBondContact O-CB 3.17Å; I253-C256 PolarHBondContact O-N 3.49Å; I253-L257 WeakPolarHBondContact O-CB 3.39Å; I253-L257 PolarHBondContact O-N 3.04Å |
| 254 | G | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G250 G251 C256 L257 C258 | G250-G254 PolarHBondContact O-N 2.89Å; G251-G254 WeakPolarHBondContact O-CA 3.49Å; G251-G254 PolarHBondContact O-N 3.47Å; G251-G254 VanDerWaalsContact O-N 3.1Å; G254-C256 PolarHBondContact O-N 2.86Å; G254-L257 WeakPolarHBondContact O-CB 3.44Å; G254-L257 PolarHBondContact O-N 3.35Å; G254-L257 VanDerWaalsContact O-N 3.14Å; G254-C258 PolarHBondContact O-N 2.89Å |
| 255 | H | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 175.8 | -70 | -62.9 | 0 | 0 | 0 | 112.1 | E86 M112 L115 T119 G251 T252 L257 C258 T259 | E86-H255 IonicContact OE1-CE1 3.93Å; E86-H255 PolarHBondContact OE1-CE1 3.22Å; E86-H255 IonicContact OE1-ND1 3.25Å; E86-H255 IonicContact OE2-CE1 3.46Å; E86-H255 PolarHBondContact OE2-CE1 2.91Å; E86-H255 VanDerWaalsContact OE2-CE1 3.25Å; E86-H255 IonicContact OE2-CG 3.19Å; E86-H255 IonicContact OE2-ND1 2.81Å; E86-H255 PolarHBondContact OE2-ND1 3.26Å; M112-H255 HydrophobicContact CE-CB 4.38Å; L115-H255 HydrophobicContact CB-CB 4.01Å; L115-H255 HydrophobicContact CD1-CB 3.87Å; L115-H255 HydrophobicContact CG-CB 4.46Å; T119-H255 PolarHBondContact OG1-CD2 3.47Å; T119-H255 VanDerWaalsContact OG1-CD2 3.26Å; T119-H255 PolarHBondContact OG1-NE2 2.81Å; G251-H255 PolarHBondContact O-CD2 2.83Å; G251-H255 PolarHBondContact O-N 2.83Å; T252-H255 PolarHBondContact O-N 2.96Å; H255-L257 VanDerWaalsContact C-N 3.29Å; H255-L257 PolarHBondContact O-N 2.8Å; H255-C258 PolarHBondContact O-N 3.48Å; H255-T259 WeakPolarHBondContact O-CB 3.26Å; H255-T259 PolarHBondContact O-N 3.49Å; H255-T259 PolarHBondContact O-OG1 2.92Å |
| 256 | C | 95.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 29 Ų | 29 | 40% | 0.399 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55 | -43.8 | 172.1 | -80.2 | 0 | 0 | 0 | 0 | 111.9 | M112 T252 I253 G254 G260 | M112-C256 HydrophobicContact CE-CB 4.27Å; M112-C256 WeakPolarHBondContact CE-SG 3.44Å; T252-C256 WeakPolarHBondContact O-CB 3.45Å; T252-C256 PolarHBondContact O-N 3.1Å; T252-C256 PolarHBondContact O-SG 3.04Å; I253-C256 WeakPolarHBondContact O-CB 3.17Å; I253-C256 PolarHBondContact O-N 3.49Å; G254-C256 PolarHBondContact O-N 2.86Å; C256-G260 WeakPolarHBondContact O-CA 3.47Å; C256-G260 PolarHBondContact O-N 3.48Å |
| 257 | L | 93.9 | Very high | 91.6 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 40% | 0.398 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.9 | -52 | -179.8 | -177.5 | 64.5 | 0 | 0 | 0 | 111.5 | F79 I83 I253 G254 H255 G260 L261 | F79-L257 HydrophobicContact CE2-CD2 4.4Å; F79-L257 HydrophobicContact CZ-CD2 4.24Å; I83-L257 HydrophobicContact CD1-CD2 3.69Å; I83-L257 HydrophobicContact CG1-CD2 4.26Å; I253-L257 WeakPolarHBondContact O-CB 3.39Å; I253-L257 PolarHBondContact O-N 3.04Å; G254-L257 WeakPolarHBondContact O-CB 3.44Å; G254-L257 PolarHBondContact O-N 3.35Å; G254-L257 VanDerWaalsContact O-N 3.14Å; H255-L257 VanDerWaalsContact C-N 3.29Å; H255-L257 PolarHBondContact O-N 2.8Å; L257-G260 PolarHBondContact O-N 3.46Å; L257-L261 HydrophobicContact CD1-CD1 4.14Å; L257-L261 HydrophobicContact CD1-CG 4.32Å; L257-L261 HydrophobicContact CG-CD1 4.08Å; L257-L261 WeakPolarHBondContact O-CB 3.27Å; L257-L261 VanDerWaalsContact O-CG 3.25Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.47Å |
| 258 | C | 92.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | -178.3 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | E86 F92 G254 H255 G260 L261 A262 | E86-C258 HydrophobicContact CB-CB 4.12Å; F92-C258 WeakPolarHBondContact CE2-O 3.39Å; G254-C258 PolarHBondContact O-N 2.89Å; H255-C258 PolarHBondContact O-N 3.48Å; C258-G260 PolarHBondContact O-N 3.33Å; C258-L261 PolarHBondContact O-N 2.93Å; C258-A262 PolarHBondContact O-N 2.68Å |
