| 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 | 50.4 | Low | 59.4 | Low | 238 Ų | 238 | 132.4 Ų | 132.4 | 100% | 1.172 | 69% | 0.688 | S | S | * | * | 0 | 36.1 | 0 | -129.6 | 166.9 | 100.5 | 0 | 0 | 113.1 | |||||
| 2 | W | 50.5 | Low | 60.4 | Low | 247 Ų | 247 | 129.4 Ų | 129.4 | 94% | 0.936 | 67% | 0.673 | S | S | * | * | trans | -132.6 | 6.1 | -175.3 | -82.8 | 63.1 | 0 | 0 | 0 | 114.5 | ||||
| 3 | S | 53.6 | Low | 61.4 | Low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -103.8 | -20 | -174.6 | -164.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 4 | L | 52.1 | Low | 62 | Low | 155 Ų | 155 | 129.7 Ų | 129.7 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.6 | -24.5 | -178.7 | -88.2 | 143.3 | 0 | 0 | 0 | 113 | ||
| 5 | N | 56 | Low | 62.7 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82 | -20.7 | -175.7 | -141.7 | 15.1 | 0 | 0 | 0 | 113.2 | Y9 | N5-Y9 PolarHBondContact O-N 3.47Å |
| 6 | S | 57.1 | Low | 63.3 | Low | 77 Ų | 77 | 130.7 Ų | 130.7 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -77.4 | -41.6 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 112 | I8 Y9 V10 | S6-I8 PolarHBondContact O-N 2.87Å; S6-Y9 PolarHBondContact O-N 3.38Å; S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 2.91Å |
| 7 | G | 59.3 | Low | 63.8 | Low | 38 Ų | 38 | 127.8 Ų | 127.8 | 39% | 0.392 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V10 L11 | G7-V10 PolarHBondContact O-N 3.48Å; G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 WeakPolarHBondContact O-CG 3.42Å; G7-L11 PolarHBondContact O-N 3.02Å |
| 8 | I | 67.3 | Low | 63.9 | Low | 103 Ų | 103 | 124.2 Ų | 124.2 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.3 | -41.1 | 176.2 | -63.1 | 167.9 | 0 | 0 | 0 | 110.4 | S6 V10 L11 L12 | S6-I8 PolarHBondContact O-N 2.87Å; I8-V10 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.17Å; I8-L12 WeakPolarHBondContact O-CB 3.3Å; I8-L12 PolarHBondContact O-N 3.23Å |
| 9 | Y | 66.4 | Low | 64 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.3 | -39.5 | 177.9 | -121 | -90.2 | 0 | 0 | 0 | 112.6 | N5 S6 R13 | N5-Y9 PolarHBondContact O-N 3.47Å; S6-Y9 PolarHBondContact O-N 3.38Å; Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.34Å |
| 10 | V | 69.9 | Low | 63.9 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.4 | -43.2 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | S6 G7 I8 R13 T14 | S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 2.91Å; G7-V10 PolarHBondContact O-N 3.48Å; I8-V10 PolarHBondContact O-N 2.91Å; V10-R13 PolarHBondContact O-N 3.21Å; V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.38Å; V10-T14 PolarHBondContact O-N 2.9Å; V10-T14 PolarHBondContact O-OG1 3.48Å; V10-T14 VanDerWaalsContact O-OG1 3.08Å |
| 11 | L | 70.6 | Confident | 63.7 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -38.3 | 176.4 | -74.2 | 168.1 | 0 | 0 | 0 | 112.6 | G7 I8 T14 W15 | G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 WeakPolarHBondContact O-CG 3.42Å; G7-L11 PolarHBondContact O-N 3.02Å; I8-L11 PolarHBondContact O-N 3.17Å; L11-T14 WeakPolarHBondContact CA-OG1 3.3Å; L11-T14 PolarHBondContact O-OG1 3.44Å; L11-W15 VanDerWaalsContact O-CB 3.24Å; L11-W15 WeakPolarHBondContact O-CB 3.46Å; L11-W15 PolarHBondContact O-N 2.89Å |
| 12 | L | 72.1 | Confident | 63.9 | Low | 97 Ų | 97 | 113 Ų | 113 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -38.5 | 176.5 | -145.2 | 85.2 | 0 | 0 | 0 | 111.2 | I8 L16 | I8-L12 WeakPolarHBondContact O-CB 3.3Å; I8-L12 PolarHBondContact O-N 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.19Å; L12-L16 PolarHBondContact O-N 3.08Å |
| 13 | R | 72.4 | Confident | 64.1 | Low | 190 Ų | 190 | 108.8 Ų | 108.8 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -44.7 | 175.8 | -113.4 | -173.9 | 172 | -153.5 | -1.4 | 112.2 | Y9 V10 W15 L16 V17 | Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.34Å; V10-R13 PolarHBondContact O-N 3.21Å; R13-W15 VanDerWaalsContact C-N 3.31Å; R13-L16 PolarHBondContact O-N 3.03Å; R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.4Å; R13-V17 PolarHBondContact O-N 3.5Å |
| 14 | T | 70.3 | Confident | 64.1 | Low | 73 Ų | 73 | 107.6 Ų | 107.6 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | V10 L11 V17 C18 | V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.38Å; V10-T14 PolarHBondContact O-N 2.9Å; V10-T14 PolarHBondContact O-OG1 3.48Å; V10-T14 VanDerWaalsContact O-OG1 3.08Å; L11-T14 WeakPolarHBondContact CA-OG1 3.3Å; L11-T14 PolarHBondContact O-OG1 3.44Å; T14-V17 PolarHBondContact O-N 3.16Å; T14-C18 WeakPolarHBondContact O-CB 3.45Å; T14-C18 PolarHBondContact O-N 3.21Å; T14-C18 PolarHBondContact O-SG 3.32Å |
| 15 | W | 72.7 | Confident | 64.1 | Low | 170 Ų | 170 | 107 Ų | 107 | 64% | 0.644 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.4 | -44.6 | 173.7 | -171.4 | 61.6 | 0 | 0 | 0 | 112.4 | L11 R13 V17 C18 V19 | L11-W15 VanDerWaalsContact O-CB 3.24Å; L11-W15 WeakPolarHBondContact O-CB 3.46Å; L11-W15 PolarHBondContact O-N 2.89Å; R13-W15 VanDerWaalsContact C-N 3.31Å; W15-V17 PolarHBondContact O-N 2.95Å; W15-C18 PolarHBondContact O-N 2.89Å; W15-V19 HydrophobicContact CD2-CG2 4.22Å; W15-V19 HydrophobicContact CG-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CB 3.32Å; W15-V19 WeakPolarHBondContact O-CG2 3.32Å; W15-V19 PolarHBondContact O-N 2.9Å |
| 16 | L | 72.3 | Confident | 63.9 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -41.1 | 174.3 | -88.1 | 156.5 | 0 | 0 | 0 | 112.7 | L12 R13 S20 | L12-L16 WeakPolarHBondContact O-CB 3.19Å; L12-L16 PolarHBondContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.03Å; L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.05Å; L16-S20 PolarHBondContact O-OG 2.87Å |
| 17 | V | 71.1 | Confident | 63.7 | Low | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.6 | -45 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | R13 T14 W15 S20 L21 | R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.4Å; R13-V17 PolarHBondContact O-N 3.5Å; T14-V17 PolarHBondContact O-N 3.16Å; W15-V17 PolarHBondContact O-N 2.95Å; V17-S20 WeakPolarHBondContact CA-OG 3.49Å; V17-S20 PolarHBondContact O-N 2.53Å; V17-S20 PolarHBondContact O-OG 3.43Å; V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 PolarHBondContact O-N 2.87Å |
