| 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 | 54.6 | Low | 71.2 | Confident | 209 Ų | 209 | 117.6 Ų | 117.6 | 100% | 1.03 | 63% | 0.634 | S | S | * | * | 0 | -8.2 | 0 | -66.7 | -152.7 | -70.2 | 0 | 0 | 115.1 | |||||
| 2 | S | 60.2 | Low | 72.1 | Confident | 100 Ų | 100 | 112.3 Ų | 112.3 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.2 | -34.3 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 114.4 | S4 F6 | S2-S4 PolarHBondContact O-N 3.36Å; S2-F6 WeakPolarHBondContact O-CB 3.48Å; S2-F6 PolarHBondContact O-N 3.26Å |
| 3 | A | 64.8 | Low | 73 | Confident | 71 Ų | 71 | 105.7 Ų | 105.7 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.8 | -32.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R7 | A3-R7 WeakPolarHBondContact O-CG 3.19Å; A3-R7 PolarHBondContact O-N 3.24Å |
| 4 | S | 62.9 | Low | 73.9 | Confident | 84 Ų | 84 | 105.2 Ų | 105.2 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.9 | -38.9 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | S2 F6 R7 G8 | S2-S4 PolarHBondContact O-N 3.36Å; S4-F6 VanDerWaalsContact C-N 3.32Å; S4-R7 PolarHBondContact O-N 3.26Å; S4-G8 PolarHBondContact O-N 2.93Å |
| 5 | L | 70.6 | Confident | 74.5 | Confident | 118 Ų | 118 | 100.9 Ų | 100.9 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.6 | -41.1 | 170.7 | -74.7 | 171.2 | 0 | 0 | 0 | 110.9 | G8 L9 | L5-G8 PolarHBondContact O-N 3.42Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 PolarHBondContact O-N 2.8Å |
| 6 | F | 74.1 | Confident | 75.2 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 175.5 | -169.8 | -99.7 | 0 | 0 | 0 | 113 | S2 S4 L9 T10 | S2-F6 WeakPolarHBondContact O-CB 3.48Å; S2-F6 PolarHBondContact O-N 3.26Å; S4-F6 VanDerWaalsContact C-N 3.32Å; F6-L9 PolarHBondContact O-N 2.96Å; F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CE1-CG2 3.55Å; F6-T10 HydrophobicContact CE2-CG2 4.34Å; F6-T10 HydrophobicContact CG-CG2 4.47Å; F6-T10 HydrophobicContact CZ-CG2 3.78Å; F6-T10 WeakPolarHBondContact O-CB 3.35Å; F6-T10 VanDerWaalsContact O-CG2 3.29Å; F6-T10 WeakPolarHBondContact O-CG2 3.18Å; F6-T10 PolarHBondContact O-N 3.13Å; F6-T10 PolarHBondContact O-OG1 3.38Å |
| 7 | R | 75.8 | Confident | 75.7 | Confident | 184 Ų | 184 | 103 Ų | 103 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.8 | -36.9 | 174.4 | -74.7 | -179.1 | -178.1 | 179.2 | 1.3 | 112.7 | A3 S4 T10 K11 | A3-R7 WeakPolarHBondContact O-CG 3.19Å; A3-R7 PolarHBondContact O-N 3.24Å; S4-R7 PolarHBondContact O-N 3.26Å; R7-T10 VanDerWaalsContact CA-OG1 3.26Å; R7-T10 WeakPolarHBondContact CA-OG1 3.4Å; R7-T10 PolarHBondContact O-OG1 3.09Å; R7-K11 WeakPolarHBondContact O-CB 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.38Å; R7-K11 PolarHBondContact O-N 3.02Å; R7-K11 VanDerWaalsContact O-N 3.11Å |
| 8 | G | 76.8 | Confident | 76 | Confident | 40 Ų | 40 | 99.9 Ų | 99.9 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -47.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S4 L5 T10 K11 A12 | S4-G8 PolarHBondContact O-N 2.93Å; L5-G8 PolarHBondContact O-N 3.42Å; G8-T10 PolarHBondContact O-N 3.45Å; G8-K11 PolarHBondContact O-N 3.39Å; G8-A12 VanDerWaalsContact O-CB 3.28Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.08Å |
| 9 | L | 79.4 | Confident | 76.2 | Confident | 127 Ų | 127 | 97.4 Ų | 97.4 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -38.3 | 177.6 | -116.7 | 95.9 | 0 | 0 | 0 | 112.6 | L5 F6 G13 | L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 PolarHBondContact O-N 2.8Å; F6-L9 PolarHBondContact O-N 2.96Å; L9-G13 WeakPolarHBondContact O-CA 3.41Å; L9-G13 PolarHBondContact O-N 3.43Å |
| 10 | T | 80 | Confident | 76.3 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 35% | 0.35 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.2 | -42 | 177.7 | 45 | 0 | 0 | 0 | 0 | 111.5 | F6 R7 G8 G13 V14 | F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CE1-CG2 3.55Å; F6-T10 HydrophobicContact CE2-CG2 4.34Å; F6-T10 HydrophobicContact CG-CG2 4.47Å; F6-T10 HydrophobicContact CZ-CG2 3.78Å; F6-T10 WeakPolarHBondContact O-CB 3.35Å; F6-T10 VanDerWaalsContact O-CG2 3.29Å; F6-T10 WeakPolarHBondContact O-CG2 3.18Å; F6-T10 PolarHBondContact O-N 3.13Å; F6-T10 PolarHBondContact O-OG1 3.38Å; R7-T10 VanDerWaalsContact CA-OG1 3.26Å; R7-T10 WeakPolarHBondContact CA-OG1 3.4Å; R7-T10 PolarHBondContact O-OG1 3.09Å; G8-T10 PolarHBondContact O-N 3.45Å; T10-G13 PolarHBondContact O-N 2.91Å; T10-V14 WeakPolarHBondContact O-CB 3.4Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.43Å; T10-V14 PolarHBondContact O-N 2.9Å |
| 11 | K | 83.4 | Confident | 76.6 | Confident | 168 Ų | 168 | 94.7 Ų | 94.7 | 73% | 0.73 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -44.3 | 172.6 | -73.2 | -179.1 | -179.7 | -172.5 | 0 | 112 | R7 G8 G15 | R7-K11 WeakPolarHBondContact O-CB 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.38Å; R7-K11 PolarHBondContact O-N 3.02Å; R7-K11 VanDerWaalsContact O-N 3.11Å; G8-K11 PolarHBondContact O-N 3.39Å; K11-G15 PolarHBondContact O-N 3.26Å |
| 12 | A | 82.9 | Confident | 77.8 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G8 G15 L16 | G8-A12 VanDerWaalsContact O-CB 3.28Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.08Å; A12-G15 PolarHBondContact O-N 3.34Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 2.94Å |
| 13 | G | 83 | Confident | 78.6 | Confident | 26 Ų | 26 | 88.9 Ų | 88.9 | 27% | 0.268 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 T10 G15 L16 L17 | L9-G13 WeakPolarHBondContact O-CA 3.41Å; L9-G13 PolarHBondContact O-N 3.43Å; T10-G13 PolarHBondContact O-N 2.91Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.3Å; G13-L16 PolarHBondContact O-N 3.25Å; G13-L17 WeakPolarHBondContact O-CB 3.38Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 2.86Å |
| 14 | V | 85.4 | Confident | 79.2 | Confident | 99 Ų | 99 | 90 Ų | 90 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -41.3 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | T10 L17 A18 | T10-V14 WeakPolarHBondContact O-CB 3.4Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.43Å; T10-V14 PolarHBondContact O-N 2.9Å; V14-L17 PolarHBondContact O-N 3.46Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.18Å; V14-A18 PolarHBondContact O-N 3.4Å |
| 15 | G | 84 | Confident | 80 | Confident | 40 Ų | 40 | 90.9 Ų | 90.9 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K11 A12 G13 A18 A19 | K11-G15 PolarHBondContact O-N 3.26Å; A12-G15 PolarHBondContact O-N 3.34Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.3Å; G15-A18 PolarHBondContact O-N 3.45Å; G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.44Å |
| 16 | L | 85.3 | Confident | 80.6 | Confident | 125 Ų | 125 | 86.7 Ų | 86.7 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 176.3 | -76.3 | 169.1 | 0 | 0 | 0 | 112.3 | A12 G13 A19 S20 | A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 2.94Å; G13-L16 PolarHBondContact O-N 3.25Å; L16-A19 PolarHBondContact O-N 3.48Å; L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.48Å; L16-S20 PolarHBondContact O-OG 2.99Å |
| 17 | L | 83.7 | Confident | 81.2 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 175.7 | -71 | 174.3 | 0 | 0 | 0 | 112.1 | G13 V14 S20 S21 | G13-L17 WeakPolarHBondContact O-CB 3.38Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 2.86Å; V14-L17 PolarHBondContact O-N 3.46Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-OG 3.43Å; L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.17Å |
| 18 | A | 81.6 | Confident | 81.7 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V14 G15 S21 I22 | V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.18Å; V14-A18 PolarHBondContact O-N 3.4Å; G15-A18 PolarHBondContact O-N 3.45Å; A18-S21 PolarHBondContact O-N 2.77Å; A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 VanDerWaalsContact O-CG1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.37Å; A18-I22 PolarHBondContact O-N 3.16Å |
| 19 | A | 78.7 | Confident | 82.2 | Confident | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G15 L16 S21 I22 L23 | G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 3.48Å; A19-S21 VanDerWaalsContact C-N 3.27Å; A19-S21 PolarHBondContact O-N 3.19Å; A19-I22 PolarHBondContact O-N 3.39Å; A19-I22 VanDerWaalsContact O-N 3.13Å; A19-L23 WeakPolarHBondContact O-CG 3.45Å; A19-L23 PolarHBondContact O-N 3.07Å; A19-L23 VanDerWaalsContact O-N 3.15Å |
| 20 | S | 79.6 | Confident | 82.7 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 178.9 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | L16 L17 I22 P24 | L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.48Å; L16-S20 PolarHBondContact O-OG 2.99Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-OG 3.43Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-P24 WeakPolarHBondContact O-CD 3.46Å |
| 21 | S | 80.9 | Confident | 83.2 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 54% | 0.538 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.6 | -27.8 | 176 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | L17 A18 A19 | L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.17Å; A18-S21 PolarHBondContact O-N 2.77Å; A19-S21 VanDerWaalsContact C-N 3.27Å; A19-S21 PolarHBondContact O-N 3.19Å |
| 22 | I | 80 | Confident | 83.5 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -85.8 | -30.2 | -178.7 | -64 | 162.7 | 0 | 0 | 0 | 111.7 | A18 A19 S20 L25 V26 | A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 VanDerWaalsContact O-CG1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.37Å; A18-I22 PolarHBondContact O-N 3.16Å; A19-I22 PolarHBondContact O-N 3.39Å; A19-I22 VanDerWaalsContact O-N 3.13Å; S20-I22 VanDerWaalsContact C-N 3.33Å; I22-L25 WeakPolarHBondContact O-CB 3.5Å; I22-L25 PolarHBondContact O-N 3.27Å; I22-V26 HydrophobicContact CG2-CG2 3.57Å; I22-V26 WeakPolarHBondContact O-CG2 3.39Å; I22-V26 PolarHBondContact O-N 2.96Å; I22-V26 VanDerWaalsContact O-N 3.1Å |
| 23 | L | 77.7 | Confident | 83.8 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -49.4 | -49.8 | 179.7 | -73.7 | 173.2 | 0 | 0 | 0 | 114.9 | A19 L25 V26 L27 | A19-L23 WeakPolarHBondContact O-CG 3.45Å; A19-L23 PolarHBondContact O-N 3.07Å; A19-L23 VanDerWaalsContact O-N 3.15Å; L23-L25 PolarHBondContact O-N 3.43Å; L23-V26 PolarHBondContact O-N 3.34Å; L23-L27 PolarHBondContact O-N 2.95Å; L23-L27 VanDerWaalsContact O-N 3.14Å |
| 24 | P | 78 | Confident | 84.3 | Confident | 95 Ų | 95 | 68 Ų | 68 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.9 | -17.4 | 179.5 | 27.4 | -35.4 | 0 | 0 | 0 | 113.6 | S20 | S20-P24 WeakPolarHBondContact O-CD 3.46Å |
| 25 | L | 78.6 | Confident | 84.6 | Confident | 102 Ų | 102 | 67.3 Ų | 67.3 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -87.2 | -22.1 | 176 | -62.7 | 173.3 | 0 | 0 | 0 | 112.7 | I22 L23 P59 | I22-L25 WeakPolarHBondContact O-CB 3.5Å; I22-L25 PolarHBondContact O-N 3.27Å; L23-L25 PolarHBondContact O-N 3.43Å; L25-P59 HydrophobicContact CB-CB 4.13Å; L25-P59 HydrophobicContact CB-CG 4.46Å |
| 26 | V | 83.2 | Confident | 84.9 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -88.9 | -32.6 | -179.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I22 L23 F56 I57 P59 | I22-V26 HydrophobicContact CG2-CG2 3.57Å; I22-V26 WeakPolarHBondContact O-CG2 3.39Å; I22-V26 PolarHBondContact O-N 2.96Å; I22-V26 VanDerWaalsContact O-N 3.1Å; L23-V26 PolarHBondContact O-N 3.34Å; V26-F56 HydrophobicContact CG1-CB 4.28Å; V26-F56 HydrophobicContact CG1-CD1 3.81Å; V26-F56 CarbonylContact O-C 3.56Å; V26-F56 WeakPolarHBondContact O-CA 3.42Å; V26-I57 WeakPolarHBondContact CA-O 3.39Å; V26-I57 WeakPolarHBondContact CG1-O 3.35Å; V26-I57 VanDerWaalsContact O-CG1 3.23Å; V26-I57 WeakPolarHBondContact O-CG1 3.39Å; V26-I57 PolarHBondContact O-N 3.09Å; V26-P59 HydrophobicContact CG2-CG 4.06Å |
| 27 | L | 86.4 | Confident | 85.2 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.7 | -178.8 | -64.4 | 175.2 | 0 | 0 | 0 | 110.8 | L23 T54 F56 | L23-L27 PolarHBondContact O-N 2.95Å; L23-L27 VanDerWaalsContact O-N 3.14Å; L27-T54 HydrophobicContact CB-CG2 4.45Å; L27-T54 HydrophobicContact CD2-CG2 3.9Å; L27-F56 HydrophobicContact CD2-CD1 3.54Å; L27-F56 HydrophobicContact CD2-CE1 3.34Å; L27-F56 HydrophobicContact CD2-CE2 4.42Å; L27-F56 HydrophobicContact CD2-CG 4.17Å; L27-F56 HydrophobicContact CD2-CZ 3.82Å; L27-F56 HydrophobicContact CG-CE1 4.49Å |
| 28 | Y | 86.8 | Confident | 85.5 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.5 | 165.9 | 75.9 | -74.2 | 0 | 0 | 0 | 109.6 | V30 A36 H55 I57 P64 | Y28-V30 HydrophobicContact CD2-CG2 3.96Å; Y28-V30 HydrophobicContact CE2-CG2 3.48Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.48Å; Y28-A36 HydrophobicContact CE2-CB 3.86Å; Y28-H55 HydrophobicContact CD1-CB 3.96Å; Y28-H55 WeakPolarHBondContact CD1-O 3.2Å; Y28-H55 HydrophobicContact CE1-CB 3.22Å; Y28-H55 HydrophobicContact CE2-CB 4.12Å; Y28-H55 PolarHBondContact N-O 3.21Å; Y28-H55 PolarHBondContact O-N 2.94Å; Y28-H55 WeakPolarHBondContact OH-CB 3.45Å; Y28-I57 HydrophobicContact CD1-CB 4.14Å; Y28-I57 HydrophobicContact CD1-CD1 4.21Å; Y28-I57 HydrophobicContact CD1-CG1 3.84Å; Y28-I57 HydrophobicContact CD1-CG2 3.47Å; Y28-I57 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I57 HydrophobicContact CE1-CB 4.24Å; Y28-I57 HydrophobicContact CE1-CG1 4.45Å; Y28-I57 HydrophobicContact CE1-CG2 3.2Å; Y28-I57 HydrophobicContact CG-CG2 4.5Å; Y28-P64 HydrophobicContact CD2-CB 3.94Å; Y28-P64 HydrophobicContact CD2-CG 4.13Å; Y28-P64 HydrophobicContact CE2-CB 3.85Å; Y28-P64 HydrophobicContact CE2-CG 4.5Å; Y28-P64 HydrophobicContact CG-CB 4.44Å; Y28-P64 HydrophobicContact CG-CG 4.24Å |
| 29 | N | 88.6 | Confident | 85.9 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.5 | 179.4 | -66.9 | 4.9 | 0 | 0 | 0 | 109.2 | T54 | N29-T54 WeakPolarHBondContact OD1-CB 3.43Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.46Å; N29-T54 PolarHBondContact OD1-OG1 3.09Å |
| 30 | V | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120 | 169.7 | -177 | 0 | 0 | 0 | 0 | 107.5 | Y28 H34 A36 G51 G53 | Y28-V30 HydrophobicContact CD2-CG2 3.96Å; Y28-V30 HydrophobicContact CE2-CG2 3.48Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.48Å; V30-H34 HydrophobicContact CG1-CB 3.98Å; V30-H34 WeakPolarHBondContact CG1-O 3.12Å; V30-A36 HydrophobicContact CG2-CB 3.77Å; V30-G51 WeakPolarHBondContact CB-O 3.25Å; V30-G51 WeakPolarHBondContact CG1-O 3.23Å; V30-G53 PolarHBondContact N-O 3.04Å; V30-G53 PolarHBondContact O-N 2.88Å |
| 31 | D | 89.7 | Confident | 86.7 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | trans | -71.6 | 160.4 | 178.5 | -171.5 | 29.9 | 0 | 0 | 0 | 111.8 | G33 H34 R70 | D31-G33 PolarHBondContact O-N 2.9Å; D31-H34 WeakPolarHBondContact O-CB 3.29Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; D31-R70 IonicContact OD2-NH2 3.84Å | ||
| 32 | G | 89.4 | Confident | 87 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H34 E52 R70 | G32-H34 PolarHBondContact O-N 2.99Å; G32-H34 PolarHBondContact O-ND1 3.37Å; G32-E52 WeakPolarHBondContact CA-OE2 3.27Å; G32-R70 PolarHBondContact O-NH2 3.28Å |
| 33 | G | 90.1 | Very high | 87.2 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 12 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | D31 I69 | D31-G33 PolarHBondContact O-N 2.9Å; G33-I69 VanDerWaalsContact C-CG1 3.47Å; G33-I69 WeakPolarHBondContact O-CG1 3.37Å; G33-I69 PolarHBondContact O-N 3.49Å |
| 34 | H | 93.2 | Very high | 87.7 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 157.4 | 167.2 | -65.3 | 77.1 | 0 | 0 | 0 | 110.7 | V30 D31 G32 I66 F67 | V30-H34 HydrophobicContact CG1-CB 3.98Å; V30-H34 WeakPolarHBondContact CG1-O 3.12Å; D31-H34 WeakPolarHBondContact O-CB 3.29Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; G32-H34 PolarHBondContact O-N 2.99Å; G32-H34 PolarHBondContact O-ND1 3.37Å; H34-I66 HydrophobicContact CB-CG2 3.65Å; H34-F67 CarbonylContact C-O 3.25Å; H34-F67 WeakPolarHBondContact CA-O 3.32Å; H34-F67 WeakPolarHBondContact CB-O 3.45Å |
| 35 | R | 92.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.9 | 169.7 | -71.7 | -142.2 | -173.6 | 177.4 | 0.8 | 111.2 | V49 R50 F67 I69 P100 L103 | R35-V49 HydrophobicContact CB-CG1 3.71Å; R35-V49 VanDerWaalsContact CD-CG1 3.46Å; R35-V49 HydrophobicContact CG-CG1 4.23Å; R35-R50 WeakPolarHBondContact CA-O 3.37Å; R35-F67 PolarHBondContact N-O 3.2Å; R35-F67 PolarHBondContact O-N 2.92Å; R35-I69 HydrophobicContact CB-CG2 4.16Å; R35-I69 HydrophobicContact CG-CD1 4.03Å; R35-I69 HydrophobicContact CG-CG1 4.43Å; R35-I69 HydrophobicContact CG-CG2 4.03Å; R35-P100 VanDerWaalsContact NH1-CB 3.27Å; R35-L103 HydrophobicContact CB-CD1 3.72Å |
| 36 | A | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y28 V30 R50 I65 I66 | Y28-A36 HydrophobicContact CE2-CB 3.86Å; V30-A36 HydrophobicContact CG2-CB 3.77Å; A36-R50 HydrophobicContact CB-CB 4.35Å; A36-R50 PolarHBondContact N-O 3.08Å; A36-R50 PolarHBondContact O-N 3.2Å; A36-I65 CarbonylContact C-O 3.58Å; A36-I65 WeakPolarHBondContact CA-O 3.34Å; A36-I66 HydrophobicContact CB-CG1 4.47Å |
| 37 | V | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.5 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 108 | V45 I65 F67 L103 P104 | V37-V45 HydrophobicContact CG1-CG1 3.49Å; V37-V45 VanDerWaalsContact CG1-CG1 3.49Å; V37-I65 PolarHBondContact N-O 2.86Å; V37-I65 PolarHBondContact O-N 3.18Å; V37-F67 HydrophobicContact CB-CD2 4.4Å; V37-F67 HydrophobicContact CB-CE2 4.11Å; V37-F67 HydrophobicContact CG2-CD2 3.86Å; V37-F67 HydrophobicContact CG2-CE2 3.82Å; V37-L103 HydrophobicContact CG2-CB 3.74Å; V37-P104 HydrophobicContact CG1-CB 4.39Å; V37-P104 HydrophobicContact CG1-CG 4.45Å; V37-P104 HydrophobicContact CG2-CG 4.44Å |