| 259 | T | 92.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.3 | -48.7 | 0 | 0 | 0 | 0 | 111.4 | A95 L108 A111 M112 L115 H255 A262 V263 | A95-T259 HydrophobicContact CB-CG2 4.33Å; L108-T259 HydrophobicContact CD1-CG2 3.77Å; A111-T259 HydrophobicContact CB-CG2 3.79Å; M112-T259 HydrophobicContact SD-CG2 4.28Å; L115-T259 WeakPolarHBondContact CD1-OG1 3.18Å; H255-T259 WeakPolarHBondContact O-CB 3.26Å; H255-T259 PolarHBondContact O-N 3.49Å; H255-T259 PolarHBondContact O-OG1 2.92Å; T259-A262 PolarHBondContact O-N 3.38Å; T259-V263 HydrophobicContact CG2-CG2 4.19Å; T259-V263 WeakPolarHBondContact O-CB 3.26Å; T259-V263 VanDerWaalsContact O-CG2 3.27Å; T259-V263 WeakPolarHBondContact O-CG2 3.27Å; T259-V263 PolarHBondContact O-N 3.41Å |
| 260 | G | 92.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C256 L257 C258 V263 L264 | C256-G260 WeakPolarHBondContact O-CA 3.47Å; C256-G260 PolarHBondContact O-N 3.48Å; L257-G260 PolarHBondContact O-N 3.46Å; C258-G260 PolarHBondContact O-N 3.33Å; G260-V263 PolarHBondContact O-N 3.05Å; G260-L264 VanDerWaalsContact O-CB 3.22Å; G260-L264 WeakPolarHBondContact O-CB 3.45Å; G260-L264 VanDerWaalsContact O-CG 3.22Å; G260-L264 WeakPolarHBondContact O-CG 3.21Å; G260-L264 PolarHBondContact O-N 2.82Å |
| 261 | L | 90.9 | Very high | 87.6 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 175.3 | -72.6 | 170.5 | 0 | 0 | 0 | 112.1 | F92 L257 C258 G265 | F92-L261 HydrophobicContact CE2-CB 4.24Å; L257-L261 HydrophobicContact CD1-CD1 4.14Å; L257-L261 HydrophobicContact CD1-CG 4.32Å; L257-L261 HydrophobicContact CG-CD1 4.08Å; L257-L261 WeakPolarHBondContact O-CB 3.27Å; L257-L261 VanDerWaalsContact O-CG 3.25Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.47Å; C258-L261 PolarHBondContact O-N 2.93Å; L261-G265 WeakPolarHBondContact O-CA 3.28Å; L261-G265 PolarHBondContact O-N 3.02Å |
| 262 | A | 90.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F92 A95 A96 C258 T259 G266 | F92-A262 HydrophobicContact CD1-CB 4.39Å; F92-A262 HydrophobicContact CD2-CB 3.77Å; F92-A262 HydrophobicContact CE1-CB 4.35Å; F92-A262 HydrophobicContact CE2-CB 3.72Å; F92-A262 HydrophobicContact CG-CB 4.09Å; F92-A262 HydrophobicContact CZ-CB 4.01Å; F92-A262 WeakPolarHBondContact O-CB 3.28Å; A95-A262 HydrophobicContact CB-CB 3.84Å; A96-A262 WeakPolarHBondContact CA-O 3.47Å; A96-A262 HydrophobicContact CB-CB 4.23Å; C258-A262 PolarHBondContact O-N 2.68Å; T259-A262 PolarHBondContact O-N 3.38Å; A262-G266 WeakPolarHBondContact O-CA 3.24Å; A262-G266 PolarHBondContact O-N 3.44Å |
| 263 | V | 91.9 | Very high | 86 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | -175.6 | 170 | 0 | 0 | 0 | 0 | 112.6 | A95 A99 R104 V107 L108 T259 G260 | A95-V263 HydrophobicContact CB-CG2 4.28Å; A99-V263 HydrophobicContact CB-CB 4.04Å; A99-V263 HydrophobicContact CB-CG1 3.81Å; A99-V263 HydrophobicContact CB-CG2 4.09Å; R104-V263 HydrophobicContact CB-CG1 3.74Å; R104-V263 HydrophobicContact CG-CG1 4.31Å; V107-V263 HydrophobicContact CG1-CG2 4.37Å; L108-V263 HydrophobicContact CB-CG1 4.28Å; L108-V263 HydrophobicContact CB-CG2 4.39Å; L108-V263 HydrophobicContact CD1-CG2 4.22Å; T259-V263 HydrophobicContact CG2-CG2 4.19Å; T259-V263 WeakPolarHBondContact O-CB 3.26Å; T259-V263 VanDerWaalsContact O-CG2 3.27Å; T259-V263 WeakPolarHBondContact O-CG2 3.27Å; T259-V263 PolarHBondContact O-N 3.41Å; G260-V263 PolarHBondContact O-N 3.05Å |
| 264 | L | 88.5 | Confident | 85.5 | Confident | 126 Ų | 126 | 47 Ų | 47 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -79.9 | -39.3 | 179.3 | -65.8 | 175.5 | 0 | 0 | 0 | 112.1 | R104 G260 | R104-L264 PolarHBondContact NH1-O 2.91Å; G260-L264 VanDerWaalsContact O-CB 3.22Å; G260-L264 WeakPolarHBondContact O-CB 3.45Å; G260-L264 VanDerWaalsContact O-CG 3.22Å; G260-L264 WeakPolarHBondContact O-CG 3.21Å; G260-L264 PolarHBondContact O-N 2.82Å |