| 18 | C | 66.4 | Low | 63.5 | Low | 62 Ų | 62 | 110.7 Ų | 110.7 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.9 | -44.8 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | T14 W15 S20 L21 F22 | T14-C18 WeakPolarHBondContact O-CB 3.45Å; T14-C18 PolarHBondContact O-N 3.21Å; T14-C18 PolarHBondContact O-SG 3.32Å; W15-C18 PolarHBondContact O-N 2.89Å; C18-S20 VanDerWaalsContact C-N 3.31Å; C18-S20 PolarHBondContact O-N 3.28Å; C18-L21 PolarHBondContact O-N 3.5Å; C18-F22 WeakPolarHBondContact O-CD2 3.4Å; C18-F22 PolarHBondContact O-N 2.87Å |
| 19 | V | 66 | Low | 62.8 | Low | 50 Ų | 50 | 108.9 Ų | 108.9 | 30% | 0.303 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.3 | -39.3 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | W15 F22 F23 | W15-V19 HydrophobicContact CD2-CG2 4.22Å; W15-V19 HydrophobicContact CG-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CB 3.32Å; W15-V19 WeakPolarHBondContact O-CG2 3.32Å; W15-V19 PolarHBondContact O-N 2.9Å; V19-F22 PolarHBondContact O-N 2.93Å; V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.47Å; V19-F23 PolarHBondContact O-N 2.98Å |
| 20 | S | 62 | Low | 62 | Low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 175.7 | 72.9 | 0 | 0 | 0 | 0 | 113 | L16 V17 C18 F23 S24 | L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.05Å; L16-S20 PolarHBondContact O-OG 2.87Å; V17-S20 WeakPolarHBondContact CA-OG 3.49Å; V17-S20 PolarHBondContact O-N 2.53Å; V17-S20 PolarHBondContact O-OG 3.43Å; C18-S20 VanDerWaalsContact C-N 3.31Å; C18-S20 PolarHBondContact O-N 3.28Å; S20-F23 PolarHBondContact O-N 2.99Å; S20-S24 PolarHBondContact O-N 3.47Å; S20-S24 PolarHBondContact O-OG 3.28Å; S20-S24 VanDerWaalsContact O-OG 3.11Å |
| 21 | L | 58.5 | Low | 61.3 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 173.6 | -78.9 | 161.8 | 0 | 0 | 0 | 111.5 | V17 C18 F23 S24 L25 | V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 PolarHBondContact O-N 2.87Å; C18-L21 PolarHBondContact O-N 3.5Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-OG 3.06Å; L21-L25 WeakPolarHBondContact O-CD1 3.44Å; L21-L25 PolarHBondContact O-N 3.45Å |
| 22 | F | 56.1 | Low | 60.4 | Low | 162 Ų | 162 | 118.1 Ų | 118.1 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.7 | -35.2 | 175.4 | -83.6 | -69.7 | 0 | 0 | 0 | 112.7 | C18 V19 | C18-F22 WeakPolarHBondContact O-CD2 3.4Å; C18-F22 PolarHBondContact O-N 2.87Å; V19-F22 PolarHBondContact O-N 2.93Å |
| 23 | F | 54.1 | Low | 59.5 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 70% | 0.697 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.7 | -34.7 | 174.1 | -97.6 | -86.5 | 0 | 0 | 0 | 112.8 | V19 S20 L21 L25 G26 | V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.47Å; V19-F23 PolarHBondContact O-N 2.98Å; S20-F23 PolarHBondContact O-N 2.99Å; L21-F23 PolarHBondContact O-N 2.97Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3.32Å; F23-G26 PolarHBondContact O-N 3.25Å |
| 24 | S | 52.5 | Low | 58.2 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.6 | -20.3 | 177.5 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | S20 L21 | S20-S24 PolarHBondContact O-N 3.47Å; S20-S24 PolarHBondContact O-OG 3.28Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-OG 3.06Å |
| 25 | L | 53.1 | Low | 57.6 | Low | 142 Ų | 142 | 120.8 Ų | 120.8 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -8.9 | 173.1 | -90.8 | 118 | 0 | 0 | 0 | 113.8 | L21 F23 | L21-L25 WeakPolarHBondContact O-CD1 3.44Å; L21-L25 PolarHBondContact O-N 3.45Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3.32Å |
| 26 | G | 52.7 | Low | 56.3 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -89.9 | -3.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | F23 | F23-G26 PolarHBondContact O-N 3.25Š|
| 27 | L | 52.7 | Low | 55 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 83% | 0.827 | 66% | 0.657 | S | S | * | * | trans | -122.4 | 33 | -175 | -72.9 | 168.1 | 0 | 0 | 0 | 113.3 | G29 | L27-G29 PolarHBondContact O-N 3.18Š| ||
| 28 | A | 53.9 | Low | 53.6 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | trans | -76.3 | 77.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | K30 | A28-K30 PolarHBondContact O-N 2.85Š| ||
| 29 | G | 52.2 | Low | 52.6 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -51.5 | 128 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | L27 M31 | L27-G29 PolarHBondContact O-N 3.18Å; G29-M31 VanDerWaalsContact C-N 3.26Å; G29-M31 PolarHBondContact O-N 3.18Å | ||
| 30 | K | 50.2 | Low | 52 | Low | 210 Ų | 210 | 123.3 Ų | 123.3 | 91% | 0.913 | 67% | 0.67 | S | S | * | * | trans | -58.2 | 95.7 | 171.6 | -77.4 | -173.4 | 175.5 | 175.7 | 0 | 107.6 | A28 K32 | A28-K30 PolarHBondContact O-N 2.85Å; K30-K32 PolarHBondContact O-N 2.94Å | ||
| 31 | M | 55.4 | Low | 51.3 | Low | 176 Ų | 176 | 122.4 Ų | 122.4 | 87% | 0.867 | 67% | 0.671 | S | S | * | * | trans | -71.5 | 89.2 | 168.6 | -154.4 | 167.1 | 116.9 | 0 | 0 | 105.3 | G29 I33 | G29-M31 VanDerWaalsContact C-N 3.26Å; G29-M31 PolarHBondContact O-N 3.18Å; M31-I33 PolarHBondContact O-N 3.34Å; M31-I33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | K | 51.3 | Low | 50.8 | Low | 178 Ų | 178 | 123.9 Ų | 123.9 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | trans | -62.2 | 112.1 | 164.1 | -169 | 179.7 | -179.1 | -176.7 | 0 | 104 | K30 V34 | K30-K32 PolarHBondContact O-N 2.94Å; K32-V34 PolarHBondContact O-N 2.98Å | ||
| 33 | I | 53.7 | Low | 50.2 | Low | 132 Ų | 132 | 123.7 Ų | 123.7 | 68% | 0.677 | 69% | 0.685 | S | S | * | * | trans | -47.4 | 116.3 | 161.6 | -82.3 | 152.3 | 0 | 0 | 0 | 104.8 | M31 E35 | M31-I33 PolarHBondContact O-N 3.34Å; M31-I33 VanDerWaalsContact O-N 3.08Å; I33-E35 HydrophobicContact CG2-CG 4.33Å; I33-E35 PolarHBondContact O-N 3.06Å | ||
| 34 | V | 44.9 | Very low | 49.9 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | trans | -67.4 | 88.5 | 167.4 | 177 | 0 | 0 | 0 | 0 | 103.3 | K32 E36 | K32-V34 PolarHBondContact O-N 2.98Å; V34-E36 PolarHBondContact O-N 3.05Å | ||