| 38 | I | 89.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.5 | -177.8 | -58.3 | 175 | 0 | 0 | 0 | 109.6 | R46 R50 Q62 | I38-R46 PolarHBondContact O-N 3.08Å; I38-R50 HydrophobicContact CD1-CG 3.85Å; I38-R50 HydrophobicContact CG1-CG 4.44Å; I38-Q62 HydrophobicContact CG2-CB 3.98Å; I38-Q62 HydrophobicContact CG2-CG 4.35Å |
| 39 | F | 88.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.2 | 168.7 | -179.4 | -96.4 | 0 | 0 | 0 | 110.1 | V45 Q62 K63 I65 | F39-V45 HydrophobicContact CD2-CG2 3.76Å; F39-V45 HydrophobicContact CE2-CG2 4.42Å; F39-Q62 CarbonylContact O-C 3.49Å; F39-Q62 WeakPolarHBondContact O-CA 3.44Å; F39-K63 PolarHBondContact N-O 3.31Å; F39-K63 PolarHBondContact O-N 3.08Å; F39-I65 HydrophobicContact CB-CD1 4.27Å |
| 40 | D | 89.1 | Confident | 88.8 | Confident | 14 Ų | 14 | 63 Ų | 63 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.3 | 170.6 | -71.9 | -12.6 | 0 | 0 | 0 | 109.7 | F42 K43 G44 R46 Q62 | D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.14Å; D40-K43 HydrophobicContact CB-CB 4.12Å; D40-G44 WeakPolarHBondContact CB-O 3.42Å; D40-G44 PolarHBondContact N-O 2.96Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 3.47Å; D40-R46 VanDerWaalsContact OD2-CD 3.28Å; D40-R46 WeakPolarHBondContact OD2-CD 3.49Å; D40-R46 WeakPolarHBondContact OD2-CG 3.42Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.5Å; D40-Q62 PolarHBondContact OD1-NE2 3.23Å |
| 41 | R | 85.7 | Confident | 88.8 | Confident | 174 Ų | 174 | 64.1 Ų | 64.1 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.8 | 177.7 | -171.1 | -178.3 | -63.5 | -140.1 | 0.3 | 113.7 | W60 V61 | R41-W60 PolarHBondContact NE-O 3.02Å; R41-W60 PolarHBondContact NH2-O 3.19Å; R41-V61 WeakPolarHBondContact CB-O 3.32Å; R41-V61 PolarHBondContact N-O 3.18Å |
| 42 | F | 87.5 | Confident | 88.8 | Confident | 168 Ų | 168 | 65.6 Ų | 65.6 | 74% | 0.737 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -33.3 | -176.3 | -61.1 | -71.4 | 0 | 0 | 0 | 114.4 | D40 V61 | D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.14Å; F42-V61 HydrophobicContact CD2-CG1 3.77Å; F42-V61 HydrophobicContact CE2-CG1 4Å; F42-V61 HydrophobicContact CE2-CG2 4.12Å |
| 43 | K | 84.1 | Confident | 88.9 | Confident | 184 Ų | 184 | 66 Ų | 66 | 80% | 0.8 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -5.1 | -174.2 | -67.8 | -176.4 | 178.8 | -179.4 | 0 | 113.3 | D40 | D40-K43 HydrophobicContact CB-CB 4.12Š|
| 44 | G | 88 | Confident | 88.9 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | -154 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D40 R46 | D40-G44 WeakPolarHBondContact CB-O 3.42Å; D40-G44 PolarHBondContact N-O 2.96Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 3.47Å; G44-R46 PolarHBondContact O-N 3.33Å |
| 45 | V | 87.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.2 | -177.5 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | V37 F39 P104 Y107 Q108 | V37-V45 HydrophobicContact CG1-CG1 3.49Å; V37-V45 VanDerWaalsContact CG1-CG1 3.49Å; F39-V45 HydrophobicContact CD2-CG2 3.76Å; F39-V45 HydrophobicContact CE2-CG2 4.42Å; V45-P104 HydrophobicContact CG1-CB 3.93Å; V45-Y107 HydrophobicContact CG1-CD1 4.44Å; V45-Y107 HydrophobicContact CG2-CD1 3.65Å; V45-Y107 HydrophobicContact CG2-CE1 3.84Å; V45-Q108 HydrophobicContact CB-CG 3.94Å; V45-Q108 HydrophobicContact CG1-CG 4.28Å; V45-Q108 HydrophobicContact CG2-CG 3.95Å |
| 46 | R | 86.3 | Confident | 88.5 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 146.6 | 176.3 | -63.1 | -168.7 | 73.8 | -177.1 | 0.2 | 110.9 | I38 D40 G44 D48 | I38-R46 PolarHBondContact O-N 3.08Å; D40-R46 VanDerWaalsContact OD2-CD 3.28Å; D40-R46 WeakPolarHBondContact OD2-CD 3.49Å; D40-R46 WeakPolarHBondContact OD2-CG 3.42Å; G44-R46 PolarHBondContact O-N 3.33Å; R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 3.48Å |
| 47 | P | 85.1 | Confident | 88.4 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 75% | 0.747 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -16 | 178.2 | 30.7 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 48 | D | 86.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.1 | -178.3 | -177.1 | 36.4 | 0 | 0 | 0 | 110.8 | R46 R50 | R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 3.48Å; D48-R50 IonicContact OD2-CZ 3.28Å; D48-R50 IonicContact OD2-NE 3.68Å; D48-R50 PolarHBondContact OD2-NE 3.19Å; D48-R50 IonicContact OD2-NH2 2.88Å |
| 49 | V | 89.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.4 | -180 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | R35 P100 L103 P104 | R35-V49 HydrophobicContact CB-CG1 3.71Å; R35-V49 VanDerWaalsContact CD-CG1 3.46Å; R35-V49 HydrophobicContact CG-CG1 4.23Å; V49-P100 WeakPolarHBondContact CG2-O 3.45Å; V49-L103 HydrophobicContact CG1-CD1 4.04Å; V49-L103 HydrophobicContact CG2-CB 4.34Å; V49-P104 VanDerWaalsContact CG2-CD 3.45Å; V49-P104 HydrophobicContact CG2-CG 3.5Å; V49-P104 VanDerWaalsContact CG2-CG 3.5Å |
| 50 | R | 90.4 | Very high | 87.5 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.5 | 179.9 | -60 | -56.1 | -177.4 | 89.2 | -4.8 | 110.8 | R35 A36 I38 D48 | R35-R50 WeakPolarHBondContact CA-O 3.37Å; A36-R50 HydrophobicContact CB-CB 4.35Å; A36-R50 PolarHBondContact N-O 3.08Å; A36-R50 PolarHBondContact O-N 3.2Å; I38-R50 HydrophobicContact CD1-CG 3.85Å; I38-R50 HydrophobicContact CG1-CG 4.44Å; D48-R50 IonicContact OD2-CZ 3.28Å; D48-R50 IonicContact OD2-NE 3.68Å; D48-R50 PolarHBondContact OD2-NE 3.19Å; D48-R50 IonicContact OD2-NH2 2.88Å |
| 51 | G | 89.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 86.3 Ų | 86.3 | 29% | 0.289 | 43% | 0.426 | S | S | . | . | trans | -78.1 | -165.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V30 H55 | V30-G51 WeakPolarHBondContact CB-O 3.25Å; V30-G51 WeakPolarHBondContact CG1-O 3.23Å; G51-H55 PolarHBondContact O-CE1 3.49Å | ||
| 52 | E | 89.8 | Confident | 87.5 | Confident | 137 Ų | 137 | 79.3 Ų | 79.3 | 64% | 0.64 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -67.2 | 152.4 | 176 | 61.8 | -171.2 | -157.4 | 0 | 0 | 112.6 | G32 | G32-E52 WeakPolarHBondContact CA-OE2 3.27Š|
| 53 | G | 91.8 | Very high | 87.6 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.9 | 180 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V30 H55 | V30-G53 PolarHBondContact N-O 3.04Å; V30-G53 PolarHBondContact O-N 2.88Å; G53-H55 PolarHBondContact O-ND1 3.02Å |
| 54 | T | 89.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.5 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | L27 N29 | L27-T54 HydrophobicContact CB-CG2 4.45Å; L27-T54 HydrophobicContact CD2-CG2 3.9Å; N29-T54 WeakPolarHBondContact OD1-CB 3.43Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.46Å; N29-T54 PolarHBondContact OD1-OG1 3.09Å |
| 55 | H | 88.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.3 | -177.9 | -69.7 | 87.7 | 0 | 0 | 0 | 110.8 | Y28 G51 G53 | Y28-H55 HydrophobicContact CD1-CB 3.96Å; Y28-H55 WeakPolarHBondContact CD1-O 3.2Å; Y28-H55 HydrophobicContact CE1-CB 3.22Å; Y28-H55 HydrophobicContact CE2-CB 4.12Å; Y28-H55 PolarHBondContact N-O 3.21Å; Y28-H55 PolarHBondContact O-N 2.94Å; Y28-H55 WeakPolarHBondContact OH-CB 3.45Å; G51-H55 PolarHBondContact O-CE1 3.49Å; G53-H55 PolarHBondContact O-ND1 3.02Å |
| 56 | F | 88.6 | Confident | 88.1 | Confident | 145 Ų | 145 | 73.5 Ų | 73.5 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.8 | 177.7 | -60.8 | -96.3 | 0 | 0 | 0 | 110.5 | V26 L27 | V26-F56 HydrophobicContact CG1-CB 4.28Å; V26-F56 HydrophobicContact CG1-CD1 3.81Å; V26-F56 CarbonylContact O-C 3.56Å; V26-F56 WeakPolarHBondContact O-CA 3.42Å; L27-F56 HydrophobicContact CD2-CD1 3.54Å; L27-F56 HydrophobicContact CD2-CE1 3.34Å; L27-F56 HydrophobicContact CD2-CE2 4.42Å; L27-F56 HydrophobicContact CD2-CG 4.17Å; L27-F56 HydrophobicContact CD2-CZ 3.82Å; L27-F56 HydrophobicContact CG-CE1 4.49Å |
| 57 | I | 87.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | trans | -124.8 | 152.8 | 171.2 | 50.5 | 168 | 0 | 0 | 0 | 110.8 | V26 Y28 P59 Q62 P64 | V26-I57 WeakPolarHBondContact CA-O 3.39Å; V26-I57 WeakPolarHBondContact CG1-O 3.35Å; V26-I57 VanDerWaalsContact O-CG1 3.23Å; V26-I57 WeakPolarHBondContact O-CG1 3.39Å; V26-I57 PolarHBondContact O-N 3.09Å; Y28-I57 HydrophobicContact CD1-CB 4.14Å; Y28-I57 HydrophobicContact CD1-CD1 4.21Å; Y28-I57 HydrophobicContact CD1-CG1 3.84Å; Y28-I57 HydrophobicContact CD1-CG2 3.47Å; Y28-I57 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I57 HydrophobicContact CE1-CB 4.24Å; Y28-I57 HydrophobicContact CE1-CG1 4.45Å; Y28-I57 HydrophobicContact CE1-CG2 3.2Å; Y28-I57 HydrophobicContact CG-CG2 4.5Å; I57-P59 VanDerWaalsContact O-CD 3.27Å; I57-P59 WeakPolarHBondContact O-CD 3.44Å; I57-Q62 HydrophobicContact CB-CB 4.35Å; I57-Q62 HydrophobicContact CG2-CB 4.38Å; I57-P64 HydrophobicContact CD1-CG 4.21Å | ||
| 58 | I | 87.7 | Confident | 88.7 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | trans | -82.3 | 112.2 | 167.4 | -57.2 | 169.3 | 0 | 0 | 0 | 107.9 | W60 V61 Q62 | I58-W60 PolarHBondContact O-N 2.86Å; I58-V61 HydrophobicContact CB-CB 4.35Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.97Å; I58-V61 PolarHBondContact O-N 3.46Å; I58-Q62 HydrophobicContact CB-CG 4.14Å; I58-Q62 VanDerWaalsContact N-OE1 3.09Å; I58-Q62 PolarHBondContact O-N 3.34Å | ||
| 59 | P | 80.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 140.8 | 177.5 | 23 | -32.1 | 0 | 0 | 0 | 110 | L25 V26 I57 V61 | L25-P59 HydrophobicContact CB-CB 4.13Å; L25-P59 HydrophobicContact CB-CG 4.46Å; V26-P59 HydrophobicContact CG2-CG 4.06Å; I57-P59 VanDerWaalsContact O-CD 3.27Å; I57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-V61 PolarHBondContact O-N 3Å; P59-V61 VanDerWaalsContact O-N 3.11Å |
| 60 | W | 82.2 | Confident | 89.1 | Confident | 216 Ų | 216 | 68.6 Ų | 68.6 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -34.5 | 179.1 | -43.5 | -10.4 | 0 | 0 | 0 | 116.3 | R41 I58 | R41-W60 PolarHBondContact NE-O 3.02Å; R41-W60 PolarHBondContact NH2-O 3.19Å; I58-W60 PolarHBondContact O-N 2.86Å |
| 61 | V | 86.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -40.8 | 177.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | R41 F42 I58 P59 | R41-V61 WeakPolarHBondContact CB-O 3.32Å; R41-V61 PolarHBondContact N-O 3.18Å; F42-V61 HydrophobicContact CD2-CG1 3.77Å; F42-V61 HydrophobicContact CE2-CG1 4Å; F42-V61 HydrophobicContact CE2-CG2 4.12Å; I58-V61 HydrophobicContact CB-CB 4.35Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.97Å; I58-V61 PolarHBondContact O-N 3.46Å; P59-V61 PolarHBondContact O-N 3Å; P59-V61 VanDerWaalsContact O-N 3.11Å |
| 62 | Q | 89 | Confident | 89.5 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.3 | -174.3 | -53.5 | -167.8 | -55.2 | 0 | 0 | 110.5 | I38 F39 D40 I57 I58 | I38-Q62 HydrophobicContact CG2-CB 3.98Å; I38-Q62 HydrophobicContact CG2-CG 4.35Å; F39-Q62 CarbonylContact O-C 3.49Å; F39-Q62 WeakPolarHBondContact O-CA 3.44Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.5Å; D40-Q62 PolarHBondContact OD1-NE2 3.23Å; I57-Q62 HydrophobicContact CB-CB 4.35Å; I57-Q62 HydrophobicContact CG2-CB 4.38Å; I58-Q62 HydrophobicContact CB-CG 4.14Å; I58-Q62 VanDerWaalsContact N-OE1 3.09Å; I58-Q62 PolarHBondContact O-N 3.34Å |
| 63 | K | 88.5 | Confident | 89.8 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.4 | 171.9 | -173.1 | 178.4 | 177.4 | -177 | 0 | 109.3 | F39 | F39-K63 PolarHBondContact N-O 3.31Å; F39-K63 PolarHBondContact O-N 3.08Å |
| 64 | P | 89.7 | Confident | 89.8 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.2 | 172.7 | 30.6 | -32.6 | 0 | 0 | 0 | 110 | Y28 I57 | Y28-P64 HydrophobicContact CD2-CB 3.94Å; Y28-P64 HydrophobicContact CD2-CG 4.13Å; Y28-P64 HydrophobicContact CE2-CB 3.85Å; Y28-P64 HydrophobicContact CE2-CG 4.5Å; Y28-P64 HydrophobicContact CG-CB 4.44Å; Y28-P64 HydrophobicContact CG-CG 4.24Å; I57-P64 HydrophobicContact CD1-CG 4.21Å |
| 65 | I | 89.9 | Confident | 90.1 | Very high | 22 Ų | 22 | 73.5 Ų | 73.5 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.5 | 173 | -56.1 | 179 | 0 | 0 | 0 | 106.5 | A36 V37 F39 F67 Y107 | A36-I65 CarbonylContact C-O 3.58Å; A36-I65 WeakPolarHBondContact CA-O 3.34Å; V37-I65 PolarHBondContact N-O 2.86Å; V37-I65 PolarHBondContact O-N 3.18Å; F39-I65 HydrophobicContact CB-CD1 4.27Å; I65-F67 HydrophobicContact CB-CE2 4.27Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.57Å; I65-F67 HydrophobicContact CG2-CZ 3.99Å; I65-Y107 HydrophobicContact CD1-CD1 4.11Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.38Å; I65-Y107 HydrophobicContact CD1-CE2 3.7Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.41Å |
| 66 | I | 91.5 | Very high | 90.3 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.3 | -173.7 | -55.5 | 174.7 | 0 | 0 | 0 | 108.2 | H34 A36 | H34-I66 HydrophobicContact CB-CG2 3.65Å; A36-I66 HydrophobicContact CB-CG1 4.47Å |
| 67 | F | 91.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.7 | 172.9 | -72.4 | -89.5 | 0 | 0 | 0 | 109.6 | H34 R35 V37 I65 L103 Y107 F112 | H34-F67 CarbonylContact C-O 3.25Å; H34-F67 WeakPolarHBondContact CA-O 3.32Å; H34-F67 WeakPolarHBondContact CB-O 3.45Å; R35-F67 PolarHBondContact N-O 3.2Å; R35-F67 PolarHBondContact O-N 2.92Å; V37-F67 HydrophobicContact CB-CD2 4.4Å; V37-F67 HydrophobicContact CB-CE2 4.11Å; V37-F67 HydrophobicContact CG2-CD2 3.86Å; V37-F67 HydrophobicContact CG2-CE2 3.82Å; I65-F67 HydrophobicContact CB-CE2 4.27Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.57Å; I65-F67 HydrophobicContact CG2-CZ 3.99Å; F67-L103 HydrophobicContact CB-CD1 4.3Å; F67-L103 HydrophobicContact CB-CD2 4.01Å; F67-L103 HydrophobicContact CD1-CD2 4.2Å; F67-L103 HydrophobicContact CD2-CD2 4.36Å; F67-L103 HydrophobicContact CG-CD2 3.93Å; F67-Y107 HydrophobicContact CE2-CD2 4.38Å; F67-Y107 HydrophobicContact CE2-CG 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CG 4.12Å; F67-F112 HydrophobicContact CE1-CD2 4.33Å |
| 68 | D | 91.9 | Very high | 91 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.3 | 166.7 | -172.8 | -3.7 | 0 | 0 | 0 | 108.7 | R70 R72 P98 | D68-R70 WeakPolarHBondContact OD1-CB 3.34Å; D68-R70 WeakPolarHBondContact OD1-CD 3.48Å; D68-R70 WeakPolarHBondContact OD1-CG 3.44Å; D68-R70 PolarHBondContact OD1-N 2.88Å; D68-R72 VanDerWaalsContact CG-NH2 3.28Å; D68-R72 IonicContact OD2-CZ 3.3Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.36Å; D68-R72 IonicContact OD2-NH2 3Å; D68-R72 PolarHBondContact OD2-NH2 3.42Å; D68-P98 WeakPolarHBondContact O-CG 3.45Å |
| 69 | I | 92.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | trans | -106.2 | 11.3 | 178.1 | 59.4 | 155.5 | 0 | 0 | 0 | 112.3 | G33 R35 P98 P100 L103 | G33-I69 VanDerWaalsContact C-CG1 3.47Å; G33-I69 WeakPolarHBondContact O-CG1 3.37Å; G33-I69 PolarHBondContact O-N 3.49Å; R35-I69 HydrophobicContact CB-CG2 4.16Å; R35-I69 HydrophobicContact CG-CD1 4.03Å; R35-I69 HydrophobicContact CG-CG1 4.43Å; R35-I69 HydrophobicContact CG-CG2 4.03Å; I69-P98 HydrophobicContact CG2-CG 4.29Å; I69-P100 HydrophobicContact CD1-CG 4.28Å; I69-P100 HydrophobicContact CG2-CG 4.38Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å | ||
| 70 | R | 93.8 | Very high | 91.9 | Very high | 127 Ų | 127 | 70 Ų | 70 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.1 | 150.2 | 175.8 | -62.1 | 170.4 | -172.3 | -175.5 | 5.3 | 110.9 | D31 G32 D68 R72 | D31-R70 IonicContact OD2-NH2 3.84Å; G32-R70 PolarHBondContact O-NH2 3.28Å; D68-R70 WeakPolarHBondContact OD1-CB 3.34Å; D68-R70 WeakPolarHBondContact OD1-CD 3.48Å; D68-R70 WeakPolarHBondContact OD1-CG 3.44Å; D68-R70 PolarHBondContact OD1-N 2.88Å; R70-R72 PolarHBondContact O-N 3.44Å |
| 71 | S | 94.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | trans | -67.6 | 127.9 | 176.7 | -44.9 | 0 | 0 | 0 | 0 | 110.8 | F96 D166 | S71-F96 WeakPolarHBondContact CA-O 3.27Å; S71-D166 VanDerWaalsContact CB-OD2 3.26Å; S71-D166 WeakPolarHBondContact CB-OD2 3.3Å; S71-D166 PolarHBondContact OG-OD2 3.46Å | ||
| 72 | R | 94.1 | Very high | 92.8 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138 | -179.3 | -66.9 | 171.5 | 177 | -171.2 | -7.5 | 110.8 | D68 R70 F96 E115 | D68-R72 VanDerWaalsContact CG-NH2 3.28Å; D68-R72 IonicContact OD2-CZ 3.3Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.36Å; D68-R72 IonicContact OD2-NH2 3Å; D68-R72 PolarHBondContact OD2-NH2 3.42Å; R70-R72 PolarHBondContact O-N 3.44Å; R72-F96 HydrophobicContact CB-CE1 4.28Å; R72-F96 HydrophobicContact CB-CZ 4.32Å; R72-F96 PolarHBondContact N-O 3.35Å; R72-F96 VanDerWaalsContact O-CD1 3.28Å; R72-F96 WeakPolarHBondContact O-CD1 3.31Å; R72-F96 WeakPolarHBondContact O-CE1 3.19Å; R72-F96 PolarHBondContact O-N 3.01Å; R72-F96 VanDerWaalsContact O-N 3.13Å; R72-E115 IonicContact NH1-OE1 3.21Å; R72-E115 PolarHBondContact NH1-OE1 2.72Å |
| 73 | P | 94.8 | Very high | 93.1 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 59% | 0.591 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 137.6 | 174.2 | 30.9 | -32.3 | 0 | 0 | 0 | 111.3 | I94 L95 | P73-I94 CarbonylContact C-O 3.55Å; P73-I94 WeakPolarHBondContact CA-O 3.22Å; P73-L95 HydrophobicContact CB-CD2 3.73Å; P73-L95 HydrophobicContact CG-CD2 4.47Å |
| 74 | R | 92.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 59.6 Ų | 59.6 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.8 | 167.6 | 176 | 67.8 | 163.9 | 177.8 | -5 | 109.2 | V76 I94 F96 | R74-V76 HydrophobicContact CG-CG2 4.05Å; R74-I94 HydrophobicContact CB-CD1 4.15Å; R74-I94 HydrophobicContact CB-CG1 3.78Å; R74-I94 HydrophobicContact CG-CD1 4.28Å; R74-I94 HydrophobicContact CG-CG1 4.31Å; R74-I94 PolarHBondContact N-O 3.39Å; R74-I94 VanDerWaalsContact O-CG1 3.27Å; R74-I94 WeakPolarHBondContact O-CG1 3.49Å; R74-I94 PolarHBondContact O-N 3.37Å; R74-F96 HydrophobicContact CB-CD1 4.18Å; R74-F96 HydrophobicContact CB-CE1 3.7Å |