| 265 | G | 83.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.1 | -30.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L261 R267 M268 I269 | L261-G265 WeakPolarHBondContact O-CA 3.28Å; L261-G265 PolarHBondContact O-N 3.02Å; G265-R267 PolarHBondContact O-N 2.82Å; G265-M268 PolarHBondContact O-N 3.03Å; G265-I269 PolarHBondContact O-N 3.48Å |
| 266 | G | 82.1 | Confident | 85 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | 48 | -138.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A262 M268 I269 A270 | A262-G266 WeakPolarHBondContact O-CA 3.24Å; A262-G266 PolarHBondContact O-N 3.44Å; G266-M268 VanDerWaalsContact C-N 3.26Å; G266-M268 PolarHBondContact O-N 3.44Å; G266-I269 PolarHBondContact O-N 3.09Å; G266-A270 WeakPolarHBondContact O-CB 3.5Å; G266-A270 PolarHBondContact O-N 3.21Å |
| 267 | R | 74.2 | Confident | 84.7 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.9 | -33 | 178.6 | -176.5 | 168.6 | -174 | 123.7 | 5.8 | 114.1 | M100 G265 I269 Q271 | M100-R267 HydrophobicContact CE-CB 3.83Å; M100-R267 HydrophobicContact SD-CB 3.41Å; M100-R267 WeakPolarHBondContact SD-CB 3.44Å; M100-R267 PolarHBondContact SD-N 3.35Å; G265-R267 PolarHBondContact O-N 2.82Å; R267-I269 PolarHBondContact O-N 3.38Å; R267-Q271 HydrophobicContact CG-CG 3.85Å; R267-Q271 VanDerWaalsContact NH2-NE2 3.13Å; R267-Q271 WeakPolarHBondContact O-CB 3.3Å; R267-Q271 VanDerWaalsContact O-CG 3.31Å; R267-Q271 WeakPolarHBondContact O-CG 3.45Å; R267-Q271 PolarHBondContact O-N 3.27Å |
| 268 | M | 74.9 | Confident | 84.5 | Confident | 160 Ų | 160 | 47.9 Ų | 47.9 | 79% | 0.788 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.1 | -38.3 | -176.6 | -73.3 | -176.2 | 66.3 | 0 | 0 | 112.9 | G265 G266 K272 | G265-M268 PolarHBondContact O-N 3.03Å; G266-M268 VanDerWaalsContact C-N 3.26Å; G266-M268 PolarHBondContact O-N 3.44Å; M268-K272 VanDerWaalsContact O-CG 3.23Å; M268-K272 WeakPolarHBondContact O-CG 3.46Å |
| 269 | I | 73.9 | Confident | 84.4 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 28% | 0.277 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -82.3 | -42.4 | 176.1 | -66 | -169.2 | 0 | 0 | 0 | 110.2 | F92 G265 G266 R267 Q271 K272 I273 | F92-I269 HydrophobicContact CZ-CG2 4Å; G265-I269 PolarHBondContact O-N 3.48Å; G266-I269 PolarHBondContact O-N 3.09Å; R267-I269 PolarHBondContact O-N 3.38Å; I269-Q271 VanDerWaalsContact C-N 3.32Å; I269-Q271 PolarHBondContact O-N 3.37Å; I269-K272 PolarHBondContact O-N 2.88Å; I269-I273 HydrophobicContact CG2-CD1 3.51Å; I269-I273 HydrophobicContact CG2-CG1 4.04Å; I269-I273 PolarHBondContact O-N 3.35Å; I269-I273 VanDerWaalsContact O-N 3.09Å |
| 270 | A | 72.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | F93 A96 L168 G266 K272 | F93-A270 HydrophobicContact CD1-CB 4.03Å; F93-A270 HydrophobicContact CE1-CB 3.92Å; A96-A270 HydrophobicContact CB-CB 4.33Å; L168-A270 HydrophobicContact CD1-CB 3.92Å; G266-A270 WeakPolarHBondContact O-CB 3.5Å; G266-A270 PolarHBondContact O-N 3.21Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3Å |
| 271 | Q | 75.8 | Confident | 84.2 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 0.2 | 176.3 | -63.7 | -167.6 | -71.6 | 0 | 0 | 114.7 | L168 R267 I269 | L168-Q271 HydrophobicContact CD2-CG 3.7Å; R267-Q271 HydrophobicContact CG-CG 3.85Å; R267-Q271 VanDerWaalsContact NH2-NE2 3.13Å; R267-Q271 WeakPolarHBondContact O-CB 3.3Å; R267-Q271 VanDerWaalsContact O-CG 3.31Å; R267-Q271 WeakPolarHBondContact O-CG 3.45Å; R267-Q271 PolarHBondContact O-N 3.27Å; I269-Q271 VanDerWaalsContact C-N 3.32Å; I269-Q271 PolarHBondContact O-N 3.37Å |
| 272 | K | 77.8 | Confident | 84.1 | Confident | 151 Ų | 151 | 47 Ų | 47 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -18.1 | -179 | -70.2 | -64.2 | -175.8 | -172.3 | 0 | 113.7 | L16 M268 I269 A270 S274 | L16-K272 HydrophobicContact CD1-CB 4.34Å; L16-K272 WeakPolarHBondContact CD1-O 3.37Å; M268-K272 VanDerWaalsContact O-CG 3.23Å; M268-K272 WeakPolarHBondContact O-CG 3.46Å; I269-K272 PolarHBondContact O-N 2.88Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3Å; K272-S274 PolarHBondContact O-N 3.44Å |