| 35 | E | 58.1 | Low | 49.9 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -49.2 | 131.4 | 157.4 | -76.4 | 177.3 | 156 | 0 | 0 | 105.8 | I33 P37 | I33-E35 HydrophobicContact CG2-CG 4.33Å; I33-E35 PolarHBondContact O-N 3.06Å; E35-P37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | E | 44.4 | Very low | 49.6 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | trans | -40.1 | 126.5 | 176.7 | -67.6 | 177.9 | 167.3 | 0 | 0 | 108.4 | V34 N38 | V34-E36 PolarHBondContact O-N 3.05Å; E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.26Å | ||
| 37 | P | 45.5 | Very low | 49.2 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 101.7 | -178.5 | 25.1 | -30.2 | 0 | 0 | 0 | 107 | E35 F100 | E35-P37 VanDerWaalsContact O-N 3.16Å; P37-F100 HydrophobicContact CB-CE1 4.28Å; P37-F100 HydrophobicContact CB-CZ 4.1Å |
| 38 | N | 42.5 | Very low | 48.5 | Very low | 61 Ų | 61 | 123.8 Ų | 123.8 | 33% | 0.326 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.2 | 71.3 | 172.6 | -46.7 | -24 | 0 | 0 | 0 | 117.6 | E36 F40 F100 | E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.26Å; N38-F40 HydrophobicContact CB-CD2 3.65Å; N38-F40 HydrophobicContact CB-CE2 3.75Å; N38-F40 PolarHBondContact O-N 3Å; N38-F100 WeakPolarHBondContact ND2-CD1 3.48Å; N38-F100 WeakPolarHBondContact ND2-CE1 2.85Å |
| 39 | T | 45.4 | Very low | 48.1 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | trans | -76.7 | 83.3 | 133.2 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | G41 | T39-G41 PolarHBondContact O-N 2.82Š| ||
| 40 | F | 51.8 | Low | 47.6 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | -58.9 | 103.2 | 163.7 | -84.5 | -79 | 0 | 0 | 0 | 108.2 | N38 | N38-F40 HydrophobicContact CB-CD2 3.65Å; N38-F40 HydrophobicContact CB-CE2 3.75Å; N38-F40 PolarHBondContact O-N 3Å | ||
| 41 | G | 49.3 | Very low | 47.8 | Very low | 49 Ų | 49 | 126.1 Ų | 126.1 | 51% | 0.505 | 69% | 0.685 | S | S | . | * | S | Bend | trans | 100.6 | 6.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | T39 | T39-G41 PolarHBondContact O-N 2.82Š|
| 42 | L | 47 | Very low | 48.4 | Very low | 125 Ų | 125 | 127 Ų | 127 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -92.9 | -13.6 | -177.3 | -81.5 | 165.8 | 0 | 0 | 0 | 116.3 | ||
| 43 | N | 42.8 | Very low | 50 | Low | 159 Ų | 159 | 120.4 Ų | 120.4 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -141 | 23.2 | -178.5 | -78.6 | -41.9 | 0 | 0 | 0 | 115.6 | ||
| 44 | N | 47.8 | Very low | 51.6 | Low | 85 Ų | 85 | 120.8 Ų | 120.8 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | trans | -105.8 | 109.7 | 173.5 | -163.9 | 14.7 | 0 | 0 | 0 | 110.6 | F46 M47 | N44-F46 PolarHBondContact O-N 3.41Å; N44-M47 HydrophobicContact CB-CB 4.35Å; N44-M47 HydrophobicContact CB-CG 4.42Å; N44-M47 PolarHBondContact O-N 3Å | ||
| 45 | P | 54.1 | Low | 53.7 | Low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -3 | -179.9 | 24.8 | -30.5 | 0 | 0 | 0 | 113.8 | ||
| 46 | F | 46 | Very low | 55.2 | Low | 193 Ų | 193 | 114.3 Ų | 114.3 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 4.5 | -179.2 | -80.5 | -84.1 | 0 | 0 | 0 | 115 | N44 | N44-F46 PolarHBondContact O-N 3.41Š|
| 47 | M | 43.1 | Very low | 57.5 | Low | 117 Ų | 117 | 110.5 Ų | 110.5 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -93.6 | 128.4 | 168.7 | -86.5 | -177.1 | 169.7 | 0 | 0 | 110.2 | N44 Q49 | N44-M47 HydrophobicContact CB-CB 4.35Å; N44-M47 HydrophobicContact CB-CG 4.42Å; N44-M47 PolarHBondContact O-N 3Å; M47-Q49 PolarHBondContact O-N 3.21Å |
| 48 | A | 39.2 | Very low | 59.8 | Low | 94 Ų | 94 | 110.8 Ų | 110.8 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | trans | -48.3 | 134.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G50 | A48-G50 PolarHBondContact O-N 3.22Š| ||
| 49 | Q | 44.8 | Very low | 62.4 | Low | 192 Ų | 192 | 109.6 Ų | 109.6 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -60.2 | 14.4 | 176.5 | -66.6 | 174 | -31.9 | 0 | 0 | 114.6 | M47 | M47-Q49 PolarHBondContact O-N 3.21Š|
| 50 | G | 41.3 | Very low | 64.8 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -83.3 | -7.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A48 | A48-G50 PolarHBondContact O-N 3.22Š|
| 51 | N | 54.7 | Low | 66.9 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -108.1 | 7.5 | -179.2 | -83.2 | 14.2 | 0 | 0 | 0 | 114.3 | L53 | N51-L53 PolarHBondContact O-N 2.93Š|
| 52 | R | 68.1 | Low | 69.1 | Low | 193 Ų | 193 | 105.6 Ų | 105.6 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -74.6 | 118 | 173.7 | -171 | 172.4 | -176.5 | 166.6 | 1.2 | 108.3 | Q54 | R52-Q54 PolarHBondContact O-N 3.46Å; R52-Q54 PolarHBondContact O-NE2 3.13Å |
| 53 | L | 84.9 | Confident | 71.4 | Confident | 41 Ų | 41 | 100.4 Ų | 100.4 | 22% | 0.215 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -49.3 | 124 | 173.4 | -65.3 | 174.9 | 0 | 0 | 0 | 109.4 | N51 T94 S106 I108 | N51-L53 PolarHBondContact O-N 2.93Å; L53-T94 HydrophobicContact CD1-CG2 3.83Å; L53-S106 WeakPolarHBondContact CD2-O 3.26Å; L53-I108 HydrophobicContact CB-CD1 4.06Å; L53-I108 HydrophobicContact CB-CG1 3.92Å; L53-I108 HydrophobicContact CD1-CG1 4.07Å |
| 54 | Q | 87.1 | Confident | 73.9 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -98.3 | 116.5 | 179.9 | -62.7 | -57.1 | -42.9 | 0 | 0 | 108.7 | R52 | R52-Q54 PolarHBondContact O-N 3.46Å; R52-Q54 PolarHBondContact O-NE2 3.13Å |
| 55 | P | 90.3 | Very high | 76.2 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 31% | 0.312 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 141.6 | 176.6 | 29.2 | -33.4 | 0 | 0 | 0 | 110.3 | V57 I108 I111 | P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 WeakPolarHBondContact CB-O 3.34Å; P55-V57 PolarHBondContact O-N 3.49Å; P55-I108 HydrophobicContact CB-CD1 3.94Å; P55-I111 HydrophobicContact CB-CD1 3.56Å; P55-I111 HydrophobicContact CB-CG1 4.22Å |
| 56 | K | 89.8 | Confident | 78.2 | Confident | 102 Ų | 102 | 87.3 Ų | 87.3 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -67.1 | -30.7 | 176.7 | -67.2 | 174.6 | -179 | 164 | 0 | 112.5 | G130 T132 N137 | K56-G130 PolarHBondContact NZ-O 3.29Å; K56-T132 VanDerWaalsContact NZ-N 3.15Å; K56-T132 PolarHBondContact NZ-OG1 3.27Å; K56-N137 PolarHBondContact NZ-OD1 2.7Å |