| 75 | N | 94.5 | Very high | 93.4 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.9 | 173.5 | -64.3 | -34.2 | 0 | 0 | 0 | 108.6 | T91 L92 R93 | N75-T91 HydrophobicContact CB-CG2 4.26Å; N75-L92 CarbonylContact C-O 3.56Å; N75-L92 WeakPolarHBondContact CA-O 3.31Å; N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.49Å |
| 76 | V | 94.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 108.1 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 108 | R74 V78 L92 I94 T123 | R74-V76 HydrophobicContact CG-CG2 4.05Å; V76-V78 HydrophobicContact CG1-CG2 3.95Å; V76-L92 PolarHBondContact N-O 2.97Å; V76-L92 PolarHBondContact O-N 2.89Å; V76-I94 HydrophobicContact CG2-CD1 4.45Å; V76-T123 HydrophobicContact CB-CG2 4Å; V76-T123 HydrophobicContact CG1-CG2 4.09Å; V76-T123 HydrophobicContact CG2-CG2 4.25Å |
| 77 | P | 94.8 | Very high | 93.7 | Very high | 101 Ų | 101 | 67.4 Ų | 67.4 | 66% | 0.656 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.7 | 172 | 31.3 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 78 | V | 95.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.2 | 179.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | V76 I90 T124 L127 K128 | V76-V78 HydrophobicContact CG1-CG2 3.95Å; V78-I90 PolarHBondContact N-O 3.31Å; V78-I90 PolarHBondContact O-N 2.88Å; V78-T124 HydrophobicContact CG1-CG2 4.06Å; V78-T124 HydrophobicContact CG2-CG2 4.46Å; V78-L127 HydrophobicContact CB-CD2 3.66Å; V78-L127 HydrophobicContact CG1-CD2 4.11Å; V78-L127 HydrophobicContact CG2-CD2 3.79Å; V78-K128 HydrophobicContact CG1-CG 4.24Å |
| 79 | M | 94.2 | Very high | 93.9 | Very high | 126 Ų | 126 | 68.9 Ų | 68.9 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.4 | 168.6 | -176.5 | 174.9 | 69.7 | 0 | 0 | 108.7 | T87 N89 | M79-T87 HydrophobicContact CG-CG2 3.93Å; M79-T87 HydrophobicContact SD-CG2 4.2Å; M79-N89 WeakPolarHBondContact CB-OD1 3.15Å; M79-N89 WeakPolarHBondContact CG-OD1 3.41Å |
| 80 | T | 93.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.4 | -178.2 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | V88 I90 K128 V131 | T80-V88 PolarHBondContact N-O 3.33Å; T80-V88 PolarHBondContact O-N 2.92Å; T80-V88 VanDerWaalsContact O-O 3.09Å; T80-I90 HydrophobicContact CG2-CD1 4.26Å; T80-K128 WeakPolarHBondContact OG1-CG 3.27Å; T80-V131 HydrophobicContact CG2-CB 3.83Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.23Å |
| 81 | G | 93.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q86 | G81-Q86 CarbonylContact C-O 3.56Å; G81-Q86 VanDerWaalsContact CA-O 3.27Å; G81-Q86 WeakPolarHBondContact CA-O 3.37Å |
| 82 | S | 94 | Very high | 94.1 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | trans | -80.9 | 174.7 | 162.6 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | D84 L85 Q86 F134 | S82-D84 VanDerWaalsContact CB-OD1 3.28Å; S82-D84 WeakPolarHBondContact CB-OD1 3.3Å; S82-D84 PolarHBondContact O-N 2.78Å; S82-D84 PolarHBondContact OG-OD1 2.82Å; S82-L85 WeakPolarHBondContact O-CA 3.36Å; S82-L85 PolarHBondContact O-N 3.36Å; S82-Q86 PolarHBondContact N-O 3.45Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3Å; S82-Q86 PolarHBondContact OG-O 3.46Å; S82-F134 WeakPolarHBondContact CB-O 3.49Å | ||
| 83 | K | 94.5 | Very high | 94.1 | Very high | 118 Ų | 118 | 59 Ų | 59 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.3 | -179.2 | 179 | 177.4 | 158.5 | -146.4 | 0 | 113.9 | L85 A132 Q133 F134 D135 | K83-L85 PolarHBondContact O-N 3.25Å; K83-A132 WeakPolarHBondContact CA-O 3.28Å; K83-A132 WeakPolarHBondContact CB-O 3.43Å; K83-Q133 WeakPolarHBondContact CD-O 3.27Å; K83-F134 VanDerWaalsContact CB-O 3.25Å; K83-F134 WeakPolarHBondContact CB-O 3.3Å; K83-F134 PolarHBondContact N-O 3.16Å; K83-D135 WeakPolarHBondContact CB-OD1 3.27Å; K83-D135 WeakPolarHBondContact CD-OD1 3.28Å; K83-D135 WeakPolarHBondContact CG-OD1 3.37Å; K83-D135 IonicContact NZ-OD1 2.67Å; K83-D135 IonicContact NZ-OD2 3.17Å; K83-D135 PolarHBondContact NZ-OD2 2.93Å |
| 84 | D | 94 | Very high | 94.1 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 32% | 0.316 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 13.7 | 174.8 | 63.7 | -16.8 | 0 | 0 | 0 | 113.6 | S82 Q86 A136 | S82-D84 VanDerWaalsContact CB-OD1 3.28Å; S82-D84 WeakPolarHBondContact CB-OD1 3.3Å; S82-D84 PolarHBondContact O-N 2.78Å; S82-D84 PolarHBondContact OG-OD1 2.82Å; D84-Q86 PolarHBondContact O-N 3.31Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.38Å; D84-A136 WeakPolarHBondContact OD2-CB 3.49Å |
| 85 | L | 91.9 | Very high | 94.2 | Very high | 157 Ų | 157 | 51.6 Ų | 51.6 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 63.7 | 20.6 | 179.3 | -52.3 | 174.1 | 0 | 0 | 0 | 114.3 | S82 K83 | S82-L85 WeakPolarHBondContact O-CA 3.36Å; S82-L85 PolarHBondContact O-N 3.36Å; K83-L85 PolarHBondContact O-N 3.25Å |
| 86 | Q | 92.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | trans | -78.6 | 139.1 | 170.9 | -62.5 | -62.4 | -32.1 | 0 | 0 | 110.8 | G81 S82 D84 V88 A136 F179 | G81-Q86 CarbonylContact C-O 3.56Å; G81-Q86 VanDerWaalsContact CA-O 3.27Å; G81-Q86 WeakPolarHBondContact CA-O 3.37Å; S82-Q86 PolarHBondContact N-O 3.45Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3Å; S82-Q86 PolarHBondContact OG-O 3.46Å; D84-Q86 PolarHBondContact O-N 3.31Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.38Å; Q86-V88 PolarHBondContact O-N 3Å; Q86-A136 HydrophobicContact CB-CB 4.2Å; Q86-A136 HydrophobicContact CG-CB 4.26Å; Q86-F179 HydrophobicContact CG-CD2 3.99Å; Q86-F179 HydrophobicContact CG-CE2 4.23Å | ||
| 87 | T | 93.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.4 | 174.5 | -60 | 0 | 0 | 0 | 0 | 109.6 | M79 G176 | M79-T87 HydrophobicContact CG-CG2 3.93Å; M79-T87 HydrophobicContact SD-CG2 4.2Å; T87-G176 PolarHBondContact O-N 3.48Å |
| 88 | V | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.7 | 179.9 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | T80 Q86 I90 L139 I173 F175 | T80-V88 PolarHBondContact N-O 3.33Å; T80-V88 PolarHBondContact O-N 2.92Å; T80-V88 VanDerWaalsContact O-O 3.09Å; Q86-V88 PolarHBondContact O-N 3Å; V88-I90 HydrophobicContact CB-CG1 4.39Å; V88-I90 HydrophobicContact CG1-CD1 3.95Å; V88-I90 HydrophobicContact CG1-CG1 3.62Å; V88-L139 HydrophobicContact CG1-CD1 4.18Å; V88-L139 HydrophobicContact CG2-CD1 3.98Å; V88-I173 HydrophobicContact CG1-CG2 3.59Å; V88-F175 HydrophobicContact CG1-CD1 4.12Å; V88-F175 HydrophobicContact CG1-CE1 3.9Å; V88-F175 HydrophobicContact CG1-CZ 4.43Å; V88-F175 HydrophobicContact CG2-CD1 3.87Å; V88-F175 HydrophobicContact CG2-CE1 3.87Å |
| 89 | N | 94.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.3 | 172.8 | -74.1 | -42.5 | 0 | 0 | 0 | 108.6 | M79 S174 | M79-N89 WeakPolarHBondContact CB-OD1 3.15Å; M79-N89 WeakPolarHBondContact CG-OD1 3.41Å; N89-S174 VanDerWaalsContact CB-OG 3.22Å; N89-S174 WeakPolarHBondContact CB-OG 3.32Å; N89-S174 PolarHBondContact N-O 3.47Å; N89-S174 PolarHBondContact O-N 3.33Å; N89-S174 PolarHBondContact O-OG 3.42Å; N89-S174 VanDerWaalsContact O-OG 3.09Å |
| 90 | I | 94.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.5 | -175.5 | -60.1 | 177.8 | 0 | 0 | 0 | 109 | V78 T80 V88 L127 V131 L170 Q172 I173 | V78-I90 PolarHBondContact N-O 3.31Å; V78-I90 PolarHBondContact O-N 2.88Å; T80-I90 HydrophobicContact CG2-CD1 4.26Å; V88-I90 HydrophobicContact CB-CG1 4.39Å; V88-I90 HydrophobicContact CG1-CD1 3.95Å; V88-I90 HydrophobicContact CG1-CG1 3.62Å; I90-L127 HydrophobicContact CB-CD2 4.21Å; I90-L127 HydrophobicContact CG2-CD1 4.44Å; I90-L127 HydrophobicContact CG2-CD2 3.92Å; I90-V131 HydrophobicContact CD1-CB 4.48Å; I90-V131 HydrophobicContact CD1-CG1 4.1Å; I90-V131 HydrophobicContact CD1-CG2 3.58Å; I90-L170 HydrophobicContact CG2-CD2 3.49Å; I90-L170 VanDerWaalsContact CG2-CD2 3.49Å; I90-Q172 CarbonylContact C-O 3.6Å; I90-Q172 WeakPolarHBondContact CA-O 3.42Å; I90-I173 HydrophobicContact CG1-CG1 4.43Å; I90-I173 HydrophobicContact CG1-CG2 4.33Å |
| 91 | T | 94.7 | Very high | 93.7 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.2 | 165.9 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | N75 T171 Q172 | N75-T91 HydrophobicContact CB-CG2 4.26Å; T91-T171 WeakPolarHBondContact CB-OG1 3.34Å; T91-T171 WeakPolarHBondContact CG2-OG1 3.46Å; T91-T171 PolarHBondContact O-N 2.98Å; T91-T171 PolarHBondContact O-OG1 3.39Å; T91-T171 VanDerWaalsContact O-OG1 3.08Å; T91-Q172 PolarHBondContact N-O 3.14Å |
| 92 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.5 | 173.8 | -165.8 | 75.1 | 0 | 0 | 0 | 109.7 | N75 V76 I94 T123 L127 V150 L154 I168 L170 | N75-L92 CarbonylContact C-O 3.56Å; N75-L92 WeakPolarHBondContact CA-O 3.31Å; V76-L92 PolarHBondContact N-O 2.97Å; V76-L92 PolarHBondContact O-N 2.89Å; L92-I94 HydrophobicContact CD2-CG2 3.6Å; L92-I94 HydrophobicContact CG-CG2 3.97Å; L92-T123 HydrophobicContact CB-CG2 4.42Å; L92-T123 HydrophobicContact CD2-CG2 3.4Å; L92-T123 VanDerWaalsContact CD2-CG2 3.4Å; L92-L127 HydrophobicContact CB-CD2 4.34Å; L92-V150 HydrophobicContact CD1-CG1 4.37Å; L92-V150 HydrophobicContact CD2-CG1 4.36Å; L92-L154 HydrophobicContact CD2-CD2 4.11Å; L92-I168 HydrophobicContact CD1-CG2 3.64Å; L92-I168 HydrophobicContact CD2-CG2 3.92Å; L92-I168 HydrophobicContact CG-CG2 3.99Å; L92-L170 HydrophobicContact CD1-CD2 3.46Å; L92-L170 VanDerWaalsContact CD1-CD2 3.46Å; L92-L170 HydrophobicContact CD1-CG 4.18Å |
| 93 | R | 94.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 28% | 0.275 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.2 | 167.9 | -178.5 | 177.1 | 69.4 | 79.2 | 10.7 | 108.4 | N75 D167 A169 T171 | N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.49Å; R93-D167 IonicContact CZ-OD2 3.97Å; R93-D167 IonicContact NH1-OD2 3.25Å; R93-D167 IonicContact NH2-OD2 3.86Å; R93-D167 PolarHBondContact NH2-OD2 2.68Å; R93-A169 PolarHBondContact N-O 3.36Å; R93-A169 PolarHBondContact O-N 3.01Å; R93-T171 HydrophobicContact CB-CG2 3.64Å |
| 94 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.7 | 175.6 | 58.7 | 173.4 | 0 | 0 | 0 | 109.4 | P73 R74 V76 L92 F96 L119 L154 I168 | P73-I94 CarbonylContact C-O 3.55Å; P73-I94 WeakPolarHBondContact CA-O 3.22Å; R74-I94 HydrophobicContact CB-CD1 4.15Å; R74-I94 HydrophobicContact CB-CG1 3.78Å; R74-I94 HydrophobicContact CG-CD1 4.28Å; R74-I94 HydrophobicContact CG-CG1 4.31Å; R74-I94 PolarHBondContact N-O 3.39Å; R74-I94 VanDerWaalsContact O-CG1 3.27Å; R74-I94 WeakPolarHBondContact O-CG1 3.49Å; R74-I94 PolarHBondContact O-N 3.37Å; V76-I94 HydrophobicContact CG2-CD1 4.45Å; L92-I94 HydrophobicContact CD2-CG2 3.6Å; L92-I94 HydrophobicContact CG-CG2 3.97Å; I94-F96 HydrophobicContact CD1-CD1 4.36Å; I94-F96 HydrophobicContact CG1-CD1 4.35Å; I94-L119 HydrophobicContact CD1-CB 4.28Å; I94-L119 HydrophobicContact CD1-CD1 4.29Å; I94-L119 HydrophobicContact CD1-CD2 4.2Å; I94-L154 HydrophobicContact CG2-CD2 4.11Å; I94-I168 HydrophobicContact CG2-CG1 4.21Å; I94-I168 HydrophobicContact CG2-CG2 4.32Å |
| 95 | L | 95.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.3 | 165.9 | -73.5 | 175.6 | 0 | 0 | 0 | 107.5 | P73 L165 D166 D167 | P73-L95 HydrophobicContact CB-CD2 3.73Å; P73-L95 HydrophobicContact CG-CD2 4.47Å; L95-L165 WeakPolarHBondContact O-CA 3.4Å; L95-D166 HydrophobicContact CB-CB 4.45Å; L95-D166 PolarHBondContact O-N 3.33Å; L95-D167 HydrophobicContact CB-CB 4.15Å; L95-D167 HydrophobicContact CD1-CB 3.9Å; L95-D167 HydrophobicContact CG-CB 4.39Å; L95-D167 PolarHBondContact N-O 2.86Å |
| 96 | F | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 157 | -174.4 | 74.1 | -82.8 | 0 | 0 | 0 | 111.4 | S71 R72 R74 I94 E115 L119 I163 L164 L165 | S71-F96 WeakPolarHBondContact CA-O 3.27Å; R72-F96 HydrophobicContact CB-CE1 4.28Å; R72-F96 HydrophobicContact CB-CZ 4.32Å; R72-F96 PolarHBondContact N-O 3.35Å; R72-F96 VanDerWaalsContact O-CD1 3.28Å; R72-F96 WeakPolarHBondContact O-CD1 3.31Å; R72-F96 WeakPolarHBondContact O-CE1 3.19Å; R72-F96 PolarHBondContact O-N 3.01Å; R72-F96 VanDerWaalsContact O-N 3.13Å; R74-F96 HydrophobicContact CB-CD1 4.18Å; R74-F96 HydrophobicContact CB-CE1 3.7Å; I94-F96 HydrophobicContact CD1-CD1 4.36Å; I94-F96 HydrophobicContact CG1-CD1 4.35Å; F96-E115 HydrophobicContact CE2-CB 4.34Å; F96-E115 HydrophobicContact CE2-CG 3.65Å; F96-E115 HydrophobicContact CZ-CB 4.24Å; F96-E115 HydrophobicContact CZ-CG 3.89Å; F96-E115 WeakPolarHBondContact CZ-OE2 3.43Å; F96-L119 HydrophobicContact CD1-CD1 3.77Å; F96-L119 HydrophobicContact CD2-CD1 3.67Å; F96-L119 HydrophobicContact CE1-CD1 3.71Å; F96-L119 HydrophobicContact CE2-CD1 3.61Å; F96-L119 HydrophobicContact CG-CD1 3.75Å; F96-L119 HydrophobicContact CZ-CD1 3.62Å; F96-I163 HydrophobicContact CB-CG2 4.14Å; F96-I163 HydrophobicContact CD2-CG2 4.27Å; F96-L164 CarbonylContact C-O 3.54Å; F96-L164 VanDerWaalsContact CA-O 3.3Å; F96-L164 WeakPolarHBondContact CA-O 3.14Å; F96-L165 HydrophobicContact CB-CD2 3.58Å |
| 97 | R | 94.2 | Very high | 92.9 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149 | 169.8 | 58.4 | -178 | 165.3 | 162.4 | -1.5 | 110 | L164 D166 | R97-L164 HydrophobicContact CG-CB 4.05Å; R97-L164 PolarHBondContact N-O 3.4Å; R97-L164 PolarHBondContact O-N 3.08Å; R97-L164 VanDerWaalsContact O-O 3.11Å; R97-D166 IonicContact CZ-OD1 3.66Å; R97-D166 IonicContact CZ-OD2 2.85Å; R97-D166 IonicContact NE-OD1 2.82Å; R97-D166 PolarHBondContact NE-OD1 2.95Å; R97-D166 IonicContact NE-OD2 2.85Å; R97-D166 PolarHBondContact NE-OD2 3.01Å; R97-D166 IonicContact NH2-OD1 3.63Å; R97-D166 PolarHBondContact NH2-OD1 2.92Å |
| 98 | P | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.9 | 175.3 | 29.5 | -33.4 | 0 | 0 | 0 | 110.7 | D68 I69 P100 L103 I106 Y114 | D68-P98 WeakPolarHBondContact O-CG 3.45Å; I69-P98 HydrophobicContact CG2-CG 4.29Å; P98-P100 WeakPolarHBondContact O-CD 3.39Å; P98-L103 HydrophobicContact CB-CD2 3.7Å; P98-L103 HydrophobicContact CG-CD2 4.03Å; P98-I106 HydrophobicContact CB-CD1 4.27Å; P98-Y114 HydrophobicContact CB-CE2 4.25Å; P98-Y114 WeakPolarHBondContact CD-OH 3.5Å |
| 99 | E | 92.6 | Very high | 92.4 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -70.9 | 123.3 | 175.1 | -173.2 | -162.2 | 178.4 | 0 | 0 | 109.8 | S101 T102 L103 G162 L164 | E99-S101 PolarHBondContact O-N 2.92Å; E99-S101 VanDerWaalsContact O-N 3.09Å; E99-S101 PolarHBondContact OE1-OG 3.31Å; E99-S101 PolarHBondContact OE2-OG 3.32Å; E99-T102 WeakPolarHBondContact CB-OG1 3.22Å; E99-T102 PolarHBondContact O-N 3.19Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.28Å; E99-T102 PolarHBondContact OE2-OG1 3.13Å; E99-L103 PolarHBondContact O-N 2.95Å; E99-G162 VanDerWaalsContact CB-O 3.26Å; E99-G162 WeakPolarHBondContact CB-O 3.46Å; E99-G162 PolarHBondContact N-O 2.98Å; E99-L164 HydrophobicContact CB-CD1 4.13Å; E99-L164 HydrophobicContact CB-CD2 4.4Å; E99-L164 HydrophobicContact CB-CG 3.95Å; E99-L164 HydrophobicContact CG-CD1 4.16Å; E99-L164 HydrophobicContact CG-CD2 4.49Å; E99-L164 HydrophobicContact CG-CG 4.35Å | ||
| 100 | P | 90.3 | Very high | 92 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 20% | 0.195 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.5 | -173.5 | -23.1 | 33.1 | 0 | 0 | 0 | 115.7 | R35 V49 I69 P98 | R35-P100 VanDerWaalsContact NH1-CB 3.27Å; V49-P100 WeakPolarHBondContact CG2-O 3.45Å; I69-P100 HydrophobicContact CD1-CG 4.28Å; I69-P100 HydrophobicContact CG2-CG 4.38Å; P98-P100 WeakPolarHBondContact O-CD 3.39Å |
| 101 | S | 89.7 | Confident | 91.7 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -29.7 | -178.5 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | E99 | E99-S101 PolarHBondContact O-N 2.92Å; E99-S101 VanDerWaalsContact O-N 3.09Å; E99-S101 PolarHBondContact OE1-OG 3.31Å; E99-S101 PolarHBondContact OE2-OG 3.32Å |
| 102 | T | 90.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 0.7 | -174.2 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | E99 P104 K105 I106 G162 | E99-T102 WeakPolarHBondContact CB-OG1 3.22Å; E99-T102 PolarHBondContact O-N 3.19Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.28Å; E99-T102 PolarHBondContact OE2-OG1 3.13Å; T102-P104 VanDerWaalsContact C-N 3.3Å; T102-P104 VanDerWaalsContact O-N 3.12Å; T102-K105 WeakPolarHBondContact O-CA 3.36Å; T102-K105 WeakPolarHBondContact O-CB 3.35Å; T102-K105 PolarHBondContact O-N 3.09Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-G162 WeakPolarHBondContact OG1-CA 3.18Å |
| 103 | L | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -43.2 | -43.1 | 174 | -78.2 | 174.6 | 0 | 0 | 0 | 115.1 | R35 V37 V49 F67 I69 P98 E99 K105 I106 Y107 | R35-L103 HydrophobicContact CB-CD1 3.72Å; V37-L103 HydrophobicContact CG2-CB 3.74Å; V49-L103 HydrophobicContact CG1-CD1 4.04Å; V49-L103 HydrophobicContact CG2-CB 4.34Å; F67-L103 HydrophobicContact CB-CD1 4.3Å; F67-L103 HydrophobicContact CB-CD2 4.01Å; F67-L103 HydrophobicContact CD1-CD2 4.2Å; F67-L103 HydrophobicContact CD2-CD2 4.36Å; F67-L103 HydrophobicContact CG-CD2 3.93Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å; P98-L103 HydrophobicContact CB-CD2 3.7Å; P98-L103 HydrophobicContact CG-CD2 4.03Å; E99-L103 PolarHBondContact O-N 2.95Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.37Å; L103-I106 PolarHBondContact O-N 3.49Å; L103-Y107 PolarHBondContact O-N 2.86Å |