| 273 | I | 78.3 | Confident | 84.1 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -78 | 118.7 | 172.7 | -69.1 | 173.6 | 0 | 0 | 0 | 109 | L16 L87 F92 I269 V275 V278 | L16-I273 HydrophobicContact CD1-CG1 4.37Å; L16-I273 HydrophobicContact CD2-CG1 4.47Å; L87-I273 HydrophobicContact CD1-CD1 3.79Å; L87-I273 HydrophobicContact CG-CD1 4.35Å; F92-I273 HydrophobicContact CE1-CD1 3.8Å; F92-I273 HydrophobicContact CE2-CD1 4.21Å; F92-I273 HydrophobicContact CZ-CD1 3.46Å; F92-I273 VanDerWaalsContact CZ-CD1 3.46Å; I269-I273 HydrophobicContact CG2-CD1 3.51Å; I269-I273 HydrophobicContact CG2-CG1 4.04Å; I269-I273 PolarHBondContact O-N 3.35Å; I269-I273 VanDerWaalsContact O-N 3.09Å; I273-V275 PolarHBondContact O-N 3.15Å; I273-V275 VanDerWaalsContact O-N 3.16Å; I273-V278 HydrophobicContact CG2-CG2 3.87Å |
| 274 | S | 86.4 | Confident | 84.2 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | trans | -75.9 | 97.8 | 167.3 | 170.1 | 0 | 0 | 0 | 0 | 108.4 | K272 R276 T277 V278 | K272-S274 PolarHBondContact O-N 3.44Å; S274-R276 PolarHBondContact O-N 2.64Å; S274-T277 WeakPolarHBondContact CB-OG1 3.28Å; S274-T277 WeakPolarHBondContact O-CB 3.37Å; S274-T277 PolarHBondContact O-N 2.77Å; S274-T277 WeakPolarHBondContact OG-CB 3.39Å; S274-T277 PolarHBondContact OG-N 2.79Å; S274-T277 VanDerWaalsContact OG-N 3.13Å; S274-T277 PolarHBondContact OG-OG1 2.91Å; S274-V278 PolarHBondContact O-N 3.28Å; S274-V278 VanDerWaalsContact O-N 3.09Å | ||
| 275 | V | 88.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -48.3 | -50.1 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | G88 F93 M159 G164 I273 T277 V278 T279 | G88-V275 WeakPolarHBondContact O-CG1 3.39Å; G88-V275 WeakPolarHBondContact O-CG2 3.46Å; F93-V275 HydrophobicContact CE2-CG2 3.62Å; F93-V275 HydrophobicContact CZ-CG2 3.54Å; M159-V275 HydrophobicContact CE-CG1 3.98Å; M159-V275 HydrophobicContact SD-CG1 4.18Å; G164-V275 VanDerWaalsContact CA-CG2 3.49Å; I273-V275 PolarHBondContact O-N 3.15Å; I273-V275 VanDerWaalsContact O-N 3.16Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.35Å; V275-V278 PolarHBondContact O-N 3.06Å; V275-T279 PolarHBondContact O-N 3.21Å; V275-T279 PolarHBondContact O-OG1 3.39Å |
| 276 | R | 89.1 | Confident | 84.5 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -44.8 | -49.9 | 171.9 | 177.2 | 164.6 | -158.9 | -155.8 | 8.7 | 113.9 | G156 L157 M159 S274 I280 | G156-R276 VanDerWaalsContact O-CG 3.28Å; G156-R276 WeakPolarHBondContact O-CG 3.3Å; G156-R276 PolarHBondContact O-NE 2.94Å; L157-R276 PolarHBondContact O-NH2 3.01Å; M159-R276 HydrophobicContact CB-CB 4.07Å; M159-R276 HydrophobicContact CB-CG 4.25Å; M159-R276 WeakPolarHBondContact O-CD 3.26Å; M159-R276 PolarHBondContact O-NE 3.16Å; S274-R276 PolarHBondContact O-N 2.64Å; R276-I280 HydrophobicContact CG-CD1 4.01Å; R276-I280 WeakPolarHBondContact O-CB 3.32Å; R276-I280 VanDerWaalsContact O-CG1 3.26Å; R276-I280 WeakPolarHBondContact O-CG1 3.37Å; R276-I280 PolarHBondContact O-N 3.01Å |
| 277 | T | 88.1 | Confident | 85 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 37% | 0.368 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.8 | -41.5 | -178.5 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | L20 S274 V275 I280 I281 | L20-T277 HydrophobicContact CD1-CG2 4.13Å; S274-T277 WeakPolarHBondContact CB-OG1 3.28Å; S274-T277 WeakPolarHBondContact O-CB 3.37Å; S274-T277 PolarHBondContact O-N 2.77Å; S274-T277 WeakPolarHBondContact OG-CB 3.39Å; S274-T277 PolarHBondContact OG-N 2.79Å; S274-T277 VanDerWaalsContact OG-N 3.13Å; S274-T277 PolarHBondContact OG-OG1 2.91Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.35Å; T277-I280 PolarHBondContact O-N 3.33Å; T277-I281 HydrophobicContact CG2-CD1 3.82Å; T277-I281 WeakPolarHBondContact O-CB 3.2Å; T277-I281 VanDerWaalsContact O-CG1 3.3Å; T277-I281 WeakPolarHBondContact O-CG1 3.34Å; T277-I281 PolarHBondContact O-N 3.29Å |