| 57 | V | 92.8 | Very high | 80.5 | Confident | 55 Ų | 55 | 81.6 Ų | 81.6 | 33% | 0.333 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -133.2 | 151.4 | -178.8 | -64 | 0 | 0 | 0 | 0 | 109.9 | P55 I111 D129 | P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 WeakPolarHBondContact CB-O 3.34Å; P55-V57 PolarHBondContact O-N 3.49Å; V57-I111 HydrophobicContact CG2-CB 4.5Å; V57-I111 HydrophobicContact CG2-CD1 3.69Å; V57-I111 HydrophobicContact CG2-CG2 4.4Å; V57-D129 HydrophobicContact CG2-CB 3.63Å |
| 58 | S | 93.9 | Very high | 83.1 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 69% | 0.685 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 144.1 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 59 | P | 96 | Very high | 85.9 | Confident | 37 Ų | 37 | 75 Ų | 75 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 151.3 | 171.5 | 29.8 | -36.7 | 0 | 0 | 0 | 110.9 | I111 W112 | P59-I111 HydrophobicContact CB-CG2 3.87Å; P59-W112 WeakPolarHBondContact CA-O 3.15Å; P59-W112 HydrophobicContact CB-CB 4.12Å |
| 60 | A | 95.8 | Very high | 88.3 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -59 | 157.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | W112 Q113 | A60-W112 PolarHBondContact N-O 3.07Å; A60-Q113 VanDerWaalsContact CB-O 3.27Å; A60-Q113 WeakPolarHBondContact CB-O 3.33Å |
| 61 | P | 95.6 | Very high | 90.9 | Very high | 111 Ų | 111 | 70.8 Ų | 70.8 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 153.1 | 171.4 | -24.4 | 34.8 | 0 | 0 | 0 | 112 | S63 W112 | P61-S63 PolarHBondContact O-N 3.47Å; P61-W112 PolarHBondContact O-NE1 3.2Å; P61-W112 VanDerWaalsContact O-NE1 3.1Å |
| 62 | V | 96.1 | Very high | 93 | Very high | 66 Ų | 66 | 65 Ų | 65 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 119.3 | 172.8 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | H69 A72 F90 | V62-H69 HydrophobicContact CG1-CB 4.29Å; V62-A72 HydrophobicContact CG2-CB 4.14Å; V62-F90 HydrophobicContact CB-CD1 4.48Å; V62-F90 HydrophobicContact CB-CG 4.43Å; V62-F90 HydrophobicContact CG1-CD1 3.96Å; V62-F90 HydrophobicContact CG1-CD2 4.09Å; V62-F90 HydrophobicContact CG1-CE1 4.14Å; V62-F90 HydrophobicContact CG1-CE2 4.28Å; V62-F90 HydrophobicContact CG1-CG 3.92Å; V62-F90 HydrophobicContact CG1-CZ 4.3Å; V62-F90 HydrophobicContact CG2-CB 3.84Å; V62-F90 HydrophobicContact CG2-CG 4.16Å |
| 63 | S | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | trans | -139.6 | 168.4 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | P61 F90 W115 G221 | P61-S63 PolarHBondContact O-N 3.47Å; S63-F90 WeakPolarHBondContact O-CE1 3.28Å; S63-W115 PolarHBondContact O-NE1 3.03Å; S63-G221 VanDerWaalsContact CB-O 3.3Å; S63-G221 WeakPolarHBondContact CB-O 3.37Å; S63-G221 PolarHBondContact OG-O 3.49Å | ||
| 64 | G | 95.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 97.7 | -150.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A66 H69 L222 | G64-A66 PolarHBondContact O-N 3.21Å; G64-H69 PolarHBondContact O-NE2 2.96Å; G64-L222 VanDerWaalsContact CA-CD2 3.44Å |
| 65 | P | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -63.6 | 120.1 | -173.4 | -17.6 | 26.8 | 0 | 0 | 0 | 113 | H67 L68 H69 F122 T183 | P65-H67 WeakPolarHBondContact CB-CE1 3.35Å; P65-H67 PolarHBondContact O-N 3.43Å; P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 HydrophobicContact CB-CG 4.23Å; P65-L68 HydrophobicContact CG-CD1 3.96Å; P65-L68 WeakPolarHBondContact O-CB 3.38Å; P65-L68 PolarHBondContact O-N 3.31Å; P65-H69 PolarHBondContact O-CD2 3.09Å; P65-F122 HydrophobicContact CG-CD2 3.65Å; P65-F122 HydrophobicContact CG-CE2 3.6Å; P65-F122 HydrophobicContact CG-CG 4.44Å; P65-F122 HydrophobicContact CG-CZ 4.35Å; P65-T183 HydrophobicContact CB-CG2 3.92Å; P65-T183 HydrophobicContact CG-CG2 3.96Å | ||
| 66 | A | 95.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -55 | -33.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G64 L68 H69 | G64-A66 PolarHBondContact O-N 3.21Å; A66-L68 PolarHBondContact O-N 3.11Å; A66-H69 VanDerWaalsContact O-CB 3.32Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.35Å; A66-H69 VanDerWaalsContact O-N 3.14Å |
| 67 | H | 95.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -67.1 | -20.9 | 178.3 | 62.5 | -89.2 | 0 | 0 | 0 | 113.3 | P65 R70 L171 S177 | P65-H67 WeakPolarHBondContact CB-CE1 3.35Å; P65-H67 PolarHBondContact O-N 3.43Å; H67-R70 WeakPolarHBondContact O-CD 3.36Å; H67-R70 VanDerWaalsContact O-CG 3.3Å; H67-R70 WeakPolarHBondContact O-CG 3.27Å; H67-L171 PolarHBondContact CD2-O 2.89Å; H67-L171 PolarHBondContact NE2-O 3.41Å; H67-S177 PolarHBondContact CE1-O 3.02Å |
| 68 | L | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -81.4 | -19.6 | 174.2 | -62.7 | 179.5 | 0 | 0 | 0 | 112.6 | P65 A66 R70 L71 F90 W115 L144 L171 V172 | P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 HydrophobicContact CB-CG 4.23Å; P65-L68 HydrophobicContact CG-CD1 3.96Å; P65-L68 WeakPolarHBondContact O-CB 3.38Å; P65-L68 PolarHBondContact O-N 3.31Å; A66-L68 PolarHBondContact O-N 3.11Å; L68-R70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 VanDerWaalsContact O-CB 3.26Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-F90 HydrophobicContact CB-CE2 4.38Å; L68-F90 HydrophobicContact CB-CZ 4.06Å; L68-F90 WeakPolarHBondContact O-CE2 3.48Å; L68-W115 HydrophobicContact CD1-CH2 3.66Å; L68-W115 HydrophobicContact CD1-CZ2 4.34Å; L68-W115 HydrophobicContact CD1-CZ3 4.5Å; L68-L144 HydrophobicContact CD1-CD1 3.89Å; L68-L171 HydrophobicContact CD2-CB 3.71Å; L68-L171 HydrophobicContact CD2-CD1 4.16Å; L68-V172 HydrophobicContact CD2-CG1 3.97Å |
| 69 | H | 96.8 | Very high | 96.2 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58.1 | -25.5 | -178.5 | -62.8 | -176.4 | 0 | 0 | 0 | 112.6 | V62 G64 P65 A66 L71 A72 | V62-H69 HydrophobicContact CG1-CB 4.29Å; G64-H69 PolarHBondContact O-NE2 2.96Å; P65-H69 PolarHBondContact O-CD2 3.09Å; A66-H69 VanDerWaalsContact O-CB 3.32Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.35Å; A66-H69 VanDerWaalsContact O-N 3.14Å; H69-L71 PolarHBondContact O-N 3.06Å; H69-L71 VanDerWaalsContact O-N 3.13Å; H69-A72 WeakPolarHBondContact O-CB 3.08Å; H69-A72 PolarHBondContact O-N 3.32Å |
| 70 | R | 96.2 | Very high | 96 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -65.4 | -10.6 | 174.6 | 74.1 | -172.5 | -65.3 | -167.1 | 0.6 | 115 | H67 L68 K74 L171 | H67-R70 WeakPolarHBondContact O-CD 3.36Å; H67-R70 VanDerWaalsContact O-CG 3.3Å; H67-R70 WeakPolarHBondContact O-CG 3.27Å; L68-R70 PolarHBondContact O-N 2.99Å; R70-K74 WeakPolarHBondContact O-CE 3.49Å; R70-K74 PolarHBondContact O-NZ 3.34Å; R70-L171 HydrophobicContact CG-CD1 3.75Å |