| 104 | P | 91 | Very high | 90.5 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.9 | -25 | 36.7 | 0 | 0 | 0 | 112.9 | V37 V45 V49 T102 Q108 | V37-P104 HydrophobicContact CG1-CB 4.39Å; V37-P104 HydrophobicContact CG1-CG 4.45Å; V37-P104 HydrophobicContact CG2-CG 4.44Å; V45-P104 HydrophobicContact CG1-CB 3.93Å; V49-P104 VanDerWaalsContact CG2-CD 3.45Å; V49-P104 HydrophobicContact CG2-CG 3.5Å; V49-P104 VanDerWaalsContact CG2-CG 3.5Å; T102-P104 VanDerWaalsContact C-N 3.3Å; T102-P104 VanDerWaalsContact O-N 3.12Å; P104-Q108 WeakPolarHBondContact O-CB 3.37Å; P104-Q108 VanDerWaalsContact O-CG 3.23Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 3.44Å |
| 105 | K | 90.6 | Very high | 90.2 | Very high | 134 Ų | 134 | 52.5 Ų | 52.5 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.3 | -40.6 | 177.7 | -64 | 179.5 | 179.1 | 175.8 | 0 | 111.3 | T102 L103 Y107 Q108 N109 | T102-K105 WeakPolarHBondContact O-CA 3.36Å; T102-K105 WeakPolarHBondContact O-CB 3.35Å; T102-K105 PolarHBondContact O-N 3.09Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.37Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-Y107 PolarHBondContact O-N 3.44Å; K105-Q108 PolarHBondContact O-N 3.47Å; K105-N109 WeakPolarHBondContact O-CB 3.44Å; K105-N109 PolarHBondContact O-N 3.18Å |
| 106 | I | 91.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 174.6 | -65 | 172.1 | 0 | 0 | 0 | 109.3 | P98 T102 L103 Q108 N109 L110 G111 Y114 F161 G162 | P98-I106 HydrophobicContact CB-CD1 4.27Å; T102-I106 PolarHBondContact O-N 2.9Å; L103-I106 PolarHBondContact O-N 3.49Å; I106-Q108 PolarHBondContact O-N 2.88Å; I106-N109 PolarHBondContact O-N 3.35Å; I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.25Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.91Å; I106-G111 PolarHBondContact O-N 3.42Å; I106-Y114 HydrophobicContact CG2-CD1 3.99Å; I106-Y114 HydrophobicContact CG2-CD2 4.03Å; I106-Y114 HydrophobicContact CG2-CG 3.62Å; I106-F161 WeakPolarHBondContact CG1-O 3.46Å; I106-G162 VanDerWaalsContact CD1-O 3.3Å; I106-G162 WeakPolarHBondContact CD1-O 3.43Å |
| 107 | Y | 90 | Very high | 89.5 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 179.7 | -177.7 | -111.2 | 0 | 0 | 0 | 113 | V45 I65 F67 L103 K105 G111 | V45-Y107 HydrophobicContact CG1-CD1 4.44Å; V45-Y107 HydrophobicContact CG2-CD1 3.65Å; V45-Y107 HydrophobicContact CG2-CE1 3.84Å; I65-Y107 HydrophobicContact CD1-CD1 4.11Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.38Å; I65-Y107 HydrophobicContact CD1-CE2 3.7Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.41Å; F67-Y107 HydrophobicContact CE2-CD2 4.38Å; F67-Y107 HydrophobicContact CE2-CG 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CG 4.12Å; L103-Y107 PolarHBondContact O-N 2.86Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-Y107 PolarHBondContact O-N 3.44Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.4Å |
| 108 | Q | 88.8 | Confident | 89.3 | Confident | 114 Ų | 114 | 59.6 Ų | 59.6 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 177.4 | -74.8 | 174.4 | 23 | 0 | 0 | 113.1 | V45 P104 K105 I106 | V45-Q108 HydrophobicContact CB-CG 3.94Å; V45-Q108 HydrophobicContact CG1-CG 4.28Å; V45-Q108 HydrophobicContact CG2-CG 3.95Å; P104-Q108 WeakPolarHBondContact O-CB 3.37Å; P104-Q108 VanDerWaalsContact O-CG 3.23Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 3.44Å; K105-Q108 PolarHBondContact O-N 3.47Å; I106-Q108 PolarHBondContact O-N 2.88Å |
| 109 | N | 89.6 | Confident | 89.2 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -91.6 | -37.7 | -171.8 | -67.2 | -21.3 | 0 | 0 | 0 | 113.3 | K105 I106 | K105-N109 WeakPolarHBondContact O-CB 3.44Å; K105-N109 PolarHBondContact O-N 3.18Å; I106-N109 PolarHBondContact O-N 3.35Å |
| 110 | L | 86.8 | Confident | 89.2 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -25.3 | -169.6 | -58.4 | 171.9 | 0 | 0 | 0 | 112.2 | I106 R117 V118 F161 | I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.25Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.91Å; L110-R117 PolarHBondContact O-NH1 2.86Å; L110-V118 HydrophobicContact CD1-CG2 3.73Å; L110-V118 HydrophobicContact CD2-CG2 3.38Å; L110-V118 HydrophobicContact CG-CG2 4.13Å; L110-F161 HydrophobicContact CD1-CD1 4.47Å |
| 111 | G | 87 | Confident | 89.3 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | trans | 81.3 | -161.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I106 Y107 | I106-G111 PolarHBondContact O-N 3.42Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.4Å | ||
| 112 | F | 84.8 | Confident | 89.5 | Confident | 135 Ų | 135 | 57.6 Ų | 57.6 | 59% | 0.592 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -34.8 | 178.8 | -169.4 | -98.9 | 0 | 0 | 0 | 112 | F67 Y114 | F67-F112 HydrophobicContact CE1-CD2 4.33Å; F112-Y114 WeakPolarHBondContact O-CD1 3.42Å; F112-Y114 PolarHBondContact O-N 3Å; F112-Y114 VanDerWaalsContact O-N 3.12Å |
| 113 | D | 87.6 | Confident | 89.7 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 35.2 | -175.5 | -48.4 | -35.7 | 0 | 0 | 0 | 112.8 | E115 E116 R117 | D113-E115 PolarHBondContact O-N 3.16Å; D113-E116 PolarHBondContact O-N 3.38Å; D113-R117 PolarHBondContact O-N 2.79Å |
| 114 | Y | 86.8 | Confident | 89.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -34.5 | -178.9 | 75.3 | -82.7 | 0 | 0 | 0 | 111.8 | P98 I106 F112 V118 I163 | P98-Y114 HydrophobicContact CB-CE2 4.25Å; P98-Y114 WeakPolarHBondContact CD-OH 3.5Å; I106-Y114 HydrophobicContact CG2-CD1 3.99Å; I106-Y114 HydrophobicContact CG2-CD2 4.03Å; I106-Y114 HydrophobicContact CG2-CG 3.62Å; F112-Y114 WeakPolarHBondContact O-CD1 3.42Å; F112-Y114 PolarHBondContact O-N 3Å; F112-Y114 VanDerWaalsContact O-N 3.12Å; Y114-V118 PolarHBondContact O-N 2.94Å; Y114-V118 VanDerWaalsContact O-N 3.09Å; Y114-I163 HydrophobicContact CD2-CD1 4.02Å; Y114-I163 HydrophobicContact CD2-CG1 4.24Å; Y114-I163 HydrophobicContact CE2-CD1 4.32Å; Y114-I163 HydrophobicContact CE2-CG1 4.26Å |
| 115 | E | 87.3 | Confident | 90.1 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 178.5 | -55.4 | -176 | -176 | 0 | 0 | 111.6 | R72 F96 D113 L119 P120 | R72-E115 IonicContact NH1-OE1 3.21Å; R72-E115 PolarHBondContact NH1-OE1 2.72Å; F96-E115 HydrophobicContact CE2-CB 4.34Å; F96-E115 HydrophobicContact CE2-CG 3.65Å; F96-E115 HydrophobicContact CZ-CB 4.24Å; F96-E115 HydrophobicContact CZ-CG 3.89Å; F96-E115 WeakPolarHBondContact CZ-OE2 3.43Å; D113-E115 PolarHBondContact O-N 3.16Å; E115-L119 HydrophobicContact CB-CD1 4.19Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.24Å; E115-L119 PolarHBondContact O-N 2.88Å; E115-P120 WeakPolarHBondContact O-CD 3.33Å |
| 116 | E | 89 | Confident | 90.3 | Very high | 137 Ų | 137 | 57.4 Ų | 57.4 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -77.9 | -28.8 | -176.5 | -63.9 | -166.4 | 157.3 | 0 | 0 | 113 | D113 P120 | D113-E116 PolarHBondContact O-N 3.38Å; E116-P120 WeakPolarHBondContact O-CD 3.32Å; E116-P120 WeakPolarHBondContact O-CG 3.34Å |
| 117 | R | 87.5 | Confident | 90.5 | Very high | 147 Ų | 147 | 57.2 Ų | 57.2 | 56% | 0.555 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -82.9 | -43.2 | -175.6 | -172.9 | 168.1 | -67.9 | 141.1 | 4.6 | 113 | L110 D113 S121 | L110-R117 PolarHBondContact O-NH1 2.86Å; D113-R117 PolarHBondContact O-N 2.79Å; R117-S121 PolarHBondContact O-OG 2.91Å; R117-S121 VanDerWaalsContact O-OG 3.12Å |
| 118 | V | 90.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -97.1 | -48.7 | -170.6 | -178 | 0 | 0 | 0 | 0 | 111.8 | L110 Y114 S121 I122 F161 I163 | L110-V118 HydrophobicContact CD1-CG2 3.73Å; L110-V118 HydrophobicContact CD2-CG2 3.38Å; L110-V118 HydrophobicContact CG-CG2 4.13Å; Y114-V118 PolarHBondContact O-N 2.94Å; Y114-V118 VanDerWaalsContact O-N 3.09Å; V118-S121 WeakPolarHBondContact O-CB 3.35Å; V118-S121 PolarHBondContact O-N 2.94Å; V118-I122 HydrophobicContact CG1-CD1 4.19Å; V118-I122 HydrophobicContact CG1-CG1 4.5Å; V118-I122 HydrophobicContact CG1-CG2 3.9Å; V118-I122 WeakPolarHBondContact O-CG1 3.23Å; V118-I122 PolarHBondContact O-N 2.85Å; V118-F161 HydrophobicContact CG1-CB 4.18Å; V118-F161 HydrophobicContact CG1-CD1 3.9Å; V118-F161 HydrophobicContact CG1-CD2 3.76Å; V118-F161 HydrophobicContact CG1-CE1 4.2Å; V118-F161 HydrophobicContact CG1-CE2 4.08Å; V118-F161 HydrophobicContact CG1-CG 3.67Å; V118-F161 HydrophobicContact CG1-CZ 4.28Å; V118-F161 HydrophobicContact CG2-CD1 4.42Å; V118-I163 HydrophobicContact CG1-CD1 4.39Å |
| 119 | L | 90.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -51.2 | -170.7 | -67.1 | 172.3 | 0 | 0 | 0 | 113.2 | I94 F96 E115 S121 I122 T123 I163 | I94-L119 HydrophobicContact CD1-CB 4.28Å; I94-L119 HydrophobicContact CD1-CD1 4.29Å; I94-L119 HydrophobicContact CD1-CD2 4.2Å; F96-L119 HydrophobicContact CD1-CD1 3.77Å; F96-L119 HydrophobicContact CD2-CD1 3.67Å; F96-L119 HydrophobicContact CE1-CD1 3.71Å; F96-L119 HydrophobicContact CE2-CD1 3.61Å; F96-L119 HydrophobicContact CG-CD1 3.75Å; F96-L119 HydrophobicContact CZ-CD1 3.62Å; E115-L119 HydrophobicContact CB-CD1 4.19Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.24Å; E115-L119 PolarHBondContact O-N 2.88Å; L119-S121 PolarHBondContact O-N 2.86Å; L119-I122 HydrophobicContact CD2-CD1 4.32Å; L119-I122 WeakPolarHBondContact O-CG1 3.48Å; L119-I122 PolarHBondContact O-N 2.85Å; L119-T123 WeakPolarHBondContact O-CB 3.35Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 3.22Å; L119-I163 HydrophobicContact CD2-CD1 3.88Å; L119-I163 HydrophobicContact CD2-CG2 4.14Å; L119-I163 HydrophobicContact CG-CD1 4.25Å |
| 120 | P | 92.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -35.5 | -178.6 | -22.8 | 35.3 | 0 | 0 | 0 | 112.4 | E115 E116 T124 | E115-P120 WeakPolarHBondContact O-CD 3.33Å; E116-P120 WeakPolarHBondContact O-CD 3.32Å; E116-P120 WeakPolarHBondContact O-CG 3.34Å; P120-T124 WeakPolarHBondContact O-CB 3.45Å; P120-T124 PolarHBondContact O-N 3Å; P120-T124 PolarHBondContact O-OG1 2.81Å |
| 121 | S | 93 | Very high | 91.7 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 51% | 0.51 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -56.3 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | R117 V118 L119 T123 T124 E125 | R117-S121 PolarHBondContact O-OG 2.91Å; R117-S121 VanDerWaalsContact O-OG 3.12Å; V118-S121 WeakPolarHBondContact O-CB 3.35Å; V118-S121 PolarHBondContact O-N 2.94Å; L119-S121 PolarHBondContact O-N 2.86Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 3.29Å; S121-T124 PolarHBondContact O-N 3.37Å; S121-E125 WeakPolarHBondContact O-CB 3.18Å; S121-E125 PolarHBondContact O-N 2.81Å |
| 122 | I | 94.3 | Very high | 92 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | -178.6 | 66 | 173.9 | 0 | 0 | 0 | 111.6 | V118 L119 E125 V126 L154 A158 F161 | V118-I122 HydrophobicContact CG1-CD1 4.19Å; V118-I122 HydrophobicContact CG1-CG1 4.5Å; V118-I122 HydrophobicContact CG1-CG2 3.9Å; V118-I122 WeakPolarHBondContact O-CG1 3.23Å; V118-I122 PolarHBondContact O-N 2.85Å; L119-I122 HydrophobicContact CD2-CD1 4.32Å; L119-I122 WeakPolarHBondContact O-CG1 3.48Å; L119-I122 PolarHBondContact O-N 2.85Å; I122-E125 PolarHBondContact O-N 2.77Å; I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.3Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 2.82Å; I122-L154 HydrophobicContact CB-CD1 4.47Å; I122-L154 HydrophobicContact CD1-CD1 4.24Å; I122-L154 HydrophobicContact CG1-CD1 4.03Å; I122-A158 HydrophobicContact CD1-CB 4.04Å; I122-F161 HydrophobicContact CG2-CD2 4.27Å; I122-F161 HydrophobicContact CG2-CE2 3.73Å; I122-F161 HydrophobicContact CG2-CZ 4.42Å |
| 123 | T | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 178.8 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | V76 L92 L119 S121 L127 | V76-T123 HydrophobicContact CB-CG2 4Å; V76-T123 HydrophobicContact CG1-CG2 4.09Å; V76-T123 HydrophobicContact CG2-CG2 4.25Å; L92-T123 HydrophobicContact CB-CG2 4.42Å; L92-T123 HydrophobicContact CD2-CG2 3.4Å; L92-T123 VanDerWaalsContact CD2-CG2 3.4Å; L119-T123 WeakPolarHBondContact O-CB 3.35Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 3.22Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 3.29Å; T123-L127 WeakPolarHBondContact O-CB 3.1Å; T123-L127 PolarHBondContact O-N 3.43Å |
| 124 | T | 94.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.233 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | V78 P120 S121 K128 | V78-T124 HydrophobicContact CG1-CG2 4.06Å; V78-T124 HydrophobicContact CG2-CG2 4.46Å; P120-T124 WeakPolarHBondContact O-CB 3.45Å; P120-T124 PolarHBondContact O-N 3Å; P120-T124 PolarHBondContact O-OG1 2.81Å; S121-T124 PolarHBondContact O-N 3.37Å; T124-K128 HydrophobicContact CG2-CD 3.98Å; T124-K128 WeakPolarHBondContact O-CB 3.35Å; T124-K128 WeakPolarHBondContact O-CG 3.18Å; T124-K128 PolarHBondContact O-N 3.1Å; T124-K128 VanDerWaalsContact O-N 3.08Å |
| 125 | E | 95 | Very high | 93.2 | Very high | 111 Ų | 111 | 46.8 Ų | 46.8 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -55.1 | 178.1 | -175.3 | -171.8 | 157.5 | 0 | 0 | 111.6 | S121 I122 L127 K128 A129 | S121-E125 WeakPolarHBondContact O-CB 3.18Å; S121-E125 PolarHBondContact O-N 2.81Å; I122-E125 PolarHBondContact O-N 2.77Å; E125-L127 PolarHBondContact O-N 3.24Å; E125-K128 PolarHBondContact O-N 3.39Å; E125-A129 WeakPolarHBondContact O-CB 3.12Å; E125-A129 PolarHBondContact O-N 3.31Å |
| 126 | V | 95.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | -178 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I122 K128 A129 V130 D153 L154 R157 | I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.3Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 2.82Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.29Å; V126-A129 PolarHBondContact O-N 3.01Å; V126-V130 HydrophobicContact CG1-CG2 4.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.45Å; V126-D153 HydrophobicContact CG1-CB 3.6Å; V126-L154 HydrophobicContact CB-CD1 4.15Å; V126-L154 HydrophobicContact CG1-CB 4.11Å; V126-L154 HydrophobicContact CG2-CD1 4.06Å; V126-R157 HydrophobicContact CG2-CB 4.41Å; V126-R157 HydrophobicContact CG2-CG 3.97Å |
| 127 | L | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | -179.7 | -173.7 | 61.2 | 0 | 0 | 0 | 111.6 | V78 I90 L92 T123 E125 V131 V150 L170 | V78-L127 HydrophobicContact CB-CD2 3.66Å; V78-L127 HydrophobicContact CG1-CD2 4.11Å; V78-L127 HydrophobicContact CG2-CD2 3.79Å; I90-L127 HydrophobicContact CB-CD2 4.21Å; I90-L127 HydrophobicContact CG2-CD1 4.44Å; I90-L127 HydrophobicContact CG2-CD2 3.92Å; L92-L127 HydrophobicContact CB-CD2 4.34Å; T123-L127 WeakPolarHBondContact O-CB 3.1Å; T123-L127 PolarHBondContact O-N 3.43Å; E125-L127 PolarHBondContact O-N 3.24Å; L127-V131 HydrophobicContact CD1-CG2 3.72Å; L127-V131 HydrophobicContact CG-CG2 4.14Å; L127-V131 VanDerWaalsContact O-CB 3.24Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.93Å; L127-V150 HydrophobicContact CD1-CG2 3.96Å; L127-L170 HydrophobicContact CD1-CD2 3.95Å |
| 128 | K | 94.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 36.9 Ų | 36.9 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.9 | -76 | 176.9 | 176.7 | -178.3 | 0 | 111.8 | V78 T80 T124 E125 V126 A132 | V78-K128 HydrophobicContact CG1-CG 4.24Å; T80-K128 WeakPolarHBondContact OG1-CG 3.27Å; T124-K128 HydrophobicContact CG2-CD 3.98Å; T124-K128 WeakPolarHBondContact O-CB 3.35Å; T124-K128 WeakPolarHBondContact O-CG 3.18Å; T124-K128 PolarHBondContact O-N 3.1Å; T124-K128 VanDerWaalsContact O-N 3.08Å; E125-K128 PolarHBondContact O-N 3.39Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.29Å; K128-A132 VanDerWaalsContact O-CB 3.23Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.02Å; K128-A132 VanDerWaalsContact O-N 3.1Å |
| 129 | A | 95.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -38.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E125 V126 Q133 | E125-A129 WeakPolarHBondContact O-CB 3.12Å; E125-A129 PolarHBondContact O-N 3.31Å; V126-A129 PolarHBondContact O-N 3.01Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-NE2 3.33Å |
| 130 | V | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.5 | -47 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | V126 A132 Q133 F134 V146 R149 V150 D153 | V126-V130 HydrophobicContact CG1-CG2 4.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.45Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.4Å; V130-Q133 WeakPolarHBondContact O-CB 3.34Å; V130-Q133 PolarHBondContact O-N 2.93Å; V130-F134 HydrophobicContact CG1-CD2 4.27Å; V130-F134 HydrophobicContact CG1-CE2 3.86Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-V146 HydrophobicContact CG1-CG1 4.38Å; V130-R149 HydrophobicContact CG1-CB 3.98Å; V130-V150 HydrophobicContact CB-CG2 3.88Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.14Å; V130-D153 WeakPolarHBondContact CG2-OD2 3.46Å |
| 131 | V | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -31.9 | -177.1 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | T80 I90 L127 Q133 F134 L139 | T80-V131 HydrophobicContact CG2-CB 3.83Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.23Å; I90-V131 HydrophobicContact CD1-CB 4.48Å; I90-V131 HydrophobicContact CD1-CG1 4.1Å; I90-V131 HydrophobicContact CD1-CG2 3.58Å; L127-V131 HydrophobicContact CD1-CG2 3.72Å; L127-V131 HydrophobicContact CG-CG2 4.14Å; L127-V131 VanDerWaalsContact O-CB 3.24Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.93Å; V131-Q133 PolarHBondContact O-N 2.9Å; V131-Q133 VanDerWaalsContact O-N 3.12Å; V131-F134 PolarHBondContact O-N 3.34Å; V131-F134 VanDerWaalsContact O-N 3.16Å; V131-L139 HydrophobicContact CG1-CD1 3.85Å; V131-L139 HydrophobicContact CG1-CD2 4.39Å |
| 132 | A | 94.5 | Very high | 93.6 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K83 K128 V130 | K83-A132 WeakPolarHBondContact CA-O 3.28Å; K83-A132 WeakPolarHBondContact CB-O 3.43Å; K128-A132 VanDerWaalsContact O-CB 3.23Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.02Å; K128-A132 VanDerWaalsContact O-N 3.1Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.4Å |