| 278 | V | 88.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | L87 I273 S274 V275 I280 I281 G282 | L87-V278 HydrophobicContact CB-CG1 4.02Å; L87-V278 HydrophobicContact CD2-CG1 4.22Å; L87-V278 HydrophobicContact CD2-CG2 4.04Å; L87-V278 HydrophobicContact CG-CG1 4.32Å; L87-V278 HydrophobicContact CG-CG2 4.27Å; L87-V278 VanDerWaalsContact O-CG1 3.22Å; L87-V278 WeakPolarHBondContact O-CG1 3.38Å; I273-V278 HydrophobicContact CG2-CG2 3.87Å; S274-V278 PolarHBondContact O-N 3.28Å; S274-V278 VanDerWaalsContact O-N 3.09Å; V275-V278 PolarHBondContact O-N 3.06Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-I280 PolarHBondContact O-N 2.94Å; V278-I281 PolarHBondContact O-N 3.14Å; V278-G282 PolarHBondContact O-N 3.37Å |
| 279 | T | 90.7 | Very high | 86.3 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 112.3 | M152 E155 M159 V275 G282 G283 | M152-T279 HydrophobicContact CB-CG2 4.12Å; M152-T279 HydrophobicContact CE-CG2 4.35Å; M152-T279 HydrophobicContact CG-CG2 4.5Å; M152-T279 WeakPolarHBondContact O-CG2 3.5Å; E155-T279 HydrophobicContact CB-CG2 4.28Å; E155-T279 HydrophobicContact CG-CG2 4.42Å; M159-T279 HydrophobicContact CE-CG2 4.5Å; M159-T279 HydrophobicContact SD-CG2 4.29Å; V275-T279 PolarHBondContact O-N 3.21Å; V275-T279 PolarHBondContact O-OG1 3.39Å; T279-G282 PolarHBondContact O-N 2.93Å; T279-G283 PolarHBondContact O-N 3.04Å |
| 280 | I | 91.3 | Very high | 87.1 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 173.6 | -72.3 | 169.4 | 0 | 0 | 0 | 111.1 | L153 L157 R276 T277 V278 G282 G283 I284 | L153-I280 HydrophobicContact CD1-CG2 4Å; L157-I280 HydrophobicContact CD2-CD1 4.36Å; R276-I280 HydrophobicContact CG-CD1 4.01Å; R276-I280 WeakPolarHBondContact O-CB 3.32Å; R276-I280 VanDerWaalsContact O-CG1 3.26Å; R276-I280 WeakPolarHBondContact O-CG1 3.37Å; R276-I280 PolarHBondContact O-N 3.01Å; T277-I280 PolarHBondContact O-N 3.33Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-I280 PolarHBondContact O-N 2.94Å; I280-G282 PolarHBondContact O-N 3.25Å; I280-G283 PolarHBondContact O-N 3.28Å; I280-G283 VanDerWaalsContact O-N 3.16Å; I280-I284 HydrophobicContact CG2-CD1 4.07Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.3Å |
| 281 | I | 90 | Very high | 87.8 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 178.7 | -71.1 | 169 | 0 | 0 | 0 | 110.3 | L20 L24 T277 V278 I284 V285 | L20-I281 HydrophobicContact CB-CD1 4.01Å; L20-I281 HydrophobicContact CD1-CD1 3.87Å; L20-I281 HydrophobicContact CD2-CD1 3.81Å; L20-I281 HydrophobicContact CD2-CG2 4.42Å; L20-I281 HydrophobicContact CG-CD1 4.11Å; L24-I281 HydrophobicContact CD1-CG2 4.4Å; T277-I281 HydrophobicContact CG2-CD1 3.82Å; T277-I281 WeakPolarHBondContact O-CB 3.2Å; T277-I281 VanDerWaalsContact O-CG1 3.3Å; T277-I281 WeakPolarHBondContact O-CG1 3.34Å; T277-I281 PolarHBondContact O-N 3.29Å; V278-I281 PolarHBondContact O-N 3.14Å; I281-I284 WeakPolarHBondContact O-CB 3.48Å; I281-I284 PolarHBondContact O-N 3.16Å; I281-V285 HydrophobicContact CG2-CG2 4.44Å; I281-V285 WeakPolarHBondContact O-CG2 3.49Å; I281-V285 PolarHBondContact O-N 3.37Å |
| 282 | G | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V278 T279 I280 I284 V285 F286 | V278-G282 PolarHBondContact O-N 3.37Å; T279-G282 PolarHBondContact O-N 2.93Å; I280-G282 PolarHBondContact O-N 3.25Å; G282-I284 PolarHBondContact O-N 3.42Å; G282-V285 PolarHBondContact O-N 2.91Å; G282-F286 WeakPolarHBondContact O-CB 3.43Å; G282-F286 VanDerWaalsContact O-CD2 3.31Å; G282-F286 WeakPolarHBondContact O-CD2 3.43Å; G282-F286 PolarHBondContact O-N 3.23Å |