| 71 | L | 96.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -87.2 | -19.1 | 172.8 | -61.7 | 176.9 | 0 | 0 | 0 | 111.9 | L68 H69 G73 K74 F76 P89 F167 L171 | L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 VanDerWaalsContact O-CB 3.26Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.23Å; H69-L71 PolarHBondContact O-N 3.06Å; H69-L71 VanDerWaalsContact O-N 3.13Å; L71-G73 PolarHBondContact O-N 3.28Å; L71-K74 WeakPolarHBondContact O-CB 3.49Å; L71-K74 PolarHBondContact O-N 2.03Å; L71-K74 VanDerWaalsContact O-N 3.1Å; L71-F76 HydrophobicContact CD2-CE2 4.35Å; L71-F76 HydrophobicContact CD2-CZ 4.15Å; L71-P89 HydrophobicContact CB-CB 3.87Å; L71-P89 HydrophobicContact CB-CG 3.94Å; L71-P89 HydrophobicContact CD1-CG 4.5Å; L71-F167 HydrophobicContact CD1-CE1 3.98Å; L71-L171 HydrophobicContact CD1-CD1 3.94Å; L71-L171 HydrophobicContact CD2-CD1 3.87Å; L71-L171 HydrophobicContact CG-CD1 3.72Å |
| 72 | A | 96.8 | Very high | 95.6 | Very high | 37 Ų | 37 | 61 Ų | 61 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 135.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V62 H69 K74 F90 | V62-A72 HydrophobicContact CG2-CB 4.14Å; H69-A72 WeakPolarHBondContact O-CB 3.08Å; H69-A72 PolarHBondContact O-N 3.32Å; A72-K74 PolarHBondContact O-N 3.44Å; A72-F90 HydrophobicContact CB-CD2 3.92Å |
| 73 | G | 94.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 61.1 Ų | 61.1 | 84% | 0.835 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 0.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L71 | L71-G73 PolarHBondContact O-N 3.28Š|
| 74 | K | 96.8 | Very high | 95.5 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | trans | -102.5 | 147.3 | 169.7 | -63.5 | 175.4 | -178.2 | 156 | 0 | 109.8 | R70 L71 A72 F76 C88 P89 | R70-K74 WeakPolarHBondContact O-CE 3.49Å; R70-K74 PolarHBondContact O-NZ 3.34Å; L71-K74 WeakPolarHBondContact O-CB 3.49Å; L71-K74 PolarHBondContact O-N 2.03Å; L71-K74 VanDerWaalsContact O-N 3.1Å; A72-K74 PolarHBondContact O-N 3.44Å; K74-F76 HydrophobicContact CB-CE2 4.05Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; K74-C88 WeakPolarHBondContact O-CA 2.98Å; K74-P89 VanDerWaalsContact O-CD 3.24Å; K74-P89 WeakPolarHBondContact O-CD 3.42Å | ||
| 75 | C | 97.1 | Very high | 95.6 | Very high | 63 Ų | 63 | 63 Ų | 63 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | trans | -127.3 | 140.8 | 179 | -60 | 0 | 0 | 0 | 0 | 110.3 | E86 F87 C88 | C75-E86 HydrophobicContact CB-CG 4Å; C75-E86 WeakPolarHBondContact CB-OE1 3.15Å; C75-F87 WeakPolarHBondContact CA-O 3.28Å; C75-C88 HydrophobicContact CB-CB 4.18Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CB 2.83Å; C75-C88 CovalentContact SG-SG 2.04Å; C75-C88 PolarHBondContact SG-SG 2.81Å | ||
| 76 | F | 97.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.1 | -176.8 | -57.1 | -90.3 | 0 | 0 | 0 | 108.6 | L71 K74 E86 F87 P89 S150 L152 F167 | L71-F76 HydrophobicContact CD2-CE2 4.35Å; L71-F76 HydrophobicContact CD2-CZ 4.15Å; K74-F76 HydrophobicContact CB-CE2 4.05Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; F76-E86 WeakPolarHBondContact O-CA 3.24Å; F76-F87 PolarHBondContact N-O 2.9Å; F76-F87 PolarHBondContact O-N 3.2Å; F76-P89 HydrophobicContact CD2-CG 4.45Å; F76-P89 HydrophobicContact CE2-CG 4.25Å; F76-S150 WeakPolarHBondContact CD1-O 3.32Å; F76-S150 VanDerWaalsContact CE1-O 3.31Å; F76-S150 WeakPolarHBondContact CE1-O 3.39Å; F76-L152 HydrophobicContact CB-CB 4.32Å; F76-F167 HydrophobicContact CB-CE2 3.94Å; F76-F167 HydrophobicContact CD1-CE2 4.05Å; F76-F167 HydrophobicContact CD1-CZ 4.36Å; F76-F167 AromaticContact CD2-CE2 3.44Å; F76-F167 HydrophobicContact CD2-CE2 3.44Å; F76-F167 VanDerWaalsContact CD2-CE2 3.44Å; F76-F167 AromaticContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CE1-CE2 4.43Å; F76-F167 HydrophobicContact CE1-CZ 4.29Å; F76-F167 AromaticContact CE2-CE2 3.89Å; F76-F167 HydrophobicContact CE2-CE2 3.89Å; F76-F167 AromaticContact CE2-CZ 3.55Å; F76-F167 HydrophobicContact CE2-CZ 3.55Å; F76-F167 AromaticContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CZ 4.06Å; F76-F167 HydrophobicContact CZ-CE2 4.36Å; F76-F167 AromaticContact CZ-CZ 3.9Å; F76-F167 HydrophobicContact CZ-CZ 3.9Å |
| 77 | S | 96.5 | Very high | 95.8 | Very high | 65 Ų | 65 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.3 | -177.6 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | Y85 | S77-Y85 CarbonylContact C-O 3.54Å; S77-Y85 WeakPolarHBondContact CA-O 3.35Å; S77-Y85 WeakPolarHBondContact CB-O 3.4Å |
| 78 | L | 96.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 59 Ų | 59 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 128 | 173.2 | 177.4 | 67.6 | 0 | 0 | 0 | 107.5 | Y85 L152 V153 V155 | L78-Y85 PolarHBondContact N-O 2.88Å; L78-Y85 PolarHBondContact O-N 3.09Å; L78-L152 HydrophobicContact CB-CB 3.99Å; L78-L152 HydrophobicContact CB-CD2 3.61Å; L78-L152 HydrophobicContact CB-CG 3.7Å; L78-L152 HydrophobicContact CD2-CG 4.32Å; L78-V153 WeakPolarHBondContact CD2-O 3.48Å; L78-V155 HydrophobicContact CD2-CG2 4.28Å |
| 79 | T | 95.8 | Very high | 95.9 | Very high | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.5 | 172 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | Y83 Q98 | T79-Y83 CarbonylContact C-O 3.33Å; T79-Y83 WeakPolarHBondContact CA-O 3.47Å; T79-Q98 HydrophobicContact CG2-CG 4.49Å |
| 80 | E | 92.8 | Very high | 96 | Very high | 83 Ų | 83 | 56 Ų | 56 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.1 | 179.9 | -170.7 | 167.1 | -164.7 | 0 | 0 | 109.5 | M82 Y83 Y85 | E80-M82 PolarHBondContact O-N 2.63Å; E80-Y83 PolarHBondContact N-O 2.82Å; E80-Y83 PolarHBondContact O-N 3.22Å; E80-Y85 HydrophobicContact CB-CE2 4.27Å |
| 81 | S | 89.8 | Confident | 96 | Very high | 127 Ų | 127 | 52 Ų | 52 | 89% | 0.888 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | -107.1 | -168.7 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 82 | M | 91.6 | Very high | 96 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 6.8 | -176.1 | 63.7 | -169.9 | -76.7 | 0 | 0 | 113.1 | E80 E97 Q98 | E80-M82 PolarHBondContact O-N 2.63Å; M82-E97 HydrophobicContact CE-CG 3.93Å; M82-E97 VanDerWaalsContact CE-OE1 3.29Å; M82-E97 WeakPolarHBondContact CE-OE1 3.43Å; M82-Q98 PolarHBondContact O-N 3.16Å |