| 133 | Q | 95 | Very high | 93.5 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.3 | 178 | -60 | 171.1 | 35.6 | 0 | 0 | 113.4 | K83 A129 V130 V131 | K83-Q133 WeakPolarHBondContact CD-O 3.27Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-NE2 3.33Å; V130-Q133 WeakPolarHBondContact O-CB 3.34Å; V130-Q133 PolarHBondContact O-N 2.93Å; V131-Q133 PolarHBondContact O-N 2.9Å; V131-Q133 VanDerWaalsContact O-N 3.12Å |
| 134 | F | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -113 | 147.3 | -175.6 | -69.7 | -85.4 | 0 | 0 | 0 | 111.6 | S82 K83 V130 V131 E138 L139 L145 V146 | S82-F134 WeakPolarHBondContact CB-O 3.49Å; K83-F134 VanDerWaalsContact CB-O 3.25Å; K83-F134 WeakPolarHBondContact CB-O 3.3Å; K83-F134 PolarHBondContact N-O 3.16Å; V130-F134 HydrophobicContact CG1-CD2 4.27Å; V130-F134 HydrophobicContact CG1-CE2 3.86Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V131-F134 PolarHBondContact O-N 3.34Å; V131-F134 VanDerWaalsContact O-N 3.16Å; F134-E138 WeakPolarHBondContact CA-OE2 3.43Å; F134-E138 HydrophobicContact CB-CB 4.48Å; F134-E138 HydrophobicContact CD1-CB 4.26Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.48Å; F134-L139 HydrophobicContact CB-CD2 3.99Å; F134-L139 HydrophobicContact CB-CG 4.42Å; F134-L145 HydrophobicContact CE1-CD2 4.2Å; F134-L145 HydrophobicContact CZ-CG 4.46Å; F134-V146 HydrophobicContact CD1-CG2 4.04Å; F134-V146 HydrophobicContact CD2-CG1 4.38Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4.01Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.37Å; F134-V146 HydrophobicContact CE2-CG2 3.93Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.91Å |
| 135 | D | 94.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | trans | -80 | 154.7 | 175 | -64.3 | -45.8 | 0 | 0 | 0 | 110.8 | K83 S137 E138 L139 | K83-D135 WeakPolarHBondContact CB-OD1 3.27Å; K83-D135 WeakPolarHBondContact CD-OD1 3.28Å; K83-D135 WeakPolarHBondContact CG-OD1 3.37Å; K83-D135 IonicContact NZ-OD1 2.67Å; K83-D135 IonicContact NZ-OD2 3.17Å; K83-D135 PolarHBondContact NZ-OD2 2.93Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 3.49Å; D135-E138 WeakPolarHBondContact O-CB 3.17Å; D135-E138 PolarHBondContact O-N 3.17Å; D135-L139 PolarHBondContact O-N 2.95Å; D135-L139 VanDerWaalsContact O-N 3.13Å | ||
| 136 | A | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -35.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | D84 Q86 E138 L139 F175 F179 | D84-A136 WeakPolarHBondContact OD2-CB 3.49Å; Q86-A136 HydrophobicContact CB-CB 4.2Å; Q86-A136 HydrophobicContact CG-CB 4.26Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.45Å; A136-L139 PolarHBondContact O-N 3.41Å; A136-F175 HydrophobicContact CB-CD1 4.09Å; A136-F175 HydrophobicContact CB-CE1 3.78Å; A136-F179 HydrophobicContact CB-CE1 3.89Å; A136-F179 HydrophobicContact CB-CE2 4.14Å; A136-F179 HydrophobicContact CB-CZ 3.55Å |
| 137 | S | 90.1 | Very high | 93 | Very high | 69 Ų | 69 | 51 Ų | 51 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -31.6 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | D135 I140 T141 | D135-S137 PolarHBondContact O-N 2.94Å; S137-I140 PolarHBondContact O-N 3.09Å; S137-T141 PolarHBondContact O-N 3.02Å; S137-T141 PolarHBondContact O-OG1 3.31Å |
| 138 | E | 92.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.5 | -34.6 | 176.9 | -63.7 | 177.8 | 151.3 | 0 | 0 | 110.9 | F134 D135 A136 I140 T141 Q142 | F134-E138 WeakPolarHBondContact CA-OE2 3.43Å; F134-E138 HydrophobicContact CB-CB 4.48Å; F134-E138 HydrophobicContact CD1-CB 4.26Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.48Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 3.49Å; D135-E138 WeakPolarHBondContact O-CB 3.17Å; D135-E138 PolarHBondContact O-N 3.17Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.45Å; E138-I140 PolarHBondContact O-N 2.92Å; E138-T141 PolarHBondContact O-N 2.94Å; E138-Q142 CarbonylContact O-C 3.54Å; E138-Q142 WeakPolarHBondContact O-CA 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 2.96Å |
| 139 | L | 92.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -27.6 | 174.5 | -62.9 | 176.4 | 0 | 0 | 0 | 112.8 | V88 V131 F134 D135 A136 V146 F175 | V88-L139 HydrophobicContact CG1-CD1 4.18Å; V88-L139 HydrophobicContact CG2-CD1 3.98Å; V131-L139 HydrophobicContact CG1-CD1 3.85Å; V131-L139 HydrophobicContact CG1-CD2 4.39Å; F134-L139 HydrophobicContact CB-CD2 3.99Å; F134-L139 HydrophobicContact CB-CG 4.42Å; D135-L139 PolarHBondContact O-N 2.95Å; D135-L139 VanDerWaalsContact O-N 3.13Å; A136-L139 PolarHBondContact O-N 3.41Å; L139-V146 HydrophobicContact CD2-CB 4.45Å; L139-V146 HydrophobicContact CD2-CG1 3.93Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; L139-F175 HydrophobicContact CB-CE1 4.45Å; L139-F175 HydrophobicContact CB-CZ 4.11Å; L139-F175 HydrophobicContact CD1-CE1 4.29Å |
| 140 | I | 89.1 | Confident | 92.9 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -79.8 | -49.8 | 175.8 | -60.6 | 172.4 | 0 | 0 | 0 | 110.6 | S137 E138 F175 | S137-I140 PolarHBondContact O-N 3.09Å; E138-I140 PolarHBondContact O-N 2.92Å; I140-F175 HydrophobicContact CD1-CD2 4.4Å; I140-F175 HydrophobicContact CD1-CE2 3.75Å; I140-F175 HydrophobicContact CD1-CZ 4.02Å; I140-F175 HydrophobicContact CG1-CE2 3.49Å; I140-F175 VanDerWaalsContact CG1-CE2 3.49Å; I140-F175 HydrophobicContact CG1-CZ 3.55Å |
| 141 | T | 90.7 | Very high | 92.9 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -84.6 | -36 | -170.4 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | S137 E138 | S137-T141 PolarHBondContact O-N 3.02Å; S137-T141 PolarHBondContact O-OG1 3.31Å; E138-T141 PolarHBondContact O-N 2.94Å |
| 142 | Q | 92.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 62 Ų | 62 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | trans | -115.8 | 35.5 | -173.6 | -58.9 | -176.4 | 1.8 | 0 | 0 | 112.4 | E138 E144 L145 V146 | E138-Q142 CarbonylContact O-C 3.54Å; E138-Q142 WeakPolarHBondContact O-CA 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 2.96Å; Q142-E144 PolarHBondContact O-N 3.09Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; Q142-L145 HydrophobicContact CB-CB 4.32Å; Q142-L145 WeakPolarHBondContact O-CB 3.47Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-L145 VanDerWaalsContact O-N 3.07Å; Q142-V146 PolarHBondContact O-N 3.15Å | ||
| 143 | R | 90.4 | Very high | 92.9 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.9 | -35.2 | -179.5 | -177.9 | 177.9 | 175.3 | 166.7 | -4.7 | 114.2 | V146 S147 L170 T171 I173 | R143-V146 PolarHBondContact O-N 2.93Å; R143-S147 WeakPolarHBondContact O-CB 3.4Å; R143-S147 PolarHBondContact O-N 2.8Å; R143-S147 PolarHBondContact O-OG 3.28Å; R143-L170 HydrophobicContact CG-CD1 4.19Å; R143-L170 VanDerWaalsContact NH2-C 3.25Å; R143-L170 PolarHBondContact NH2-O 2.95Å; R143-T171 VanDerWaalsContact NH2-CA 3.35Å; R143-T171 PolarHBondContact NH2-O 2.95Å; R143-I173 HydrophobicContact CG-CD1 4.09Å |
| 144 | E | 92.1 | Very high | 92.9 | Very high | 124 Ų | 124 | 57.6 Ų | 57.6 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 179.4 | -176.2 | 54.3 | -144.6 | 0 | 0 | 111.4 | Q142 V146 S147 Q148 | Q142-E144 PolarHBondContact O-N 3.09Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 3.47Å; E144-S147 PolarHBondContact O-N 2.94Å; E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å |
| 145 | L | 92.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.5 | -178.5 | 64.7 | 0 | 0 | 0 | 111.7 | F134 Q142 Q148 R149 | F134-L145 HydrophobicContact CE1-CD2 4.2Å; F134-L145 HydrophobicContact CZ-CG 4.46Å; Q142-L145 HydrophobicContact CB-CB 4.32Å; Q142-L145 WeakPolarHBondContact O-CB 3.47Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-L145 VanDerWaalsContact O-N 3.07Å; L145-Q148 PolarHBondContact O-N 2.78Å; L145-R149 PolarHBondContact O-N 3.18Å; L145-R149 VanDerWaalsContact O-N 3.08Å |
| 146 | V | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | V130 F134 L139 Q142 R143 E144 Q148 R149 V150 L170 | V130-V146 HydrophobicContact CG1-CG1 4.38Å; F134-V146 HydrophobicContact CD1-CG2 4.04Å; F134-V146 HydrophobicContact CD2-CG1 4.38Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4.01Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.37Å; F134-V146 HydrophobicContact CE2-CG2 3.93Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.91Å; L139-V146 HydrophobicContact CD2-CB 4.45Å; L139-V146 HydrophobicContact CD2-CG1 3.93Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; Q142-V146 PolarHBondContact O-N 3.15Å; R143-V146 PolarHBondContact O-N 2.93Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 3.47Å; V146-Q148 VanDerWaalsContact C-N 3.31Å; V146-Q148 PolarHBondContact O-N 3.4Å; V146-R149 PolarHBondContact O-N 2.5Å; V146-V150 HydrophobicContact CG1-CG2 4.45Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.19Å; V146-L170 HydrophobicContact CB-CD1 4.3Å; V146-L170 HydrophobicContact CG1-CD1 4.03Å |
| 147 | S | 92.6 | Very high | 93 | Very high | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 177.9 | -57 | 0 | 0 | 0 | 0 | 111.7 | R143 E144 V150 N151 L170 | R143-S147 WeakPolarHBondContact O-CB 3.4Å; R143-S147 PolarHBondContact O-N 2.8Å; R143-S147 PolarHBondContact O-OG 3.28Å; E144-S147 PolarHBondContact O-N 2.94Å; S147-V150 PolarHBondContact O-N 2.93Å; S147-N151 WeakPolarHBondContact O-CB 3.35Å; S147-N151 PolarHBondContact O-N 2.86Å; S147-L170 WeakPolarHBondContact OG-CD1 3.49Å |
| 148 | Q | 93.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.2 | -71.4 | 172.3 | 10.8 | 0 | 0 | 112.2 | E144 L145 V146 V150 N151 E152 | E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å; L145-Q148 PolarHBondContact O-N 2.78Å; V146-Q148 VanDerWaalsContact C-N 3.31Å; V146-Q148 PolarHBondContact O-N 3.4Å; Q148-V150 PolarHBondContact O-N 2.87Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.39Å; Q148-N151 VanDerWaalsContact O-N 3.08Å; Q148-E152 PolarHBondContact O-N 3.5Å |
| 149 | R | 93.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 67.9 Ų | 67.9 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.7 | -70.5 | -162.6 | -169.1 | 156.4 | 6.7 | 112.5 | V130 L145 V146 N151 E152 D153 | V130-R149 HydrophobicContact CG1-CB 3.98Å; L145-R149 PolarHBondContact O-N 3.18Å; L145-R149 VanDerWaalsContact O-N 3.08Å; V146-R149 PolarHBondContact O-N 2.5Å; R149-N151 PolarHBondContact O-N 3.34Å; R149-E152 PolarHBondContact O-N 3.43Å; R149-D153 PolarHBondContact O-N 3.24Å; R149-D153 VanDerWaalsContact O-N 3.13Å |
| 150 | V | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | L92 L127 V130 V146 S147 Q148 L154 I168 | L92-V150 HydrophobicContact CD1-CG1 4.37Å; L92-V150 HydrophobicContact CD2-CG1 4.36Å; L127-V150 HydrophobicContact CD1-CG2 3.96Å; V130-V150 HydrophobicContact CB-CG2 3.88Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.14Å; V146-V150 HydrophobicContact CG1-CG2 4.45Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.19Å; S147-V150 PolarHBondContact O-N 2.93Å; Q148-V150 PolarHBondContact O-N 2.87Å; V150-L154 WeakPolarHBondContact O-CB 3.43Å; V150-L154 PolarHBondContact O-N 2.84Å; V150-I168 HydrophobicContact CG1-CG2 4.15Å |
| 151 | N | 94.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 178.5 | -172.6 | -17.9 | 0 | 0 | 0 | 112 | S147 Q148 R149 T155 I168 | S147-N151 WeakPolarHBondContact O-CB 3.35Å; S147-N151 PolarHBondContact O-N 2.86Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.39Å; Q148-N151 VanDerWaalsContact O-N 3.08Å; R149-N151 PolarHBondContact O-N 3.34Å; N151-T155 WeakPolarHBondContact O-CB 3.36Å; N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 2.96Å; N151-T155 PolarHBondContact OD1-OG1 3.04Å; N151-I168 HydrophobicContact CB-CD1 4.07Å |
| 152 | E | 94.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.1 | -52.6 | 179 | -68.8 | 172.9 | -179 | 0 | 0 | 111.7 | Q148 R149 T155 Q156 | Q148-E152 PolarHBondContact O-N 3.5Å; R149-E152 PolarHBondContact O-N 3.43Å; E152-T155 PolarHBondContact O-N 2.71Å; E152-Q156 WeakPolarHBondContact O-CB 3.45Å; E152-Q156 PolarHBondContact O-N 3.28Å |
| 153 | D | 95 | Very high | 93.4 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | -177.9 | -75.4 | -8.5 | 0 | 0 | 0 | 112 | V126 V130 R149 Q156 R157 | V126-D153 HydrophobicContact CG1-CB 3.6Å; V130-D153 WeakPolarHBondContact CG2-OD2 3.46Å; R149-D153 PolarHBondContact O-N 3.24Å; R149-D153 VanDerWaalsContact O-N 3.13Å; D153-Q156 PolarHBondContact O-N 3.28Å; D153-R157 VanDerWaalsContact O-CG 3.3Å; D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 2.75Å |
| 154 | L | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -37.2 | -178.1 | -169.8 | 62.3 | 0 | 0 | 0 | 111.2 | L92 I94 I122 V126 V150 R157 A158 L165 I168 | L92-L154 HydrophobicContact CD2-CD2 4.11Å; I94-L154 HydrophobicContact CG2-CD2 4.11Å; I122-L154 HydrophobicContact CB-CD1 4.47Å; I122-L154 HydrophobicContact CD1-CD1 4.24Å; I122-L154 HydrophobicContact CG1-CD1 4.03Å; V126-L154 HydrophobicContact CB-CD1 4.15Å; V126-L154 HydrophobicContact CG1-CB 4.11Å; V126-L154 HydrophobicContact CG2-CD1 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.43Å; V150-L154 PolarHBondContact O-N 2.84Å; L154-R157 PolarHBondContact O-N 2.79Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.9Å; L154-L165 HydrophobicContact CB-CD1 4.14Å; L154-L165 HydrophobicContact CD2-CD1 3.88Å; L154-L165 HydrophobicContact CG-CD1 3.55Å; L154-I168 HydrophobicContact CB-CD1 4.11Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.28Å; L154-I168 HydrophobicContact CG-CD1 4.34Å |
| 155 | T | 94.6 | Very high | 93.7 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.6 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | N151 E152 R157 A158 S159 | N151-T155 WeakPolarHBondContact O-CB 3.36Å; N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 2.96Å; N151-T155 PolarHBondContact OD1-OG1 3.04Å; E152-T155 PolarHBondContact O-N 2.71Å; T155-R157 PolarHBondContact O-N 2.84Å; T155-A158 PolarHBondContact O-N 2.83Å; T155-S159 VanDerWaalsContact O-CB 3.26Å; T155-S159 WeakPolarHBondContact O-CB 3.29Å; T155-S159 PolarHBondContact O-N 3.13Å |
| 156 | Q | 94.5 | Very high | 93.7 | Very high | 138 Ų | 138 | 56.8 Ų | 56.8 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.4 | -172.8 | -178.1 | 8.1 | 0 | 0 | 111.7 | E152 D153 S160 | E152-Q156 WeakPolarHBondContact O-CB 3.45Å; E152-Q156 PolarHBondContact O-N 3.28Å; D153-Q156 PolarHBondContact O-N 3.28Å; Q156-S160 PolarHBondContact O-OG 3.16Å |
| 157 | R | 94.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 59.5 Ų | 59.5 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 178.6 | -68 | -65 | -175.1 | 150.8 | 5.1 | 112.5 | V126 D153 L154 T155 S159 S160 F161 | V126-R157 HydrophobicContact CG2-CB 4.41Å; V126-R157 HydrophobicContact CG2-CG 3.97Å; D153-R157 VanDerWaalsContact O-CG 3.3Å; D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 2.75Å; L154-R157 PolarHBondContact O-N 2.79Å; T155-R157 PolarHBondContact O-N 2.84Å; R157-S159 PolarHBondContact O-N 3Å; R157-S160 WeakPolarHBondContact O-CB 3.5Å; R157-S160 PolarHBondContact O-N 3.49Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.39Å |
| 158 | A | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I122 L154 T155 S160 F161 G162 I163 L165 | I122-A158 HydrophobicContact CD1-CB 4.04Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.9Å; T155-A158 PolarHBondContact O-N 2.83Å; A158-S160 PolarHBondContact O-N 3.08Å; A158-F161 PolarHBondContact O-N 2.63Å; A158-G162 PolarHBondContact O-N 3.12Å; A158-I163 CarbonylContact C-O 3.6Å; A158-I163 VanDerWaalsContact C-O 3.25Å; A158-I163 HydrophobicContact CB-CB 4.28Å; A158-I163 PolarHBondContact O-N 3Å; A158-L165 HydrophobicContact CB-CD1 3.68Å; A158-L165 HydrophobicContact CB-CD2 4.29Å; A158-L165 HydrophobicContact CB-CG 3.87Å |
| 159 | S | 92.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -35.4 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | T155 R157 F161 G162 I163 | T155-S159 VanDerWaalsContact O-CB 3.26Å; T155-S159 WeakPolarHBondContact O-CB 3.29Å; T155-S159 PolarHBondContact O-N 3.13Å; R157-S159 PolarHBondContact O-N 3Å; S159-F161 PolarHBondContact O-N 3.17Å; S159-G162 PolarHBondContact O-N 3.1Å; S159-I163 PolarHBondContact N-O 3.3Å |
| 160 | S | 92 | Very high | 93.4 | Very high | 101 Ų | 101 | 52 Ų | 52 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | Q156 R157 A158 | Q156-S160 PolarHBondContact O-OG 3.16Å; R157-S160 WeakPolarHBondContact O-CB 3.5Å; R157-S160 PolarHBondContact O-N 3.49Å; A158-S160 PolarHBondContact O-N 3.08Å |
| 161 | F | 92.4 | Very high | 93.1 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 37% | 0.373 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 3.4 | 176.1 | -65.3 | -78.6 | 0 | 0 | 0 | 113.3 | I106 L110 V118 I122 R157 A158 S159 I163 | I106-F161 WeakPolarHBondContact CG1-O 3.46Å; L110-F161 HydrophobicContact CD1-CD1 4.47Å; V118-F161 HydrophobicContact CG1-CB 4.18Å; V118-F161 HydrophobicContact CG1-CD1 3.9Å; V118-F161 HydrophobicContact CG1-CD2 3.76Å; V118-F161 HydrophobicContact CG1-CE1 4.2Å; V118-F161 HydrophobicContact CG1-CE2 4.08Å; V118-F161 HydrophobicContact CG1-CG 3.67Å; V118-F161 HydrophobicContact CG1-CZ 4.28Å; V118-F161 HydrophobicContact CG2-CD1 4.42Å; I122-F161 HydrophobicContact CG2-CD2 4.27Å; I122-F161 HydrophobicContact CG2-CE2 3.73Å; I122-F161 HydrophobicContact CG2-CZ 4.42Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.39Å; A158-F161 PolarHBondContact O-N 2.63Å; S159-F161 PolarHBondContact O-N 3.17Å; F161-I163 VanDerWaalsContact C-N 3.34Å; F161-I163 HydrophobicContact CB-CD1 4.3Å; F161-I163 HydrophobicContact CB-CG1 4.38Å |