| 283 | G | 91.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.6 | -45 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | G149 T279 I280 L287 | G149-G283 WeakPolarHBondContact CA-O 3.4Å; G149-G283 WeakPolarHBondContact O-CA 3.34Å; T279-G283 PolarHBondContact O-N 3.04Å; I280-G283 PolarHBondContact O-N 3.28Å; I280-G283 VanDerWaalsContact O-N 3.16Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 WeakPolarHBondContact O-CG 3.36Å; G283-L287 PolarHBondContact O-N 2.98Å |
| 284 | I | 92.7 | Very high | 88.6 | Confident | 79 Ų | 79 | 35 Ų | 35 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.2 | -46.6 | 178.8 | -64.6 | 165.4 | 0 | 0 | 0 | 112 | I280 I281 G282 L287 A288 | I280-I284 HydrophobicContact CG2-CD1 4.07Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.3Å; I281-I284 WeakPolarHBondContact O-CB 3.48Å; I281-I284 PolarHBondContact O-N 3.16Å; G282-I284 PolarHBondContact O-N 3.42Å; I284-L287 PolarHBondContact O-N 3.24Å; I284-A288 WeakPolarHBondContact O-CB 3.39Å; I284-A288 PolarHBondContact O-N 2.78Å |
| 285 | V | 88.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | -179.5 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | V84 I281 G282 L287 A288 F289 | V84-V285 HydrophobicContact CG1-CB 4.33Å; V84-V285 HydrophobicContact CG2-CG1 4.48Å; V84-V285 HydrophobicContact CG2-CG2 4.28Å; I281-V285 HydrophobicContact CG2-CG2 4.44Å; I281-V285 WeakPolarHBondContact O-CG2 3.49Å; I281-V285 PolarHBondContact O-N 3.37Å; G282-V285 PolarHBondContact O-N 2.91Å; V285-L287 VanDerWaalsContact C-N 3.35Å; V285-L287 PolarHBondContact O-N 3.48Å; V285-A288 WeakPolarHBondContact O-CB 3.4Å; V285-A288 PolarHBondContact O-N 3.09Å; V285-F289 HydrophobicContact CG1-CD2 3.9Å; V285-F289 HydrophobicContact CG1-CE2 3.69Å; V285-F289 VanDerWaalsContact O-CD2 3.28Å; V285-F289 WeakPolarHBondContact O-CD2 3.2Å; V285-F289 PolarHBondContact O-N 2.98Å |
| 286 | F | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 175.4 | -87.1 | -108.2 | 0 | 0 | 0 | 112.1 | V81 V84 S85 F145 F148 M152 A234 G282 F289 A290 | V81-F286 HydrophobicContact CG1-CE2 4.24Å; V81-F286 HydrophobicContact CG1-CZ 3.89Å; V84-F286 HydrophobicContact CG1-CD2 4.36Å; V84-F286 HydrophobicContact CG1-CE2 4.27Å; S85-F286 WeakPolarHBondContact OG-CE2 3.26Å; S85-F286 WeakPolarHBondContact OG-CZ 3.28Å; F145-F286 AromaticContact CD1-CD1 3.52Å; F145-F286 HydrophobicContact CD1-CD1 3.52Å; F145-F286 AromaticContact CD1-CE1 3.77Å; F145-F286 HydrophobicContact CD1-CE1 3.77Å; F145-F286 HydrophobicContact CD1-CG 4.46Å; F145-F286 HydrophobicContact CE1-CD1 4.04Å; F145-F286 AromaticContact CE1-CE1 3.95Å; F145-F286 HydrophobicContact CE1-CE1 3.95Å; F145-F286 HydrophobicContact CG-CD1 4.45Å; F148-F286 HydrophobicContact CB-CD1 3.5Å; F148-F286 HydrophobicContact CB-CE1 3.76Å; F148-F286 HydrophobicContact CB-CG 4.34Å; F148-F286 HydrophobicContact CD2-CD1 4.28Å; F148-F286 AromaticContact CD2-CE1 3.93Å; F148-F286 HydrophobicContact CD2-CE1 3.93Å; F148-F286 HydrophobicContact CG-CD1 4.34Å; F148-F286 HydrophobicContact CG-CE1 4.18Å; M152-F286 HydrophobicContact SD-CD2 4.13Å; M152-F286 HydrophobicContact SD-CE2 4.13Å; A234-F286 HydrophobicContact CB-CE1 4.09Å; A234-F286 HydrophobicContact CB-CZ 4.1Å; G282-F286 WeakPolarHBondContact O-CB 3.43Å; G282-F286 VanDerWaalsContact O-CD2 3.31Å; G282-F286 WeakPolarHBondContact O-CD2 3.43Å; G282-F286 PolarHBondContact O-N 3.23Å; F286-F289 PolarHBondContact O-N 3.43Å; F286-A290 PolarHBondContact O-N 3.42Å |
| 287 | L | 92.5 | Very high | 85.9 | Confident | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 172.3 | -74.6 | 174.1 | 0 | 0 | 0 | 112.4 | V150 L153 G283 I284 V285 A290 L291 | V150-L287 HydrophobicContact CG2-CD2 3.97Å; L153-L287 HydrophobicContact CD2-CD1 4.1Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 WeakPolarHBondContact O-CG 3.36Å; G283-L287 PolarHBondContact O-N 2.98Å; I284-L287 PolarHBondContact O-N 3.24Å; V285-L287 VanDerWaalsContact C-N 3.35Å; V285-L287 PolarHBondContact O-N 3.48Å; L287-A290 PolarHBondContact O-N 3.45Å; L287-L291 WeakPolarHBondContact O-CB 3.28Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.44Å |