| 83 | Y | 94 | Very high | 96.1 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136 | -177.8 | -63.4 | -75.6 | 0 | 0 | 0 | 110.8 | T79 E80 Q95 E97 | T79-Y83 CarbonylContact C-O 3.33Å; T79-Y83 WeakPolarHBondContact CA-O 3.47Å; E80-Y83 PolarHBondContact N-O 2.82Å; E80-Y83 PolarHBondContact O-N 3.22Å; Y83-Q95 HydrophobicContact CD1-CG 3.78Å; Y83-Q95 VanDerWaalsContact CD1-NE2 3.34Å; Y83-Q95 HydrophobicContact CG-CG 4.24Å; Y83-E97 HydrophobicContact CD1-CB 3.93Å; Y83-E97 HydrophobicContact CD1-CG 4.26Å; Y83-E97 HydrophobicContact CE1-CB 3.76Å; Y83-E97 HydrophobicContact CE1-CG 3.85Å |
| 84 | K | 96.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.8 | 166.4 | -177.9 | 176.4 | -179.3 | 174 | 0 | 108 | H96 Q98 | K84-H96 HydrophobicContact CB-CB 4.43Å; K84-H96 PolarHBondContact N-O 3.25Å; K84-H96 PolarHBondContact O-N 3.41Å; K84-Q98 HydrophobicContact CB-CG 3.83Å; K84-Q98 VanDerWaalsContact CB-NE2 3.32Å |
| 85 | Y | 97 | Very high | 96.1 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.1 | 172.4 | -59.8 | -82.7 | 0 | 0 | 0 | 108.9 | S77 L78 E80 T94 Q95 L109 V155 | S77-Y85 CarbonylContact C-O 3.54Å; S77-Y85 WeakPolarHBondContact CA-O 3.35Å; S77-Y85 WeakPolarHBondContact CB-O 3.4Å; L78-Y85 PolarHBondContact N-O 2.88Å; L78-Y85 PolarHBondContact O-N 3.09Å; E80-Y85 HydrophobicContact CB-CE2 4.27Å; Y85-T94 WeakPolarHBondContact CA-O 3.5Å; Y85-Q95 HydrophobicContact CD1-CB 4.09Å; Y85-Q95 HydrophobicContact CD1-CG 4.01Å; Y85-Q95 HydrophobicContact CE1-CB 4.09Å; Y85-Q95 HydrophobicContact CE1-CG 3.63Å; Y85-Q95 PolarHBondContact OH-NE2 2.93Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.1Å; Y85-L109 HydrophobicContact CD1-CD1 3.92Å; Y85-L109 HydrophobicContact CE1-CD1 3.96Å; Y85-V155 HydrophobicContact CD1-CB 4.4Å; Y85-V155 HydrophobicContact CD1-CG1 3.87Å; Y85-V155 HydrophobicContact CD1-CG2 4.28Å; Y85-V155 HydrophobicContact CD2-CB 4.09Å; Y85-V155 HydrophobicContact CD2-CG1 4.39Å; Y85-V155 HydrophobicContact CD2-CG2 3.91Å; Y85-V155 HydrophobicContact CE1-CB 4.47Å; Y85-V155 HydrophobicContact CE1-CG1 3.78Å; Y85-V155 HydrophobicContact CE2-CB 4.19Å; Y85-V155 HydrophobicContact CE2-CG1 4.33Å; Y85-V155 HydrophobicContact CG-CB 4.2Å; Y85-V155 HydrophobicContact CG-CG1 4.17Å; Y85-V155 HydrophobicContact CG-CG2 3.78Å |
| 86 | E | 97.6 | Very high | 96 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.2 | 173.7 | 178.3 | 172 | -138.2 | 0 | 0 | 109.2 | C75 F76 V93 T94 | C75-E86 HydrophobicContact CB-CG 4Å; C75-E86 WeakPolarHBondContact CB-OE1 3.15Å; F76-E86 WeakPolarHBondContact O-CA 3.24Å; E86-V93 CarbonylContact O-C 3.6Å; E86-V93 WeakPolarHBondContact O-CA 3.45Å; E86-T94 PolarHBondContact N-O 3.38Å; E86-T94 PolarHBondContact O-N 2.99Å |
| 87 | F | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.8 | 176.9 | 169.8 | -132.3 | 0 | 0 | 0 | 109.5 | C75 F76 P89 V93 M125 M127 V142 L152 F167 | C75-F87 WeakPolarHBondContact CA-O 3.28Å; F76-F87 PolarHBondContact N-O 2.9Å; F76-F87 PolarHBondContact O-N 3.2Å; F87-P89 HydrophobicContact CD1-CG 4.2Å; F87-P89 HydrophobicContact CE1-CB 4.4Å; F87-P89 HydrophobicContact CE1-CG 3.61Å; F87-P89 HydrophobicContact CE2-CB 4.49Å; F87-P89 HydrophobicContact CE2-CG 4.3Å; F87-P89 HydrophobicContact CZ-CB 3.98Å; F87-P89 HydrophobicContact CZ-CG 3.67Å; F87-V93 HydrophobicContact CD2-CG2 3.7Å; F87-V93 HydrophobicContact CE2-CG2 4.34Å; F87-M125 HydrophobicContact CZ-SD 4.45Å; F87-M127 HydrophobicContact CE2-CE 4.23Å; F87-M127 HydrophobicContact CE2-SD 4.45Å; F87-V142 HydrophobicContact CD1-CG1 4.5Å; F87-V142 HydrophobicContact CD2-CG2 4.37Å; F87-V142 HydrophobicContact CE1-CG1 3.79Å; F87-V142 HydrophobicContact CE2-CG1 4.42Å; F87-V142 HydrophobicContact CE2-CG2 3.89Å; F87-V142 HydrophobicContact CZ-CB 4.35Å; F87-V142 HydrophobicContact CZ-CG1 3.74Å; F87-V142 HydrophobicContact CZ-CG2 4.04Å; F87-L152 HydrophobicContact CB-CD1 4.24Å; F87-L152 HydrophobicContact CB-CD2 4.34Å; F87-F167 HydrophobicContact CD1-CB 4.2Å; F87-F167 AromaticContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CE2 4.19Å; F87-F167 AromaticContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-F167 HydrophobicContact CE1-CD1 4.06Å; F87-F167 AromaticContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CE2 4.41Å; F87-F167 AromaticContact CE1-CG 3.69Å; F87-F167 HydrophobicContact CE1-CG 3.69Å |
| 88 | C | 97.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.054 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 103.9 | 172.3 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | K74 C75 F90 H91 N92 | K74-C88 WeakPolarHBondContact O-CA 2.98Å; C75-C88 HydrophobicContact CB-CB 4.18Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CB 2.83Å; C75-C88 CovalentContact SG-SG 2.04Å; C75-C88 PolarHBondContact SG-SG 2.81Å; C88-F90 PolarHBondContact O-N 3.18Å; C88-H91 HydrophobicContact CB-CB 3.91Å; C88-H91 PolarHBondContact O-N 3.25Å; C88-N92 PolarHBondContact N-O 3.16Å; C88-N92 PolarHBondContact O-N 2.95Å |
| 89 | P | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 136.3 | 179.2 | -29 | 37.1 | 0 | 0 | 0 | 112.2 | L71 K74 F76 F87 H91 | L71-P89 HydrophobicContact CB-CB 3.87Å; L71-P89 HydrophobicContact CB-CG 3.94Å; L71-P89 HydrophobicContact CD1-CG 4.5Å; K74-P89 VanDerWaalsContact O-CD 3.24Å; K74-P89 WeakPolarHBondContact O-CD 3.42Å; F76-P89 HydrophobicContact CD2-CG 4.45Å; F76-P89 HydrophobicContact CE2-CG 4.25Å; F87-P89 HydrophobicContact CD1-CG 4.2Å; F87-P89 HydrophobicContact CE1-CB 4.4Å; F87-P89 HydrophobicContact CE1-CG 3.61Å; F87-P89 HydrophobicContact CE2-CB 4.49Å; F87-P89 HydrophobicContact CE2-CG 4.3Å; F87-P89 HydrophobicContact CZ-CB 3.98Å; F87-P89 HydrophobicContact CZ-CG 3.67Å; P89-H91 PolarHBondContact O-N 3.38Å |