| 162 | G | 92 | Very high | 92.8 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 24.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | E99 T102 I106 A158 S159 | E99-G162 VanDerWaalsContact CB-O 3.26Å; E99-G162 WeakPolarHBondContact CB-O 3.46Å; E99-G162 PolarHBondContact N-O 2.98Å; T102-G162 WeakPolarHBondContact OG1-CA 3.18Å; I106-G162 VanDerWaalsContact CD1-O 3.3Å; I106-G162 WeakPolarHBondContact CD1-O 3.43Å; A158-G162 PolarHBondContact O-N 3.12Å; S159-G162 PolarHBondContact O-N 3.1Å |
| 163 | I | 93.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.7 | 177.7 | -55.9 | 171.2 | 0 | 0 | 0 | 108.7 | F96 Y114 V118 L119 A158 S159 F161 L165 | F96-I163 HydrophobicContact CB-CG2 4.14Å; F96-I163 HydrophobicContact CD2-CG2 4.27Å; Y114-I163 HydrophobicContact CD2-CD1 4.02Å; Y114-I163 HydrophobicContact CD2-CG1 4.24Å; Y114-I163 HydrophobicContact CE2-CD1 4.32Å; Y114-I163 HydrophobicContact CE2-CG1 4.26Å; V118-I163 HydrophobicContact CG1-CD1 4.39Å; L119-I163 HydrophobicContact CD2-CD1 3.88Å; L119-I163 HydrophobicContact CD2-CG2 4.14Å; L119-I163 HydrophobicContact CG-CD1 4.25Å; A158-I163 CarbonylContact C-O 3.6Å; A158-I163 VanDerWaalsContact C-O 3.25Å; A158-I163 HydrophobicContact CB-CB 4.28Å; A158-I163 PolarHBondContact O-N 3Å; S159-I163 PolarHBondContact N-O 3.3Å; F161-I163 VanDerWaalsContact C-N 3.34Å; F161-I163 HydrophobicContact CB-CD1 4.3Å; F161-I163 HydrophobicContact CB-CG1 4.38Å; I163-L165 HydrophobicContact CG2-CD2 4.19Å |
| 164 | L | 94 | Very high | 92.6 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.9 | 174 | -57.9 | 174.8 | 0 | 0 | 0 | 109.5 | F96 R97 E99 | F96-L164 CarbonylContact C-O 3.54Å; F96-L164 VanDerWaalsContact CA-O 3.3Å; F96-L164 WeakPolarHBondContact CA-O 3.14Å; R97-L164 HydrophobicContact CG-CB 4.05Å; R97-L164 PolarHBondContact N-O 3.4Å; R97-L164 PolarHBondContact O-N 3.08Å; R97-L164 VanDerWaalsContact O-O 3.11Å; E99-L164 HydrophobicContact CB-CD1 4.13Å; E99-L164 HydrophobicContact CB-CD2 4.4Å; E99-L164 HydrophobicContact CB-CG 3.95Å; E99-L164 HydrophobicContact CG-CD1 4.16Å; E99-L164 HydrophobicContact CG-CD2 4.49Å; E99-L164 HydrophobicContact CG-CG 4.35Å |
| 165 | L | 94.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.5 | 175.8 | -54.2 | 179.1 | 0 | 0 | 0 | 107.6 | L95 F96 L154 A158 I163 I168 | L95-L165 WeakPolarHBondContact O-CA 3.4Å; F96-L165 HydrophobicContact CB-CD2 3.58Å; L154-L165 HydrophobicContact CB-CD1 4.14Å; L154-L165 HydrophobicContact CD2-CD1 3.88Å; L154-L165 HydrophobicContact CG-CD1 3.55Å; A158-L165 HydrophobicContact CB-CD1 3.68Å; A158-L165 HydrophobicContact CB-CD2 4.29Å; A158-L165 HydrophobicContact CB-CG 3.87Å; I163-L165 HydrophobicContact CG2-CD2 4.19Å; L165-I168 HydrophobicContact CB-CD1 4.16Å; L165-I168 HydrophobicContact CB-CG1 4.4Å; L165-I168 HydrophobicContact CD1-CD1 3.71Å; L165-I168 HydrophobicContact CD1-CG1 4.37Å |
| 166 | D | 92.5 | Very high | 92.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -34.9 | -179.3 | -63.7 | -43.1 | 0 | 0 | 0 | 111.4 | S71 L95 R97 | S71-D166 VanDerWaalsContact CB-OD2 3.26Å; S71-D166 WeakPolarHBondContact CB-OD2 3.3Å; S71-D166 PolarHBondContact OG-OD2 3.46Å; L95-D166 HydrophobicContact CB-CB 4.45Å; L95-D166 PolarHBondContact O-N 3.33Å; R97-D166 IonicContact CZ-OD1 3.66Å; R97-D166 IonicContact CZ-OD2 2.85Å; R97-D166 IonicContact NE-OD1 2.82Å; R97-D166 PolarHBondContact NE-OD1 2.95Å; R97-D166 IonicContact NE-OD2 2.85Å; R97-D166 PolarHBondContact NE-OD2 3.01Å; R97-D166 IonicContact NH2-OD1 3.63Å; R97-D166 PolarHBondContact NH2-OD1 2.92Å |
| 167 | D | 91.3 | Very high | 92 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 144.9 | 178.3 | 175.8 | 39.7 | 0 | 0 | 0 | 110.6 | R93 L95 | R93-D167 IonicContact CZ-OD2 3.97Å; R93-D167 IonicContact NH1-OD2 3.25Å; R93-D167 IonicContact NH2-OD2 3.86Å; R93-D167 PolarHBondContact NH2-OD2 2.68Å; L95-D167 HydrophobicContact CB-CB 4.15Å; L95-D167 HydrophobicContact CD1-CB 3.9Å; L95-D167 HydrophobicContact CG-CB 4.39Å; L95-D167 PolarHBondContact N-O 2.86Å |
| 168 | I | 91.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.7 | 178.1 | -62.4 | 155.9 | 0 | 0 | 0 | 107.5 | L92 I94 V150 N151 L154 L165 | L92-I168 HydrophobicContact CD1-CG2 3.64Å; L92-I168 HydrophobicContact CD2-CG2 3.92Å; L92-I168 HydrophobicContact CG-CG2 3.99Å; I94-I168 HydrophobicContact CG2-CG1 4.21Å; I94-I168 HydrophobicContact CG2-CG2 4.32Å; V150-I168 HydrophobicContact CG1-CG2 4.15Å; N151-I168 HydrophobicContact CB-CD1 4.07Å; L154-I168 HydrophobicContact CB-CD1 4.11Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.28Å; L154-I168 HydrophobicContact CG-CD1 4.34Å; L165-I168 HydrophobicContact CB-CD1 4.16Å; L165-I168 HydrophobicContact CB-CG1 4.4Å; L165-I168 HydrophobicContact CD1-CD1 3.71Å; L165-I168 HydrophobicContact CD1-CG1 4.37Å |
| 169 | A | 90.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | R93 T171 | R93-A169 PolarHBondContact N-O 3.36Å; R93-A169 PolarHBondContact O-N 3.01Å; A169-T171 PolarHBondContact O-N 3.17Å |
| 170 | L | 91.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.1 | 161.2 | -56.7 | 171 | 0 | 0 | 0 | 106.4 | I90 L92 L127 R143 V146 S147 I173 | I90-L170 HydrophobicContact CG2-CD2 3.49Å; I90-L170 VanDerWaalsContact CG2-CD2 3.49Å; L92-L170 HydrophobicContact CD1-CD2 3.46Å; L92-L170 VanDerWaalsContact CD1-CD2 3.46Å; L92-L170 HydrophobicContact CD1-CG 4.18Å; L127-L170 HydrophobicContact CD1-CD2 3.95Å; R143-L170 HydrophobicContact CG-CD1 4.19Å; R143-L170 VanDerWaalsContact NH2-C 3.25Å; R143-L170 PolarHBondContact NH2-O 2.95Å; V146-L170 HydrophobicContact CB-CD1 4.3Å; V146-L170 HydrophobicContact CG1-CD1 4.03Å; S147-L170 WeakPolarHBondContact OG-CD1 3.49Å; L170-I173 HydrophobicContact CB-CD1 4.47Å; L170-I173 HydrophobicContact CD1-CD1 4.27Å |
| 171 | T | 89.3 | Confident | 91.7 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -55.2 | -179.6 | 54 | 0 | 0 | 0 | 0 | 112.4 | T91 R93 R143 A169 | T91-T171 WeakPolarHBondContact CB-OG1 3.34Å; T91-T171 WeakPolarHBondContact CG2-OG1 3.46Å; T91-T171 PolarHBondContact O-N 2.98Å; T91-T171 PolarHBondContact O-OG1 3.39Å; T91-T171 VanDerWaalsContact O-OG1 3.08Å; R93-T171 HydrophobicContact CB-CG2 3.64Å; R143-T171 VanDerWaalsContact NH2-CA 3.35Å; R143-T171 PolarHBondContact NH2-O 2.95Å; A169-T171 PolarHBondContact O-N 3.17Å |
| 172 | Q | 88.8 | Confident | 91.6 | Very high | 120 Ų | 120 | 54.6 Ų | 54.6 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.9 | 178.3 | -176.6 | 174.8 | -23.8 | 0 | 0 | 109.1 | I90 T91 | I90-Q172 CarbonylContact C-O 3.6Å; I90-Q172 WeakPolarHBondContact CA-O 3.42Å; T91-Q172 PolarHBondContact N-O 3.14Å |
| 173 | I | 91.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.1 | 171.1 | -56.5 | 175.5 | 0 | 0 | 0 | 105.6 | V88 I90 R143 L170 F175 | V88-I173 HydrophobicContact CG1-CG2 3.59Å; I90-I173 HydrophobicContact CG1-CG1 4.43Å; I90-I173 HydrophobicContact CG1-CG2 4.33Å; R143-I173 HydrophobicContact CG-CD1 4.09Å; L170-I173 HydrophobicContact CB-CD1 4.47Å; L170-I173 HydrophobicContact CD1-CD1 4.27Å; I173-F175 HydrophobicContact CG2-CD2 4.49Å; I173-F175 HydrophobicContact CG2-CE1 4.28Å; I173-F175 HydrophobicContact CG2-CE2 3.69Å; I173-F175 HydrophobicContact CG2-CZ 3.57Å |
| 174 | S | 92.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.2 | 178.1 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | N89 | N89-S174 VanDerWaalsContact CB-OG 3.22Å; N89-S174 WeakPolarHBondContact CB-OG 3.32Å; N89-S174 PolarHBondContact N-O 3.47Å; N89-S174 PolarHBondContact O-N 3.33Å; N89-S174 PolarHBondContact O-OG 3.42Å; N89-S174 VanDerWaalsContact O-OG 3.09Å |
| 175 | F | 92.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 166.1 | 179.6 | -59.6 | -87.2 | 0 | 0 | 0 | 109.6 | V88 A136 L139 I140 I173 F179 | V88-F175 HydrophobicContact CG1-CD1 4.12Å; V88-F175 HydrophobicContact CG1-CE1 3.9Å; V88-F175 HydrophobicContact CG1-CZ 4.43Å; V88-F175 HydrophobicContact CG2-CD1 3.87Å; V88-F175 HydrophobicContact CG2-CE1 3.87Å; A136-F175 HydrophobicContact CB-CD1 4.09Å; A136-F175 HydrophobicContact CB-CE1 3.78Å; L139-F175 HydrophobicContact CB-CE1 4.45Å; L139-F175 HydrophobicContact CB-CZ 4.11Å; L139-F175 HydrophobicContact CD1-CE1 4.29Å; I140-F175 HydrophobicContact CD1-CD2 4.4Å; I140-F175 HydrophobicContact CD1-CE2 3.75Å; I140-F175 HydrophobicContact CD1-CZ 4.02Å; I140-F175 HydrophobicContact CG1-CE2 3.49Å; I140-F175 VanDerWaalsContact CG1-CE2 3.49Å; I140-F175 HydrophobicContact CG1-CZ 3.55Å; I173-F175 HydrophobicContact CG2-CD2 4.49Å; I173-F175 HydrophobicContact CG2-CE1 4.28Å; I173-F175 HydrophobicContact CG2-CE2 3.69Å; I173-F175 HydrophobicContact CG2-CZ 3.57Å; F175-F179 HydrophobicContact CB-CD1 3.73Å; F175-F179 HydrophobicContact CB-CE1 4.47Å; F175-F179 HydrophobicContact CD1-CD1 4.05Å; F175-F179 HydrophobicContact CD1-CE1 4.04Å; F175-F179 AromaticContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CE1 4.14Å |
| 176 | G | 90 | Very high | 91.3 | Very high | 30 Ų | 30 | 69.9 Ų | 69.9 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | trans | -53.8 | 143.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T87 E178 F179 S180 | T87-G176 PolarHBondContact O-N 3.48Å; G176-E178 VanDerWaalsContact C-N 3.3Å; G176-E178 PolarHBondContact O-N 2.81Å; G176-F179 PolarHBondContact O-N 3.07Å; G176-F179 VanDerWaalsContact O-N 3.1Å; G176-S180 PolarHBondContact O-N 3.23Å; G176-S180 VanDerWaalsContact O-N 3.09Å | ||
| 177 | R | 91 | Very high | 91.3 | Very high | 193 Ų | 193 | 71.4 Ų | 71.4 | 73% | 0.728 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -54.9 | -44.2 | -176 | -179.3 | 178.2 | 171.7 | -166.4 | -8.1 | 112.8 | F179 S180 E181 | R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 2.93Å; R177-S180 PolarHBondContact O-N 3.38Å; R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.31Å; R177-E181 IonicContact CZ-OE1 3.66Å; R177-E181 VanDerWaalsContact CZ-OE1 3.3Å; R177-E181 IonicContact NE-OE1 3.31Å; R177-E181 PolarHBondContact NE-OE1 2.93Å; R177-E181 IonicContact NH2-OE1 3.41Å; R177-E181 PolarHBondContact NH2-OE1 2.83Å; R177-E181 WeakPolarHBondContact O-CB 3.12Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.24Å |
| 178 | E | 91.1 | Very high | 91.5 | Very high | 169 Ų | 169 | 72.1 Ų | 72.1 | 79% | 0.79 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 179.8 | -63 | 178.6 | 178.4 | 0 | 0 | 112.3 | G176 A182 | G176-E178 VanDerWaalsContact C-N 3.3Å; G176-E178 PolarHBondContact O-N 2.81Å; E178-A182 VanDerWaalsContact O-CB 3.27Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.85Å |
| 179 | F | 90.6 | Very high | 91.8 | Very high | 32 Ų | 32 | 74.3 Ų | 74.3 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.3 | -45.3 | 177.5 | -178.6 | -96.4 | 0 | 0 | 0 | 111.3 | Q86 A136 F175 G176 R177 A182 V183 | Q86-F179 HydrophobicContact CG-CD2 3.99Å; Q86-F179 HydrophobicContact CG-CE2 4.23Å; A136-F179 HydrophobicContact CB-CE1 3.89Å; A136-F179 HydrophobicContact CB-CE2 4.14Å; A136-F179 HydrophobicContact CB-CZ 3.55Å; F175-F179 HydrophobicContact CB-CD1 3.73Å; F175-F179 HydrophobicContact CB-CE1 4.47Å; F175-F179 HydrophobicContact CD1-CD1 4.05Å; F175-F179 HydrophobicContact CD1-CE1 4.04Å; F175-F179 AromaticContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CE1 4.14Å; G176-F179 PolarHBondContact O-N 3.07Å; G176-F179 VanDerWaalsContact O-N 3.1Å; R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 2.93Å; F179-A182 PolarHBondContact O-N 2.91Å; F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.71Å; F179-V183 HydrophobicContact CE2-CG2 4.16Å; F179-V183 HydrophobicContact CG-CG2 4.48Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 VanDerWaalsContact O-CG2 3.3Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.11Å |
| 180 | S | 89.8 | Confident | 92 | Very high | 39 Ų | 39 | 77.8 Ų | 77.8 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 176.5 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | G176 R177 A182 V183 E184 | G176-S180 PolarHBondContact O-N 3.23Å; G176-S180 VanDerWaalsContact O-N 3.09Å; R177-S180 PolarHBondContact O-N 3.38Å; S180-A182 PolarHBondContact O-N 2.82Å; S180-V183 PolarHBondContact O-N 2.88Å; S180-E184 WeakPolarHBondContact O-CB 3.17Å; S180-E184 WeakPolarHBondContact O-CG 3.26Å; S180-E184 PolarHBondContact O-N 3.19Å |
| 181 | E | 93.2 | Very high | 92.2 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 43% | 0.425 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.2 | -71.9 | 177.4 | 178.2 | 0 | 0 | 111.6 | R177 E184 A185 | R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.31Å; R177-E181 IonicContact CZ-OE1 3.66Å; R177-E181 VanDerWaalsContact CZ-OE1 3.3Å; R177-E181 IonicContact NE-OE1 3.31Å; R177-E181 PolarHBondContact NE-OE1 2.93Å; R177-E181 IonicContact NH2-OE1 3.41Å; R177-E181 PolarHBondContact NH2-OE1 2.83Å; R177-E181 WeakPolarHBondContact O-CB 3.12Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.24Å; E181-E184 PolarHBondContact O-N 2.97Å; E181-A185 WeakPolarHBondContact O-CB 3.42Å; E181-A185 PolarHBondContact O-N 3.48Å |
| 182 | A | 91 | Very high | 92.5 | Very high | 59 Ų | 59 | 85.9 Ų | 85.9 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E178 F179 S180 K186 | E178-A182 VanDerWaalsContact O-CB 3.27Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.85Å; F179-A182 PolarHBondContact O-N 2.91Å; S180-A182 PolarHBondContact O-N 2.82Å; A182-K186 WeakPolarHBondContact O-CB 3.3Å; A182-K186 PolarHBondContact O-N 3.43Å |
| 183 | V | 89.5 | Confident | 92.8 | Very high | 55 Ų | 55 | 82.3 Ų | 82.3 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 177 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | F179 S180 K186 Q187 | F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.71Å; F179-V183 HydrophobicContact CE2-CG2 4.16Å; F179-V183 HydrophobicContact CG-CG2 4.48Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 VanDerWaalsContact O-CG2 3.3Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.11Å; S180-V183 PolarHBondContact O-N 2.88Å; V183-K186 PolarHBondContact O-N 2.95Å; V183-Q187 WeakPolarHBondContact O-CB 3.45Å; V183-Q187 PolarHBondContact O-N 3.13Å |
| 184 | E | 91.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 85.5 Ų | 85.5 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 175.6 | -74.2 | 176.1 | -172.4 | 0 | 0 | 111.3 | S180 E181 K186 Q187 V188 | S180-E184 WeakPolarHBondContact O-CB 3.17Å; S180-E184 WeakPolarHBondContact O-CG 3.26Å; S180-E184 PolarHBondContact O-N 3.19Å; E181-E184 PolarHBondContact O-N 2.97Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 2.96Å; E184-Q187 PolarHBondContact O-N 3.02Å; E184-Q187 VanDerWaalsContact O-N 3.17Å; E184-V188 WeakPolarHBondContact O-CG2 3.02Å; E184-V188 PolarHBondContact O-N 3.06Å |
| 185 | A | 95.5 | Very high | 93.3 | Very high | 61 Ų | 61 | 92.9 Ų | 92.9 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E181 V188 A189 | E181-A185 WeakPolarHBondContact O-CB 3.42Å; E181-A185 PolarHBondContact O-N 3.48Å; A185-V188 PolarHBondContact O-N 3.12Å; A185-A189 WeakPolarHBondContact O-CB 3.38Å; A185-A189 PolarHBondContact O-N 3.4Å |
| 186 | K | 92.2 | Very high | 93.5 | Very high | 163 Ų | 163 | 94.2 Ų | 94.2 | 71% | 0.709 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 175.7 | -174.2 | 179.7 | 179.9 | -177.4 | 0 | 111.8 | A182 V183 E184 A189 Q190 | A182-K186 WeakPolarHBondContact O-CB 3.3Å; A182-K186 PolarHBondContact O-N 3.43Å; V183-K186 PolarHBondContact O-N 2.95Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 2.96Å; K186-A189 PolarHBondContact O-N 3.46Å; K186-Q190 WeakPolarHBondContact O-CB 3.38Å; K186-Q190 PolarHBondContact O-N 3.46Å |
| 187 | Q | 92.7 | Very high | 93.8 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 179.4 | -174.3 | 60.9 | 63 | 0 | 0 | 111.7 | V183 E184 Q190 Q191 | V183-Q187 WeakPolarHBondContact O-CB 3.45Å; V183-Q187 PolarHBondContact O-N 3.13Å; E184-Q187 PolarHBondContact O-N 3.02Å; E184-Q187 VanDerWaalsContact O-N 3.17Å; Q187-Q190 PolarHBondContact O-N 3.47Å; Q187-Q191 VanDerWaalsContact O-CG 3.31Å; Q187-Q191 WeakPolarHBondContact O-CG 3.26Å; Q187-Q191 PolarHBondContact O-N 2.91Å |
| 188 | V | 95.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | E184 A185 Q190 Q191 E192 | E184-V188 WeakPolarHBondContact O-CG2 3.02Å; E184-V188 PolarHBondContact O-N 3.06Å; A185-V188 PolarHBondContact O-N 3.12Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 3.13Å; V188-Q191 PolarHBondContact O-N 3.38Å; V188-Q191 VanDerWaalsContact O-N 3.14Å; V188-E192 HydrophobicContact CG1-CG 4.42Å; V188-E192 WeakPolarHBondContact O-CG 3.45Å; V188-E192 PolarHBondContact O-N 3.08Å |
| 189 | A | 96 | Very high | 94.4 | Very high | 54 Ų | 54 | 97.2 Ų | 97.2 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A185 K186 E192 A193 | A185-A189 WeakPolarHBondContact O-CB 3.38Å; A185-A189 PolarHBondContact O-N 3.4Å; K186-A189 PolarHBondContact O-N 3.46Å; A189-E192 PolarHBondContact O-N 3.42Å; A189-A193 WeakPolarHBondContact O-CB 3.17Å; A189-A193 PolarHBondContact O-N 3.43Å |
| 190 | Q | 95.2 | Very high | 94.7 | Very high | 96 Ų | 96 | 99.5 Ų | 99.5 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 175.7 | -178 | 63.7 | 22.4 | 0 | 0 | 111.9 | K186 Q187 V188 A193 E194 | K186-Q190 WeakPolarHBondContact O-CB 3.38Å; K186-Q190 PolarHBondContact O-N 3.46Å; Q187-Q190 PolarHBondContact O-N 3.47Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 3.13Å; Q190-A193 PolarHBondContact O-N 2.9Å; Q190-E194 PolarHBondContact NE2-OE1 3.01Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.08Å |
| 191 | Q | 95.6 | Very high | 95 | Very high | 109 Ų | 109 | 102.9 Ų | 102.9 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.7 | -73.3 | 174.5 | 9.6 | 0 | 0 | 112.1 | Q187 V188 E194 R195 | Q187-Q191 VanDerWaalsContact O-CG 3.31Å; Q187-Q191 WeakPolarHBondContact O-CG 3.26Å; Q187-Q191 PolarHBondContact O-N 2.91Å; V188-Q191 PolarHBondContact O-N 3.38Å; V188-Q191 VanDerWaalsContact O-N 3.14Å; Q191-E194 PolarHBondContact O-N 3.19Å; Q191-R195 VanDerWaalsContact O-CB 3.31Å; Q191-R195 WeakPolarHBondContact O-CB 3.48Å; Q191-R195 PolarHBondContact O-N 3.26Å |