| 288 | A | 89.2 | Confident | 84.6 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | I284 V285 L291 S292 | I284-A288 WeakPolarHBondContact O-CB 3.39Å; I284-A288 PolarHBondContact O-N 2.78Å; V285-A288 WeakPolarHBondContact O-CB 3.4Å; V285-A288 PolarHBondContact O-N 3.09Å; A288-L291 PolarHBondContact O-N 3.28Å; A288-S292 VanDerWaalsContact O-CB 3.32Å; A288-S292 WeakPolarHBondContact O-CB 3.48Å; A288-S292 PolarHBondContact O-N 3.32Å |
| 289 | F | 87.2 | Confident | 83 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 172 | -81.6 | -67.6 | 0 | 0 | 0 | 112.3 | A77 V81 F145 V285 F286 A293 | A77-F289 HydrophobicContact CB-CE1 3.95Å; A77-F289 HydrophobicContact CB-CZ 3.99Å; V81-F289 HydrophobicContact CG2-CD2 4.11Å; V81-F289 HydrophobicContact CG2-CE2 3.71Å; V81-F289 HydrophobicContact CG2-CZ 4.4Å; F145-F289 HydrophobicContact CD2-CB 3.7Å; F145-F289 HydrophobicContact CE2-CB 3.65Å; F145-F289 HydrophobicContact CE2-CD1 4.42Å; F145-F289 HydrophobicContact CE2-CG 4.05Å; F145-F289 HydrophobicContact CG-CB 4.33Å; F145-F289 HydrophobicContact CZ-CB 4.27Å; F145-F289 HydrophobicContact CZ-CG 4.34Å; V285-F289 HydrophobicContact CG1-CD2 3.9Å; V285-F289 HydrophobicContact CG1-CE2 3.69Å; V285-F289 VanDerWaalsContact O-CD2 3.28Å; V285-F289 WeakPolarHBondContact O-CD2 3.2Å; V285-F289 PolarHBondContact O-N 2.98Å; F286-F289 PolarHBondContact O-N 3.43Å; F289-A293 WeakPolarHBondContact O-CB 2.99Å; F289-A293 PolarHBondContact O-N 3.35Å |
| 290 | A | 89.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T142 F145 A146 F286 L287 A293 L294 | T142-A290 WeakPolarHBondContact CG2-O 3.31Å; F145-A290 HydrophobicContact CB-CB 3.96Å; A146-A290 HydrophobicContact CB-CB 3.94Å; F286-A290 PolarHBondContact O-N 3.42Å; L287-A290 PolarHBondContact O-N 3.45Å; A290-A293 PolarHBondContact O-N 3.15Å; A290-L294 WeakPolarHBondContact O-CG 3.22Å; A290-L294 PolarHBondContact O-N 3.44Å |
| 291 | L | 88.8 | Confident | 78.6 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 177.6 | -72.3 | 170.9 | 0 | 0 | 0 | 111.7 | L287 A288 A293 L294 F295 | L287-L291 WeakPolarHBondContact O-CB 3.28Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.44Å; A288-L291 PolarHBondContact O-N 3.28Å; L291-A293 VanDerWaalsContact C-N 3.25Å; L291-A293 PolarHBondContact O-N 3.48Å; L291-L294 WeakPolarHBondContact O-CB 3.11Å; L291-L294 PolarHBondContact O-N 2.97Å; L291-F295 WeakPolarHBondContact O-CD2 3.38Å; L291-F295 PolarHBondContact O-N 3.22Å |
| 292 | S | 83.6 | Confident | 75.9 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.2 | -44.8 | 173.7 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | A288 L294 F295 I296 | A288-S292 VanDerWaalsContact O-CB 3.32Å; A288-S292 WeakPolarHBondContact O-CB 3.48Å; A288-S292 PolarHBondContact O-N 3.32Å; S292-L294 PolarHBondContact O-N 3.32Å; S292-L294 VanDerWaalsContact O-N 3.15Å; S292-F295 PolarHBondContact O-N 3.23Å; S292-F295 VanDerWaalsContact O-N 3.15Å; S292-I296 WeakPolarHBondContact O-CB 3.28Å; S292-I296 WeakPolarHBondContact O-CD1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.46Å; S292-I296 PolarHBondContact O-N 3.08Å; S292-I296 WeakPolarHBondContact OG-CD1 3.46Å |
| 293 | A | 81.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y138 T142 F289 A290 L291 | Y138-A293 HydrophobicContact CE1-CB 4.46Å; Y138-A293 WeakPolarHBondContact CE1-O 3.29Å; Y138-A293 HydrophobicContact CE2-CB 4.49Å; Y138-A293 VanDerWaalsContact OH-CA 3.28Å; Y138-A293 WeakPolarHBondContact OH-CA 3.38Å; Y138-A293 PolarHBondContact OH-O 2.78Å; T142-A293 HydrophobicContact CG2-CB 4.13Å; T142-A293 WeakPolarHBondContact OG1-CB 3Å; F289-A293 WeakPolarHBondContact O-CB 2.99Å; F289-A293 PolarHBondContact O-N 3.35Å; A290-A293 PolarHBondContact O-N 3.15Å; L291-A293 VanDerWaalsContact C-N 3.25Å; L291-A293 PolarHBondContact O-N 3.48Å |