| 90 | F | 97.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 14.7 | -175.3 | -46.2 | -79 | 0 | 0 | 0 | 115.8 | V62 S63 L68 A72 C88 W112 W115 M125 | V62-F90 HydrophobicContact CB-CD1 4.48Å; V62-F90 HydrophobicContact CB-CG 4.43Å; V62-F90 HydrophobicContact CG1-CD1 3.96Å; V62-F90 HydrophobicContact CG1-CD2 4.09Å; V62-F90 HydrophobicContact CG1-CE1 4.14Å; V62-F90 HydrophobicContact CG1-CE2 4.28Å; V62-F90 HydrophobicContact CG1-CG 3.92Å; V62-F90 HydrophobicContact CG1-CZ 4.3Å; V62-F90 HydrophobicContact CG2-CB 3.84Å; V62-F90 HydrophobicContact CG2-CG 4.16Å; S63-F90 WeakPolarHBondContact O-CE1 3.28Å; L68-F90 HydrophobicContact CB-CE2 4.38Å; L68-F90 HydrophobicContact CB-CZ 4.06Å; L68-F90 WeakPolarHBondContact O-CE2 3.48Å; A72-F90 HydrophobicContact CB-CD2 3.92Å; C88-F90 PolarHBondContact O-N 3.18Å; F90-W112 VanDerWaalsContact C-CB 3.44Å; F90-W112 HydrophobicContact CB-CG 4.32Å; F90-W112 HydrophobicContact CD1-CD2 4.22Å; F90-W112 AromaticContact CD1-CE2 3.7Å; F90-W112 AromaticContact CD1-CZ2 3.93Å; F90-W112 HydrophobicContact CD1-CZ2 3.93Å; F90-W112 AromaticContact CD1-NE1 3.79Å; F90-W112 HydrophobicContact CE1-CZ2 4.16Å; F90-W115 HydrophobicContact CE1-CH2 4.49Å; F90-W115 AromaticContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CZ-CZ2 4.05Å; F90-M125 HydrophobicContact CD1-CE 3.81Å; F90-M125 HydrophobicContact CE1-CE 3.7Å; F90-M125 HydrophobicContact CG-CE 4.35Å; F90-M125 HydrophobicContact CZ-CE 4.14Å |
| 91 | H | 96.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 48.7 Ų | 48.7 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -82.7 | 177.3 | -166.1 | 51.7 | 0 | 0 | 0 | 111.6 | C88 P89 W112 | C88-H91 HydrophobicContact CB-CB 3.91Å; C88-H91 PolarHBondContact O-N 3.25Å; P89-H91 PolarHBondContact O-N 3.38Å; H91-W112 PolarHBondContact O-N 2.66Å |
| 92 | N | 97.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 169.2 | -177.6 | 62.6 | -3.4 | 0 | 0 | 0 | 112.4 | C88 I108 G110 I111 M127 | C88-N92 PolarHBondContact N-O 3.16Å; C88-N92 PolarHBondContact O-N 2.95Å; N92-I108 HydrophobicContact CB-CG2 4.47Å; N92-G110 CarbonylContact C-O 3.6Å; N92-G110 VanDerWaalsContact CA-O 3.28Å; N92-G110 WeakPolarHBondContact CA-O 3.46Å; N92-G110 WeakPolarHBondContact CB-O 3.21Å; N92-I111 HydrophobicContact CB-CG1 4.47Å; N92-M127 VanDerWaalsContact CA-CE 3.5Å |
| 93 | V | 97.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.8 | 168.2 | -176 | 0 | 0 | 0 | 0 | 107.6 | E86 F87 L109 G110 M127 T140 V142 | E86-V93 CarbonylContact O-C 3.6Å; E86-V93 WeakPolarHBondContact O-CA 3.45Å; F87-V93 HydrophobicContact CD2-CG2 3.7Å; F87-V93 HydrophobicContact CE2-CG2 4.34Å; V93-L109 HydrophobicContact CB-CB 4.26Å; V93-L109 HydrophobicContact CG1-CB 4.09Å; V93-L109 HydrophobicContact CG1-CD1 4.16Å; V93-L109 HydrophobicContact CG1-CG 4.48Å; V93-L109 PolarHBondContact O-N 3.32Å; V93-G110 PolarHBondContact N-O 2.8Å; V93-G110 PolarHBondContact O-N 3.28Å; V93-M127 HydrophobicContact CG2-CB 4.35Å; V93-M127 HydrophobicContact CG2-CE 4.07Å; V93-M127 HydrophobicContact CG2-CG 3.89Å; V93-T140 HydrophobicContact CG1-CG2 4.43Å; V93-T140 HydrophobicContact CG2-CG2 4.14Å; V93-V142 HydrophobicContact CG2-CG2 4.39Å |
| 94 | T | 96.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156 | 178.6 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | L53 Y85 E86 H96 G107 I108 | L53-T94 HydrophobicContact CD1-CG2 3.83Å; Y85-T94 WeakPolarHBondContact CA-O 3.5Å; E86-T94 PolarHBondContact N-O 3.38Å; E86-T94 PolarHBondContact O-N 2.99Å; T94-H96 PolarHBondContact OG1-NE2 3.23Å; T94-G107 CarbonylContact C-O 3.58Å; T94-G107 WeakPolarHBondContact CA-O 3.49Å; T94-I108 HydrophobicContact CG2-CG1 4.32Å |
| 95 | Q | 95.4 | Very high | 92 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.4 | 174.1 | -177 | -176.9 | 36.3 | 0 | 0 | 109 | Y83 Y85 Y105 S106 G107 L109 | Y83-Q95 HydrophobicContact CD1-CG 3.78Å; Y83-Q95 VanDerWaalsContact CD1-NE2 3.34Å; Y83-Q95 HydrophobicContact CG-CG 4.24Å; Y85-Q95 HydrophobicContact CD1-CB 4.09Å; Y85-Q95 HydrophobicContact CD1-CG 4.01Å; Y85-Q95 HydrophobicContact CE1-CB 4.09Å; Y85-Q95 HydrophobicContact CE1-CG 3.63Å; Y85-Q95 PolarHBondContact OH-NE2 2.93Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.1Å; Q95-Y105 VanDerWaalsContact OE1-CE1 3.32Å; Q95-S106 CarbonylContact O-C 3.31Å; Q95-S106 VanDerWaalsContact O-CA 3.28Å; Q95-S106 WeakPolarHBondContact O-CA 3.46Å; Q95-G107 PolarHBondContact N-O 2.97Å; Q95-G107 PolarHBondContact O-N 3.29Å; Q95-L109 HydrophobicContact CB-CD1 3.99Å; Q95-L109 HydrophobicContact CB-CD2 3.95Å; Q95-L109 HydrophobicContact CB-CG 3.95Å |
| 96 | H | 93.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 22% | 0.218 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.1 | 177.9 | -62.6 | -76.3 | 0 | 0 | 0 | 110.1 | K84 T94 Q98 S106 | K84-H96 HydrophobicContact CB-CB 4.43Å; K84-H96 PolarHBondContact N-O 3.25Å; K84-H96 PolarHBondContact O-N 3.41Å; T94-H96 PolarHBondContact OG1-NE2 3.23Å; H96-Q98 PolarHBondContact O-N 2.93Å; H96-Q98 PolarHBondContact O-NE2 3.21Å; H96-S106 WeakPolarHBondContact ND1-CB 3.27Å; H96-S106 PolarHBondContact ND1-OG 2.62Å |
| 97 | E | 92.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.1 | 170.5 | -169.2 | -174.8 | 159.5 | 0 | 0 | 109.9 | M82 Y83 S99 A104 Y105 | M82-E97 HydrophobicContact CE-CG 3.93Å; M82-E97 VanDerWaalsContact CE-OE1 3.29Å; M82-E97 WeakPolarHBondContact CE-OE1 3.43Å; Y83-E97 HydrophobicContact CD1-CB 3.93Å; Y83-E97 HydrophobicContact CD1-CG 4.26Å; Y83-E97 HydrophobicContact CE1-CB 3.76Å; Y83-E97 HydrophobicContact CE1-CG 3.85Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 VanDerWaalsContact CD-OG 3.28Å; E97-S99 PolarHBondContact O-N 3.22Å; E97-S99 VanDerWaalsContact OE1-CB 3.29Å; E97-S99 WeakPolarHBondContact OE1-CB 2.99Å; E97-S99 PolarHBondContact OE1-OG 3.41Å; E97-A104 HydrophobicContact CB-CB 4.17Å; E97-Y105 VanDerWaalsContact CB-O 3.27Å; E97-Y105 WeakPolarHBondContact CB-O 3.13Å; E97-Y105 PolarHBondContact N-O 2.85Å; E97-Y105 PolarHBondContact OE2-N 3.3Å |
| 98 | Q | 90.2 | Very high | 91.5 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | trans | -91.6 | 14.9 | -177.4 | -60.1 | -58.2 | -68.3 | 0 | 0 | 112.6 | T79 M82 K84 H96 | T79-Q98 HydrophobicContact CG2-CG 4.49Å; M82-Q98 PolarHBondContact O-N 3.16Å; K84-Q98 HydrophobicContact CB-CG 3.83Å; K84-Q98 VanDerWaalsContact CB-NE2 3.32Å; H96-Q98 PolarHBondContact O-N 2.93Å; H96-Q98 PolarHBondContact O-NE2 3.21Å | ||