| 192 | E | 96.5 | Very high | 95.2 | Very high | 130 Ų | 130 | 103.6 Ų | 103.6 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 174.5 | -74 | -179.6 | 175.4 | 0 | 0 | 111.5 | V188 A189 R195 A196 | V188-E192 HydrophobicContact CG1-CG 4.42Å; V188-E192 WeakPolarHBondContact O-CG 3.45Å; V188-E192 PolarHBondContact O-N 3.08Å; A189-E192 PolarHBondContact O-N 3.42Å; E192-R195 PolarHBondContact O-N 3.09Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å |
| 193 | A | 96.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 103.3 Ų | 103.3 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A189 Q190 A196 R197 | A189-A193 WeakPolarHBondContact O-CB 3.17Å; A189-A193 PolarHBondContact O-N 3.43Å; Q190-A193 PolarHBondContact O-N 2.9Å; A193-A196 PolarHBondContact O-N 3.12Å; A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.83Å |
| 194 | E | 97.1 | Very high | 95.8 | Very high | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175 | -76.4 | 171.1 | -167.3 | 0 | 0 | 111.8 | Q190 Q191 R197 Y198 | Q190-E194 PolarHBondContact NE2-OE1 3.01Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.08Å; Q191-E194 PolarHBondContact O-N 3.19Å; E194-R197 PolarHBondContact O-N 2.91Å; E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.78Å |
| 195 | R | 96.9 | Very high | 96 | Very high | 193 Ų | 193 | 104.9 Ų | 104.9 | 73% | 0.728 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 175.4 | -175.4 | 177.7 | -174.5 | 150.6 | 2 | 112 | Q191 E192 Y198 L199 | Q191-R195 VanDerWaalsContact O-CB 3.31Å; Q191-R195 WeakPolarHBondContact O-CB 3.48Å; Q191-R195 PolarHBondContact O-N 3.26Å; E192-R195 PolarHBondContact O-N 3.09Å; R195-Y198 PolarHBondContact O-N 3.06Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 PolarHBondContact O-N 3.47Å |
| 196 | A | 96.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 107.3 Ų | 107.3 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E192 A193 L199 V200 | E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å; A193-A196 PolarHBondContact O-N 3.12Å; A196-L199 PolarHBondContact O-N 2.84Å; A196-V200 WeakPolarHBondContact O-CG2 3.17Å; A196-V200 PolarHBondContact O-N 3.41Å; A196-V200 VanDerWaalsContact O-N 3.09Å |
| 197 | R | 96.9 | Very high | 96.3 | Very high | 190 Ų | 190 | 106.4 Ų | 106.4 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 173.7 | -74 | 177.4 | 178.1 | -169.5 | 0 | 112.1 | A193 E194 L199 V200 E201 | A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.83Å; E194-R197 PolarHBondContact O-N 2.91Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.47Å; R197-V200 PolarHBondContact O-N 2.67Å; R197-E201 PolarHBondContact O-N 3.17Å |
| 198 | Y | 97.1 | Very high | 96.4 | Very high | 149 Ų | 149 | 105.9 Ų | 105.9 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 177.6 | -178.8 | -102.2 | 0 | 0 | 0 | 112.3 | E194 R195 K202 | E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.78Å; R195-Y198 PolarHBondContact O-N 3.06Å; Y198-K202 HydrophobicContact CE1-CD 4.39Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 3.49Å |
| 199 | L | 97.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 175.9 | -172.5 | 153.5 | 0 | 0 | 0 | 111.7 | R195 A196 R197 K202 A203 | R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 PolarHBondContact O-N 3.47Å; A196-L199 PolarHBondContact O-N 2.84Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.37Å; L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 2.96Å |
| 200 | V | 96.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | A196 R197 K202 A203 E204 | A196-V200 WeakPolarHBondContact O-CG2 3.17Å; A196-V200 PolarHBondContact O-N 3.41Å; A196-V200 VanDerWaalsContact O-N 3.09Å; R197-V200 PolarHBondContact O-N 2.67Å; V200-K202 PolarHBondContact O-N 3.45Å; V200-A203 WeakPolarHBondContact O-CB 3.44Å; V200-A203 PolarHBondContact O-N 3.26Å; V200-A203 VanDerWaalsContact O-N 3.13Å; V200-E204 WeakPolarHBondContact O-CG 3.45Å; V200-E204 PolarHBondContact O-N 3.04Å |
| 201 | E | 96.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 104.2 Ų | 104.2 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.8 | -175.4 | 178.7 | -176.9 | 0 | 0 | 111.5 | R197 A203 E204 Q205 | R197-E201 PolarHBondContact O-N 3.17Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.33Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.49Å; E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 2.97Å |
| 202 | K | 97.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 104.3 Ų | 104.3 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 175.1 | -178.4 | 175.1 | 178.6 | -179.5 | 0 | 111.5 | Y198 L199 V200 Q205 H206 | Y198-K202 HydrophobicContact CE1-CD 4.39Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 3.49Å; L199-K202 PolarHBondContact O-N 3.37Å; V200-K202 PolarHBondContact O-N 3.45Å; K202-Q205 PolarHBondContact O-N 3Å; K202-H206 WeakPolarHBondContact CE-NE2 3.49Å; K202-H206 PolarHBondContact O-CD2 2.87Å; K202-H206 PolarHBondContact O-N 2.81Å |
| 203 | A | 96.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 101.5 Ų | 101.5 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L199 V200 E201 H206 K207 | L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 2.96Å; V200-A203 WeakPolarHBondContact O-CB 3.44Å; V200-A203 PolarHBondContact O-N 3.26Å; V200-A203 VanDerWaalsContact O-N 3.13Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.33Å; A203-H206 PolarHBondContact O-N 3.06Å; A203-K207 WeakPolarHBondContact O-CB 3.33Å; A203-K207 PolarHBondContact O-N 3.27Å |
| 204 | E | 96.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 173.7 | -72.4 | 179.1 | 172.2 | 0 | 0 | 111.9 | V200 E201 H206 K207 L208 | V200-E204 WeakPolarHBondContact O-CG 3.45Å; V200-E204 PolarHBondContact O-N 3.04Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.49Å; E204-H206 PolarHBondContact O-N 3.48Å; E204-K207 WeakPolarHBondContact O-CB 3.19Å; E204-K207 PolarHBondContact O-N 3.25Å; E204-L208 WeakPolarHBondContact O-CG 3.36Å; E204-L208 PolarHBondContact O-N 2.8Å |
| 205 | Q | 96.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.6 | -66.8 | -57.6 | -35.4 | 0 | 0 | 111.9 | E201 K202 K207 L208 A209 | E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 2.97Å; K202-Q205 PolarHBondContact O-N 3Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 3.26Å; Q205-L208 PolarHBondContact O-N 2.85Å; Q205-A209 WeakPolarHBondContact O-CB 3.23Å; Q205-A209 PolarHBondContact O-N 2.52Å |
| 206 | H | 96.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 173.9 | -79.5 | -60.2 | 0 | 0 | 0 | 112.4 | K202 A203 E204 A210 | K202-H206 WeakPolarHBondContact CE-NE2 3.49Å; K202-H206 PolarHBondContact O-CD2 2.87Å; K202-H206 PolarHBondContact O-N 2.81Å; A203-H206 PolarHBondContact O-N 3.06Å; E204-H206 PolarHBondContact O-N 3.48Å; H206-A210 WeakPolarHBondContact O-CB 3.5Å; H206-A210 PolarHBondContact O-N 2.85Å |
| 207 | K | 96.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 98.1 Ų | 98.1 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.2 | -178.4 | -175.1 | 175.7 | -173.7 | 0 | 111.3 | A203 E204 Q205 A210 I211 | A203-K207 WeakPolarHBondContact O-CB 3.33Å; A203-K207 PolarHBondContact O-N 3.27Å; E204-K207 WeakPolarHBondContact O-CB 3.19Å; E204-K207 PolarHBondContact O-N 3.25Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 3.26Å; K207-A210 PolarHBondContact O-N 2.81Å; K207-I211 HydrophobicContact CG-CD1 4.21Å; K207-I211 WeakPolarHBondContact O-CG1 3.38Å; K207-I211 PolarHBondContact O-N 2.9Å; K207-I211 VanDerWaalsContact O-N 3.08Å |
| 208 | L | 96.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 92.6 Ų | 92.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.3 | -72.1 | 172 | 0 | 0 | 0 | 111.6 | E204 Q205 A210 I211 I212 | E204-L208 WeakPolarHBondContact O-CG 3.36Å; E204-L208 PolarHBondContact O-N 2.8Å; Q205-L208 PolarHBondContact O-N 2.85Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.25Å; L208-I211 PolarHBondContact O-N 2.8Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.38Å |
| 209 | A | 95.9 | Very high | 96 | Very high | 50 Ų | 50 | 92 Ų | 92 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q205 I211 I212 S213 | Q205-A209 WeakPolarHBondContact O-CB 3.23Å; Q205-A209 PolarHBondContact O-N 2.52Å; A209-I211 PolarHBondContact O-N 2.97Å; A209-I212 PolarHBondContact O-N 3.35Å; A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.43Å; A209-S213 VanDerWaalsContact O-OG 3.09Å |
| 210 | A | 96.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 88.6 Ų | 88.6 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | H206 K207 L208 A214 | H206-A210 WeakPolarHBondContact O-CB 3.5Å; H206-A210 PolarHBondContact O-N 2.85Å; K207-A210 PolarHBondContact O-N 2.81Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.25Å; A210-A214 WeakPolarHBondContact O-CB 3.29Å; A210-A214 PolarHBondContact O-N 2.85Å; A210-A214 VanDerWaalsContact O-N 3.09Å |
| 211 | I | 96.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 87.5 Ų | 87.5 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 175.6 | -66.5 | 165.8 | 0 | 0 | 0 | 110.4 | K207 L208 A209 S213 A214 E215 | K207-I211 HydrophobicContact CG-CD1 4.21Å; K207-I211 WeakPolarHBondContact O-CG1 3.38Å; K207-I211 PolarHBondContact O-N 2.9Å; K207-I211 VanDerWaalsContact O-N 3.08Å; L208-I211 PolarHBondContact O-N 2.8Å; A209-I211 PolarHBondContact O-N 2.97Å; I211-S213 VanDerWaalsContact C-N 3.32Å; I211-S213 PolarHBondContact O-N 2.88Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.16Å; I211-E215 HydrophobicContact CG2-CG 4.38Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.01Å |
| 212 | I | 96.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 85.6 Ų | 85.6 | 57% | 0.569 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 179.4 | -67.6 | 166.8 | 0 | 0 | 0 | 111 | L208 A209 G216 | L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.38Å; A209-I212 PolarHBondContact O-N 3.35Å; I212-G216 PolarHBondContact O-N 3.49Å |
| 213 | S | 94.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.9 | -66.7 | 0 | 0 | 0 | 0 | 112 | A209 I211 G216 D217 | A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.43Å; A209-S213 VanDerWaalsContact O-OG 3.09Å; I211-S213 VanDerWaalsContact C-N 3.32Å; I211-S213 PolarHBondContact O-N 2.88Å; S213-G216 PolarHBondContact O-N 3.49Å; S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 3.4Å |
| 214 | A | 95.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 88.3 Ų | 88.3 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A210 I211 S218 | A210-A214 WeakPolarHBondContact O-CB 3.29Å; A210-A214 PolarHBondContact O-N 2.85Å; A210-A214 VanDerWaalsContact O-N 3.09Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.16Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.19Å |
| 215 | E | 95.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 172.7 | -73.5 | 176.1 | 172.4 | 0 | 0 | 111.1 | I211 D217 S218 E219 | I211-E215 HydrophobicContact CG2-CG 4.38Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.01Å; E215-D217 PolarHBondContact O-N 2.95Å; E215-S218 WeakPolarHBondContact O-CB 3.2Å; E215-S218 PolarHBondContact O-N 3.31Å; E215-E219 WeakPolarHBondContact O-CB 3.23Å; E215-E219 WeakPolarHBondContact O-CG 3.44Å; E215-E219 PolarHBondContact O-N 3.06Å |
| 216 | G | 96.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I212 S213 A220 | I212-G216 PolarHBondContact O-N 3.49Å; S213-G216 PolarHBondContact O-N 3.49Å; G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.5Å |
| 217 | D | 94 | Very high | 92.7 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 175.2 | -72.6 | -19.1 | 0 | 0 | 0 | 111.5 | S213 E215 A221 | S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 3.4Å; E215-D217 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.38Å; D217-A221 PolarHBondContact O-N 3.41Å |
| 218 | S | 93.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 83 Ų | 83 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | A214 E215 A221 T222 | A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.19Å; E215-S218 WeakPolarHBondContact O-CB 3.2Å; E215-S218 PolarHBondContact O-N 3.31Å; S218-A221 PolarHBondContact O-N 3.03Å; S218-T222 WeakPolarHBondContact O-CG2 3.27Å; S218-T222 PolarHBondContact O-N 2.95Å |
| 219 | E | 94.2 | Very high | 91 | Very high | 137 Ų | 137 | 82.1 Ų | 82.1 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | 176.9 | -73.7 | -172 | 171.8 | 0 | 0 | 111.6 | E215 A221 T222 L223 | E215-E219 WeakPolarHBondContact O-CB 3.23Å; E215-E219 WeakPolarHBondContact O-CG 3.44Å; E215-E219 PolarHBondContact O-N 3.06Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.83Å; E219-T222 PolarHBondContact O-N 3.39Å; E219-T222 PolarHBondContact O-OG1 2.86Å; E219-L223 WeakPolarHBondContact O-CB 3.45Å; E219-L223 PolarHBondContact O-N 3.25Å |
| 220 | A | 93 | Very high | 90.1 | Very high | 45 Ų | 45 | 84.2 Ų | 84.2 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G216 T222 L223 L224 | G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.5Å; A220-T222 PolarHBondContact O-N 3.34Å; A220-L223 PolarHBondContact O-N 3.09Å; A220-L224 VanDerWaalsContact O-CB 3.29Å; A220-L224 WeakPolarHBondContact O-CB 3.18Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 3.33Å |
| 221 | A | 90.6 | Very high | 88.7 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D217 S218 E219 S225 | D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.38Å; D217-A221 PolarHBondContact O-N 3.41Å; S218-A221 PolarHBondContact O-N 3.03Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.83Å; A221-S225 VanDerWaalsContact O-CB 3.23Å; A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 2.88Å |
| 222 | T | 90.9 | Very high | 87.4 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 175.8 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | S218 E219 A220 K226 | S218-T222 WeakPolarHBondContact O-CG2 3.27Å; S218-T222 PolarHBondContact O-N 2.95Å; E219-T222 PolarHBondContact O-N 3.39Å; E219-T222 PolarHBondContact O-OG1 2.86Å; A220-T222 PolarHBondContact O-N 3.34Å; T222-K226 WeakPolarHBondContact O-CB 3.39Å; T222-K226 VanDerWaalsContact O-CG 3.27Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 2.97Å |
| 223 | L | 90.2 | Very high | 86.6 | Confident | 121 Ų | 121 | 85.6 Ų | 85.6 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71 | -44.2 | 178.6 | -172.9 | 69.2 | 0 | 0 | 0 | 111.2 | E219 A220 K226 S227 | E219-L223 WeakPolarHBondContact O-CB 3.45Å; E219-L223 PolarHBondContact O-N 3.25Å; A220-L223 PolarHBondContact O-N 3.09Å; L223-K226 PolarHBondContact O-N 2.97Å; L223-S227 VanDerWaalsContact O-CB 3.28Å; L223-S227 WeakPolarHBondContact O-CB 3.49Å; L223-S227 PolarHBondContact O-N 2.98Å |
| 224 | L | 85.9 | Confident | 86 | Confident | 93 Ų | 93 | 84.7 Ų | 84.7 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 172.8 | -75.1 | 172.9 | 0 | 0 | 0 | 111 | A220 K226 S227 F228 | A220-L224 VanDerWaalsContact O-CB 3.29Å; A220-L224 WeakPolarHBondContact O-CB 3.18Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 3.33Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.99Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 VanDerWaalsContact O-N 3.16Å; L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.15Å; L224-F228 HydrophobicContact CD2-CZ 4.15Å; L224-F228 HydrophobicContact CG-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CB 3.4Å; L224-F228 WeakPolarHBondContact O-CD2 3.4Å; L224-F228 WeakPolarHBondContact O-CG 3.22Å; L224-F228 PolarHBondContact O-N 2.83Å |
| 225 | S | 83.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 86.5 Ų | 86.5 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.8 | -45.1 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 112 | A221 G229 | A221-S225 VanDerWaalsContact O-CB 3.23Å; A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 2.88Å; S225-G229 PolarHBondContact O-N 3.06Å |
| 226 | K | 86.2 | Confident | 84.7 | Confident | 149 Ų | 149 | 85.2 Ų | 85.2 | 65% | 0.648 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 173.7 | -72.6 | 168.9 | -176.6 | 171.5 | 0 | 112.1 | T222 L223 L224 G229 S230 | T222-K226 WeakPolarHBondContact O-CB 3.39Å; T222-K226 VanDerWaalsContact O-CG 3.27Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 2.97Å; L223-K226 PolarHBondContact O-N 2.97Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.99Å; K226-G229 PolarHBondContact O-N 2.9Å; K226-S230 PolarHBondContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 3.26Å |
| 227 | S | 82.6 | Confident | 84.2 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | L223 L224 G229 S230 S231 | L223-S227 VanDerWaalsContact O-CB 3.28Å; L223-S227 WeakPolarHBondContact O-CB 3.49Å; L223-S227 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 VanDerWaalsContact O-N 3.16Å; S227-G229 VanDerWaalsContact C-N 3.35Å; S227-S230 WeakPolarHBondContact CA-OG 3.44Å; S227-S230 PolarHBondContact O-N 3.49Å; S227-S230 PolarHBondContact O-OG 2.66Å; S227-S231 VanDerWaalsContact O-CB 3.3Å; S227-S231 WeakPolarHBondContact O-CB 3.35Å; S227-S231 PolarHBondContact O-N 2.84Å; S227-S231 PolarHBondContact O-OG 3Å |
| 228 | F | 80.1 | Confident | 83.9 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 172.3 | -65.8 | -47.2 | 0 | 0 | 0 | 111.7 | L224 S230 S231 G232 L235 | L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.15Å; L224-F228 HydrophobicContact CD2-CZ 4.15Å; L224-F228 HydrophobicContact CG-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CB 3.4Å; L224-F228 WeakPolarHBondContact O-CD2 3.4Å; L224-F228 WeakPolarHBondContact O-CG 3.22Å; L224-F228 PolarHBondContact O-N 2.83Å; F228-S230 VanDerWaalsContact C-N 3.26Å; F228-S230 PolarHBondContact O-N 2.86Å; F228-S231 CarbonylContact O-C 3.46Å; F228-S231 PolarHBondContact O-N 2.86Å; F228-G232 PolarHBondContact O-N 2.74Å; F228-L235 HydrophobicContact CD1-CD2 4Å; F228-L235 HydrophobicContact CE1-CD2 3.46Å; F228-L235 VanDerWaalsContact CE1-CD2 3.46Å |