| 294 | L | 81.8 | Confident | 74.3 | Confident | 114 Ų | 114 | 80.3 Ų | 80.3 | 60% | 0.597 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -99.2 | -29.4 | 167 | -69.4 | 174.4 | 0 | 0 | 0 | 112.5 | T142 A290 L291 S292 | T142-L294 HydrophobicContact CG2-CD2 3.86Å; T142-L294 HydrophobicContact CG2-CG 3.94Å; A290-L294 WeakPolarHBondContact O-CG 3.22Å; A290-L294 PolarHBondContact O-N 3.44Å; L291-L294 WeakPolarHBondContact O-CB 3.11Å; L291-L294 PolarHBondContact O-N 2.97Å; S292-L294 PolarHBondContact O-N 3.32Å; S292-L294 VanDerWaalsContact O-N 3.15Å |
| 295 | F | 79.3 | Confident | 73.3 | Confident | 179 Ų | 179 | 80.3 Ų | 80.3 | 79% | 0.785 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -82.6 | -32.6 | 176.1 | -70.2 | -69.4 | 0 | 0 | 0 | 112.6 | L291 S292 K297 | L291-F295 WeakPolarHBondContact O-CD2 3.38Å; L291-F295 PolarHBondContact O-N 3.22Å; S292-F295 PolarHBondContact O-N 3.23Å; S292-F295 VanDerWaalsContact O-N 3.15Å; F295-K297 PolarHBondContact O-N 3.14Å |
| 296 | I | 70.1 | Confident | 72.4 | Confident | 59 Ų | 59 | 85 Ų | 85 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -74.5 | 121.5 | 166.2 | -61.3 | 158.6 | 0 | 0 | 0 | 106.9 | Q34 Y138 S292 | Q34-I296 VanDerWaalsContact NE2-CD1 3.31Å; Y138-I296 WeakPolarHBondContact OH-CB 3.33Å; Y138-I296 PolarHBondContact OH-O 3.03Å; S292-I296 WeakPolarHBondContact O-CB 3.28Å; S292-I296 WeakPolarHBondContact O-CD1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.46Å; S292-I296 PolarHBondContact O-N 3.08Å; S292-I296 WeakPolarHBondContact OG-CD1 3.46Å |
| 297 | K | 59.9 | Low | 71.3 | Confident | 181 Ų | 181 | 90.3 Ų | 90.3 | 79% | 0.787 | 50% | 0.499 | S | S | * | . | trans | -79 | 139 | 166.4 | -77.2 | -179.5 | 179 | 174.3 | 0 | 108.4 | F295 E299 | F295-K297 PolarHBondContact O-N 3.14Å; K297-E299 PolarHBondContact O-N 3.2Å | ||
| 298 | P | 59.6 | Low | 69.9 | Low | 31 Ų | 31 | 93.5 Ų | 93.5 | 20% | 0.201 | 52% | 0.517 | C | S | . | . | trans | -64.4 | 108.8 | 164 | 27.1 | -29.9 | 0 | 0 | 0 | 107.5 | I135 Y138 S300 | I135-P298 HydrophobicContact CD1-CB 3.84Å; I135-P298 HydrophobicContact CD1-CG 3.38Å; Y138-P298 HydrophobicContact CD1-CB 3.87Å; Y138-P298 HydrophobicContact CD1-CG 3.75Å; Y138-P298 HydrophobicContact CD2-CB 4.34Å; Y138-P298 HydrophobicContact CE1-CB 4.16Å; Y138-P298 HydrophobicContact CE1-CG 3.97Å; Y138-P298 HydrophobicContact CG-CB 3.96Å; Y138-P298 HydrophobicContact CG-CG 4.32Å; P298-S300 PolarHBondContact O-N 2.83Å; P298-S300 VanDerWaalsContact O-N 3.16Å | ||
| 299 | E | 56.2 | Low | 68.5 | Low | 180 Ų | 180 | 96.8 Ų | 96.8 | 84% | 0.841 | 53% | 0.526 | S | S | * | . | trans | -46.1 | 122 | 163.4 | -75.4 | -75.6 | 146.4 | 0 | 0 | 107.5 | K297 G301 | K297-E299 PolarHBondContact O-N 3.2Å; E299-G301 PolarHBondContact O-N 2.84Å | ||
| 300 | S | 46.7 | Very low | 67 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 78% | 0.783 | 56% | 0.555 | S | S | * | * | trans | -76.3 | 72 | -176.7 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | P298 L302 | P298-S300 PolarHBondContact O-N 2.83Å; P298-S300 VanDerWaalsContact O-N 3.16Å; S300-L302 PolarHBondContact O-N 3.36Å; S300-L302 VanDerWaalsContact O-N 3.16Å | ||
| 301 | G | 42.1 | Very low | 65.2 | Low | 72 Ų | 72 | 109.8 Ų | 109.8 | 74% | 0.742 | 60% | 0.599 | S | S | * | * | trans | -64.5 | 107.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | E299 | E299-G301 PolarHBondContact O-N 2.84Š| ||
| 302 | L | 33 | Very low | 63 | Low | 246 Ų | 246 | 111.3 Ų | 111.3 | 100% | 1.288 | 61% | 0.609 | S | S | * | * | trans | -63.1 | 0 | 155.2 | -91.6 | 156.5 | 0 | 0 | 0 | 110.1 | S300 | S300-L302 PolarHBondContact O-N 3.36Å; S300-L302 VanDerWaalsContact O-N 3.16Å |
Retrieved 302 of 302 residues in 419.3 ms
(Link to these results)