| 229 | G | 77.9 | Confident | 83.5 | Confident | 69 Ų | 69 | 92.8 Ų | 92.8 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -36.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | S225 K226 S227 | S225-G229 PolarHBondContact O-N 3.06Å; K226-G229 PolarHBondContact O-N 2.9Å; S227-G229 VanDerWaalsContact C-N 3.35Å |
| 230 | S | 77.4 | Confident | 83.3 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.6 | -32.4 | 174.7 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | K226 S227 F228 | K226-S230 PolarHBondContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 3.26Å; S227-S230 WeakPolarHBondContact CA-OG 3.44Å; S227-S230 PolarHBondContact O-N 3.49Å; S227-S230 PolarHBondContact O-OG 2.66Å; F228-S230 VanDerWaalsContact C-N 3.26Å; F228-S230 PolarHBondContact O-N 2.86Å |
| 231 | S | 66.6 | Low | 83.3 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -112.4 | 48.5 | -172.8 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | S227 F228 | S227-S231 VanDerWaalsContact O-CB 3.3Å; S227-S231 WeakPolarHBondContact O-CB 3.35Å; S227-S231 PolarHBondContact O-N 2.84Å; S227-S231 PolarHBondContact O-OG 3Å; F228-S231 CarbonylContact O-C 3.46Å; F228-S231 PolarHBondContact O-N 2.86Å |
| 232 | G | 69.2 | Low | 83.5 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | trans | 62.3 | 140.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | F228 G234 L235 | F228-G232 PolarHBondContact O-N 2.74Å; G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.08Å; G232-L235 PolarHBondContact O-N 2.84Å | ||
| 233 | E | 79.7 | Confident | 83.6 | Confident | 161 Ų | 161 | 97.3 Ų | 97.3 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.1 | 175.5 | -173.9 | 172.2 | -173.1 | 0 | 0 | 114.1 | L235 I236 E237 | E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 3.44Å; E233-I236 WeakPolarHBondContact O-CB 3.28Å; E233-I236 PolarHBondContact O-N 2.88Å; E233-I236 VanDerWaalsContact O-N 3.08Å; E233-E237 PolarHBondContact O-N 2.94Å |
| 234 | G | 81.1 | Confident | 83.6 | Confident | 52 Ų | 52 | 94.3 Ų | 94.3 | 54% | 0.536 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -28.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G232 L238 | G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.08Å; G234-L238 PolarHBondContact O-N 3.05Å |
| 235 | L | 81.5 | Confident | 83.9 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.2 | -30 | 178.3 | -155.8 | 119.1 | 0 | 0 | 0 | 112.3 | F228 G232 E233 R239 | F228-L235 HydrophobicContact CD1-CD2 4Å; F228-L235 HydrophobicContact CE1-CD2 3.46Å; F228-L235 VanDerWaalsContact CE1-CD2 3.46Å; G232-L235 PolarHBondContact O-N 2.84Å; E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 3.44Å; L235-R239 PolarHBondContact O-N 3.45Å |
| 236 | I | 84 | Confident | 84.3 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 176.7 | -59.6 | 173.1 | 0 | 0 | 0 | 110 | E233 R239 R240 | E233-I236 WeakPolarHBondContact O-CB 3.28Å; E233-I236 PolarHBondContact O-N 2.88Å; E233-I236 VanDerWaalsContact O-N 3.08Å; I236-R239 PolarHBondContact O-N 2.96Å; I236-R240 PolarHBondContact O-N 3.42Å |
| 237 | E | 85.6 | Confident | 84.4 | Confident | 117 Ų | 117 | 95.3 Ų | 95.3 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | -179.4 | -161.9 | 157.1 | -147.7 | 0 | 0 | 111.7 | E233 R239 R240 I241 | E233-E237 PolarHBondContact O-N 2.94Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.2Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 3.45Å; E237-I241 WeakPolarHBondContact O-CG1 3.36Å; E237-I241 PolarHBondContact O-N 3.14Å; E237-I241 VanDerWaalsContact O-N 3.16Å |
| 238 | L | 87.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 171.2 | -177.8 | 64 | 0 | 0 | 0 | 111.5 | G234 R240 I241 E242 | G234-L238 PolarHBondContact O-N 3.05Å; L238-R240 VanDerWaalsContact C-N 3.32Å; L238-R240 PolarHBondContact O-N 2.8Å; L238-I241 PolarHBondContact O-N 3.21Å; L238-I241 VanDerWaalsContact O-N 3.17Å; L238-E242 PolarHBondContact O-N 3.11Å |
| 239 | R | 85.5 | Confident | 84.9 | Confident | 171 Ų | 171 | 97.7 Ų | 97.7 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -34.2 | 179.9 | -159.7 | 68.5 | 177 | 162.2 | -0.2 | 113 | L235 I236 E237 I241 E242 A243 | L235-R239 PolarHBondContact O-N 3.45Å; I236-R239 PolarHBondContact O-N 2.96Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.2Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-E242 IonicContact CZ-OE2 3.75Å; R239-E242 IonicContact NH1-OE2 2.77Å; R239-E242 PolarHBondContact NH1-OE2 2.96Å; R239-A243 WeakPolarHBondContact O-CB 3.4Å; R239-A243 PolarHBondContact O-N 3.1Å |
| 240 | R | 90.7 | Very high | 85.3 | Confident | 181 Ų | 181 | 100 Ų | 100 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 174 | -179.9 | -173.7 | -74 | -176.2 | -1.7 | 111.1 | I236 E237 L238 A244 | I236-R240 PolarHBondContact O-N 3.42Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 3.45Å; L238-R240 VanDerWaalsContact C-N 3.32Å; L238-R240 PolarHBondContact O-N 2.8Å; R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.15Å; R240-A244 VanDerWaalsContact O-N 3.07Å |
| 241 | I | 93.1 | Very high | 85.7 | Confident | 107 Ų | 107 | 99 Ų | 99 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 178.8 | -64.6 | 167.5 | 0 | 0 | 0 | 110.3 | E237 L238 R239 A243 A244 E245 | E237-I241 WeakPolarHBondContact O-CG1 3.36Å; E237-I241 PolarHBondContact O-N 3.14Å; E237-I241 VanDerWaalsContact O-N 3.16Å; L238-I241 PolarHBondContact O-N 3.21Å; L238-I241 VanDerWaalsContact O-N 3.17Å; R239-I241 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.13Å; I241-A244 WeakPolarHBondContact O-CB 3.29Å; I241-A244 PolarHBondContact O-N 3.34Å; I241-E245 PolarHBondContact O-N 3.47Å |
| 242 | E | 93.9 | Very high | 86.4 | Confident | 71 Ų | 71 | 99.8 Ų | 99.8 | 33% | 0.332 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 176.3 | -70.6 | 177.2 | 172.2 | 0 | 0 | 112.2 | L238 R239 A244 E245 D246 | L238-E242 PolarHBondContact O-N 3.11Å; R239-E242 IonicContact CZ-OE2 3.75Å; R239-E242 IonicContact NH1-OE2 2.77Å; R239-E242 PolarHBondContact NH1-OE2 2.96Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.87Å; E242-E245 WeakPolarHBondContact O-CB 3.23Å; E242-E245 PolarHBondContact O-N 3.07Å; E242-D246 PolarHBondContact O-N 3.27Å |
| 243 | A | 93.8 | Very high | 86.9 | Confident | 46 Ų | 46 | 103.3 Ų | 103.3 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R239 I241 E245 D246 I247 | R239-A243 WeakPolarHBondContact O-CB 3.4Å; R239-A243 PolarHBondContact O-N 3.1Å; I241-A243 PolarHBondContact O-N 3.13Å; A243-E245 VanDerWaalsContact C-N 3.34Å; A243-D246 PolarHBondContact O-N 3.24Å; A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.26Å; A243-I247 PolarHBondContact O-N 3.35Å |
| 244 | A | 90.6 | Very high | 87 | Confident | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R240 I241 E242 A248 | R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.15Å; R240-A244 VanDerWaalsContact O-N 3.07Å; I241-A244 WeakPolarHBondContact O-CB 3.29Å; I241-A244 PolarHBondContact O-N 3.34Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.87Å; A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.82Å |
| 245 | E | 92 | Very high | 86.6 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -48.6 | 173.9 | -173.7 | -179.5 | 173.1 | 0 | 0 | 111.7 | I241 E242 A243 I247 A248 Y249 | I241-E245 PolarHBondContact O-N 3.47Å; E242-E245 WeakPolarHBondContact O-CB 3.23Å; E242-E245 PolarHBondContact O-N 3.07Å; A243-E245 VanDerWaalsContact C-N 3.34Å; E245-I247 PolarHBondContact O-N 2.85Å; E245-A248 PolarHBondContact O-N 3.4Å; E245-Y249 WeakPolarHBondContact O-CB 3.38Å; E245-Y249 PolarHBondContact O-N 3.02Å |
| 246 | D | 91.1 | Very high | 86.4 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.4 | -44.5 | 177.9 | -84.5 | -20.4 | 0 | 0 | 0 | 112.3 | E242 A243 Y249 Q250 | E242-D246 PolarHBondContact O-N 3.27Å; A243-D246 PolarHBondContact O-N 3.24Å; D246-Y249 PolarHBondContact O-N 2.84Å; D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.43Å |
| 247 | I | 89.6 | Confident | 85.8 | Confident | 103 Ų | 103 | 112.3 Ų | 112.3 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -49.4 | 176.3 | -69.5 | 165.4 | 0 | 0 | 0 | 109.6 | A243 E245 Y249 Q250 L251 | A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.26Å; A243-I247 PolarHBondContact O-N 3.35Å; E245-I247 PolarHBondContact O-N 2.85Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 2.88Å; I247-Q250 PolarHBondContact O-N 2.78Å; I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.41Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.11Å |
| 248 | A | 86.2 | Confident | 85.2 | Confident | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.4 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A244 E245 L251 S252 | A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.82Å; E245-A248 PolarHBondContact O-N 3.4Å; A248-L251 PolarHBondContact O-N 3.4Å; A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 2.93Å |
| 249 | Y | 86.7 | Confident | 84.3 | Confident | 126 Ų | 126 | 117.1 Ų | 117.1 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -47.8 | 176.3 | -179.4 | -106.5 | 0 | 0 | 0 | 112.5 | E245 D246 I247 S252 K253 | E245-Y249 WeakPolarHBondContact O-CB 3.38Å; E245-Y249 PolarHBondContact O-N 3.02Å; D246-Y249 PolarHBondContact O-N 2.84Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 2.88Å; Y249-S252 PolarHBondContact O-N 3.37Å; Y249-S252 PolarHBondContact O-OG 2.82Å; Y249-K253 HydrophobicContact CE1-CD 4.38Å; Y249-K253 PolarHBondContact O-N 3.28Å; Y249-K253 WeakPolarHBondContact OH-CE 3.46Å; Y249-K253 PolarHBondContact OH-NZ 3.36Å |
| 250 | Q | 86.8 | Confident | 83.6 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 177.4 | -67.5 | -66.5 | -20.5 | 0 | 0 | 112.3 | D246 I247 K253 | D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.43Å; I247-Q250 PolarHBondContact O-N 2.78Å; Q250-K253 PolarHBondContact O-N 2.93Å |
| 251 | L | 84.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 107.2 Ų | 107.2 | 38% | 0.377 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.7 | -64.9 | 172.8 | 0 | 0 | 0 | 111.6 | I247 A248 K253 N254 I257 | I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.41Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.11Å; A248-L251 PolarHBondContact O-N 3.4Å; L251-K253 PolarHBondContact O-N 3.47Å; L251-N254 PolarHBondContact O-N 2.71Å; L251-N254 VanDerWaalsContact O-N 3.08Å; L251-I257 HydrophobicContact CB-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 3.44Å; L251-I257 VanDerWaalsContact CD2-CD1 3.44Å; L251-I257 HydrophobicContact CD2-CG2 3.98Å |
| 252 | S | 81.1 | Confident | 81.2 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.5 | -28.4 | 178.3 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | A248 Y249 | A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 2.93Å; Y249-S252 PolarHBondContact O-N 3.37Å; Y249-S252 PolarHBondContact O-OG 2.82Å |
| 253 | K | 80.6 | Confident | 79.8 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.7 | -27.1 | 176.3 | -72.9 | -178.9 | 178.7 | 177.1 | 0 | 113 | Y249 Q250 L251 R255 | Y249-K253 HydrophobicContact CE1-CD 4.38Å; Y249-K253 PolarHBondContact O-N 3.28Å; Y249-K253 WeakPolarHBondContact OH-CE 3.46Å; Y249-K253 PolarHBondContact OH-NZ 3.36Å; Q250-K253 PolarHBondContact O-N 2.93Å; L251-K253 PolarHBondContact O-N 3.47Å; K253-R255 PolarHBondContact O-N 2.83Å |
| 254 | N | 81.2 | Confident | 78 | Confident | 95 Ų | 95 | 114.5 Ų | 114.5 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | -82.2 | 112.8 | -177.9 | -87.6 | -27.2 | 0 | 0 | 0 | 110.5 | L251 N256 I257 | L251-N254 PolarHBondContact O-N 2.71Å; L251-N254 VanDerWaalsContact O-N 3.08Å; N254-N256 PolarHBondContact O-N 2.78Å; N254-I257 HydrophobicContact CB-CB 4.37Å; N254-I257 HydrophobicContact CB-CD1 3.84Å; N254-I257 HydrophobicContact CB-CG1 4.01Å; N254-I257 PolarHBondContact O-N 3.02Å; N254-I257 VanDerWaalsContact O-N 3.09Å | ||
| 255 | R | 74 | Confident | 76.4 | Confident | 249 Ų | 249 | 121 Ų | 121 | 94% | 0.94 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -18.8 | 178.1 | -65.1 | -179.4 | 179 | -120.6 | 0 | 114.2 | K253 | K253-R255 PolarHBondContact O-N 2.83Š|
| 256 | N | 76.4 | Confident | 74.9 | Confident | 162 Ų | 162 | 118.6 Ų | 118.6 | 87% | 0.866 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 0.5 | -178.8 | -103.7 | 24.5 | 0 | 0 | 0 | 114.2 | N254 | N254-N256 PolarHBondContact O-N 2.78Š|
| 257 | I | 72.2 | Confident | 73.3 | Confident | 78 Ų | 78 | 121.8 Ų | 121.8 | 40% | 0.4 | 63% | 0.628 | S | S | . | * | trans | -117 | 116 | -175.6 | -58.1 | 178.6 | 0 | 0 | 0 | 108.7 | L251 N254 | L251-I257 HydrophobicContact CB-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 3.44Å; L251-I257 VanDerWaalsContact CD2-CD1 3.44Å; L251-I257 HydrophobicContact CD2-CG2 3.98Å; N254-I257 HydrophobicContact CB-CB 4.37Å; N254-I257 HydrophobicContact CB-CD1 3.84Å; N254-I257 HydrophobicContact CB-CG1 4.01Å; N254-I257 PolarHBondContact O-N 3.02Å; N254-I257 VanDerWaalsContact O-N 3.09Å | ||
| 258 | T | 72.5 | Confident | 71.7 | Confident | 117 Ų | 117 | 122.5 Ų | 122.5 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | trans | -111.3 | 125 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 107.8 | I260 | T258-I260 PolarHBondContact O-N 3.4Š| ||
| 259 | Y | 67.6 | Low | 70.4 | Confident | 198 Ų | 198 | 127.3 Ų | 127.3 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -70.4 | 120.7 | 175.6 | 178.6 | -100.7 | 0 | 0 | 0 | 109.8 | P261 | Y259-P261 HydrophobicContact CE1-CB 4.17Š| ||
| 260 | I | 70.4 | Confident | 69.1 | Low | 86 Ų | 86 | 127.8 Ų | 127.8 | 44% | 0.441 | 66% | 0.66 | S | S | . | * | trans | -109.7 | 115.4 | 173.5 | -54 | 175.5 | 0 | 0 | 0 | 106.5 | T258 L268 | T258-I260 PolarHBondContact O-N 3.4Å; I260-L268 HydrophobicContact CD1-CD1 3.56Å | ||
| 261 | P | 70.9 | Confident | 67.6 | Low | 57 Ų | 57 | 127.8 Ų | 127.8 | 37% | 0.37 | 67% | 0.671 | S | S | . | * | trans | -63 | 139.6 | 176 | 25.1 | -31.6 | 0 | 0 | 0 | 110.6 | Y259 G263 | Y259-P261 HydrophobicContact CE1-CB 4.17Å; P261-G263 PolarHBondContact O-N 2.82Å | ||
| 262 | D | 62.4 | Low | 65.8 | Low | 176 Ų | 176 | 128.9 Ų | 128.9 | 94% | 0.941 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 132.7 | 177.6 | -171.9 | 26.1 | 0 | 0 | 0 | 110.5 | ||
| 263 | G | 65.4 | Low | 64.2 | Low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.8 | 2.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | P261 | P261-G263 PolarHBondContact O-N 2.82Š|
| 264 | Q | 56.7 | Low | 62.5 | Low | 134 Ų | 134 | 136.5 Ų | 136.5 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | -105 | 110.6 | 174.3 | -123.4 | 174.2 | 11.1 | 0 | 0 | 111.8 | T266 | Q264-T266 PolarHBondContact O-N 3.47Å; Q264-T266 PolarHBondContact O-OG1 2.88Å | ||
| 265 | H | 56.8 | Low | 61.5 | Low | 194 Ų | 194 | 138.6 Ų | 138.6 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -69 | 54 | 174.4 | -78.7 | -85.2 | 0 | 0 | 0 | 112.6 | L267 | H265-L267 PolarHBondContact O-N 2.97Š| ||
| 266 | T | 60.6 | Low | 60.9 | Low | 86 Ų | 86 | 132.8 Ų | 132.8 | 53% | 0.528 | 74% | 0.736 | S | S | . | * | trans | -81.2 | 104.5 | 178.9 | -23.1 | 0 | 0 | 0 | 0 | 108.7 | Q264 L268 | Q264-T266 PolarHBondContact O-N 3.47Å; Q264-T266 PolarHBondContact O-OG1 2.88Å; T266-L268 PolarHBondContact O-N 3.3Å | ||
| 267 | L | 56.9 | Low | 60 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | trans | -61.8 | 93.4 | 176.8 | -71.6 | 163.1 | 0 | 0 | 0 | 110.4 | H265 N269 | H265-L267 PolarHBondContact O-N 2.97Å; L267-N269 PolarHBondContact O-N 2.83Å; L267-N269 VanDerWaalsContact O-N 3.13Å | ||
| 268 | L | 56.6 | Low | 59.3 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 102.6 | 168.2 | -98.5 | 116.9 | 0 | 0 | 0 | 109 | I260 T266 L270 | I260-L268 HydrophobicContact CD1-CD1 3.56Å; T266-L268 PolarHBondContact O-N 3.3Å; L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.34Å | ||
| 269 | N | 59 | Low | 58.5 | Low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -70.4 | 88.9 | 167.3 | -172.1 | 23.8 | 0 | 0 | 0 | 108.7 | L267 P271 | L267-N269 PolarHBondContact O-N 2.83Å; L267-N269 VanDerWaalsContact O-N 3.13Å; N269-P271 WeakPolarHBondContact O-CD 3.28Å | ||
| 270 | L | 58.9 | Low | 57.9 | Low | 135 Ų | 135 | 131.2 Ų | 131.2 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.2 | 173.9 | -71.4 | 159.2 | 0 | 0 | 0 | 108.6 | L268 A272 | L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.34Å; L270-A272 PolarHBondContact O-N 3.05Å |
| 271 | P | 55.3 | Low | 57 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.7 | 170.9 | 25.5 | -30.3 | 0 | 0 | 0 | 108.7 | N269 A273 | N269-P271 WeakPolarHBondContact O-CD 3.28Å; P271-A273 PolarHBondContact O-N 3.5Å |
| 272 | A | 47.2 | Very low | 55.9 | Low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L270 Q274 | L270-A272 PolarHBondContact O-N 3.05Å; A272-Q274 PolarHBondContact O-N 3.01Å |
| 273 | A | 46.7 | Very low | 55.4 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P271 | P271-A273 PolarHBondContact O-N 3.5Š|
| 274 | Q | 44.2 | Very low | 54.4 | Low | 266 Ų | 266 | 143.7 Ų | 143.7 | 100% | 1.243 | 80% | 0.798 | S | S | * | * | trans | -62 | 0 | 170.6 | -67.3 | -179.5 | -1.8 | 0 | 0 | 110.9 | A272 | A272-Q274 PolarHBondContact O-N 3.01Š|
Retrieved 274 of 274 residues in 581.3 ms
(Link to these results)