| 99 | S | 85.7 | Confident | 91.5 | Very high | 28 Ų | 28 | 53 Ų | 53 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.4 | 149.4 | 179.6 | 75 | 0 | 0 | 0 | 0 | 111.2 | E97 R101 | E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 VanDerWaalsContact CD-OG 3.28Å; E97-S99 PolarHBondContact O-N 3.22Å; E97-S99 VanDerWaalsContact OE1-CB 3.29Å; E97-S99 WeakPolarHBondContact OE1-CB 2.99Å; E97-S99 PolarHBondContact OE1-OG 3.41Å; S99-R101 PolarHBondContact O-N 2.62Å; S99-R101 WeakPolarHBondContact OG-CG 3.47Å |
| 100 | F | 82.8 | Confident | 91.5 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 69% | 0.693 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -74 | 22.4 | 176.4 | -64.7 | -93.8 | 0 | 0 | 0 | 113.2 | P37 N38 | P37-F100 HydrophobicContact CB-CE1 4.28Å; P37-F100 HydrophobicContact CB-CZ 4.1Å; N38-F100 WeakPolarHBondContact ND2-CD1 3.48Å; N38-F100 WeakPolarHBondContact ND2-CE1 2.85Å |
| 101 | R | 82.5 | Confident | 91.5 | Very high | 160 Ų | 160 | 52.5 Ų | 52.5 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | trans | -82.1 | 140.9 | -179.1 | -64.7 | 178.6 | 179.8 | 178 | 0.1 | 109.4 | S99 N103 A104 | S99-R101 PolarHBondContact O-N 2.62Å; S99-R101 WeakPolarHBondContact OG-CG 3.47Å; R101-N103 PolarHBondContact O-N 3.42Å; R101-N103 VanDerWaalsContact O-N 3.15Å; R101-A104 PolarHBondContact O-N 3.22Å | ||
| 102 | W | 77.3 | Confident | 91.6 | Very high | 242 Ų | 242 | 49 Ų | 49 | 92% | 0.917 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.9 | 176.5 | 68.8 | -89.3 | 0 | 0 | 0 | 112.8 | ||
| 103 | N | 81.2 | Confident | 91.5 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 35.5 | 179.5 | 67.9 | -34.9 | 0 | 0 | 0 | 112.8 | R101 Y105 | R101-N103 PolarHBondContact O-N 3.42Å; R101-N103 VanDerWaalsContact O-N 3.15Å; N103-Y105 PolarHBondContact O-N 3.46Å |
| 104 | A | 86.3 | Confident | 91.5 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | trans | -54 | 134.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | E97 R101 S106 | E97-A104 HydrophobicContact CB-CB 4.17Å; R101-A104 PolarHBondContact O-N 3.22Å; A104-S106 PolarHBondContact O-N 3.39Å | ||
| 105 | Y | 88.5 | Confident | 91.5 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | trans | -66.3 | 133.1 | -179.1 | 178.1 | -106.8 | 0 | 0 | 0 | 111 | Q95 E97 N103 R138 | Q95-Y105 VanDerWaalsContact OE1-CE1 3.32Å; E97-Y105 VanDerWaalsContact CB-O 3.27Å; E97-Y105 WeakPolarHBondContact CB-O 3.13Å; E97-Y105 PolarHBondContact N-O 2.85Å; E97-Y105 PolarHBondContact OE2-N 3.3Å; N103-Y105 PolarHBondContact O-N 3.46Å; Y105-R138 PolarHBondContact OH-NH1 2.99Å; Y105-R138 PolarHBondContact OH-NH2 3.4Å | ||
| 106 | S | 92.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.8 | 166 | -74.9 | 0 | 0 | 0 | 0 | 108.3 | L53 Q95 H96 A104 | L53-S106 WeakPolarHBondContact CD2-O 3.26Å; Q95-S106 CarbonylContact O-C 3.31Å; Q95-S106 VanDerWaalsContact O-CA 3.28Å; Q95-S106 WeakPolarHBondContact O-CA 3.46Å; H96-S106 WeakPolarHBondContact ND1-CB 3.27Å; H96-S106 PolarHBondContact ND1-OG 2.62Å; A104-S106 PolarHBondContact O-N 3.39Å |
| 107 | G | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 164.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T94 Q95 D131 | T94-G107 CarbonylContact C-O 3.58Å; T94-G107 WeakPolarHBondContact CA-O 3.49Å; Q95-G107 PolarHBondContact N-O 2.97Å; Q95-G107 PolarHBondContact O-N 3.29Å; G107-D131 WeakPolarHBondContact CA-OD2 3.39Å |
| 108 | I | 97.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122 | 177.6 | -58.4 | 175 | 0 | 0 | 0 | 108.3 | L53 P55 N92 T94 I111 G130 D131 | L53-I108 HydrophobicContact CB-CD1 4.06Å; L53-I108 HydrophobicContact CB-CG1 3.92Å; L53-I108 HydrophobicContact CD1-CG1 4.07Å; P55-I108 HydrophobicContact CB-CD1 3.94Å; N92-I108 HydrophobicContact CB-CG2 4.47Å; T94-I108 HydrophobicContact CG2-CG1 4.32Å; I108-I111 HydrophobicContact CG2-CD1 4.48Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I108-G130 WeakPolarHBondContact O-CA 3.21Å; I108-D131 PolarHBondContact N-OD2 2.91Å; I108-D131 PolarHBondContact O-N 3.25Å |
| 109 | L | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -18.4 | 177.5 | -56.8 | -172.7 | 0 | 0 | 0 | 112.7 | Y85 V93 Q95 R138 E139 T140 Y163 | Y85-L109 HydrophobicContact CD1-CD1 3.92Å; Y85-L109 HydrophobicContact CE1-CD1 3.96Å; V93-L109 HydrophobicContact CB-CB 4.26Å; V93-L109 HydrophobicContact CG1-CB 4.09Å; V93-L109 HydrophobicContact CG1-CD1 4.16Å; V93-L109 HydrophobicContact CG1-CG 4.48Å; V93-L109 PolarHBondContact O-N 3.32Å; Q95-L109 HydrophobicContact CB-CD1 3.99Å; Q95-L109 HydrophobicContact CB-CD2 3.95Å; Q95-L109 HydrophobicContact CB-CG 3.95Å; L109-R138 CarbonylContact O-C 3.52Å; L109-R138 VanDerWaalsContact O-C 3.26Å; L109-R138 WeakPolarHBondContact O-CB 3.39Å; L109-E139 CarbonylContact O-C 3.59Å; L109-E139 PolarHBondContact O-N 3.33Å; L109-T140 WeakPolarHBondContact CB-OG1 3.3Å; L109-T140 PolarHBondContact O-OG1 3.23Å; L109-Y163 HydrophobicContact CB-CD2 4.21Å; L109-Y163 HydrophobicContact CD1-CD1 4.11Å; L109-Y163 HydrophobicContact CD1-CD2 4.36Å; L109-Y163 HydrophobicContact CD1-CE1 4.39Å; L109-Y163 HydrophobicContact CD1-CG 4.11Å; L109-Y163 HydrophobicContact CD2-CD2 4.21Å; L109-Y163 HydrophobicContact CD2-CE1 4.37Å; L109-Y163 HydrophobicContact CD2-CE2 3.8Å |
| 110 | G | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 159.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N92 V93 | N92-G110 CarbonylContact C-O 3.6Å; N92-G110 VanDerWaalsContact CA-O 3.28Å; N92-G110 WeakPolarHBondContact CA-O 3.46Å; N92-G110 WeakPolarHBondContact CB-O 3.21Å; V93-G110 PolarHBondContact N-O 2.8Å; V93-G110 PolarHBondContact O-N 3.28Å |
| 111 | I | 97.9 | Very high | 93 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.4 | -179.5 | -58.7 | 165.2 | 0 | 0 | 0 | 107.4 | P55 V57 P59 N92 I108 Q113 M127 R128 D129 | P55-I111 HydrophobicContact CB-CD1 3.56Å; P55-I111 HydrophobicContact CB-CG1 4.22Å; V57-I111 HydrophobicContact CG2-CB 4.5Å; V57-I111 HydrophobicContact CG2-CD1 3.69Å; V57-I111 HydrophobicContact CG2-CG2 4.4Å; P59-I111 HydrophobicContact CB-CG2 3.87Å; N92-I111 HydrophobicContact CB-CG1 4.47Å; I108-I111 HydrophobicContact CG2-CD1 4.48Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I111-Q113 PolarHBondContact O-N 3.43Å; I111-M127 CarbonylContact O-C 3.26Å; I111-M127 VanDerWaalsContact O-C 3.31Å; I111-M127 WeakPolarHBondContact O-CA 3.47Å; I111-R128 WeakPolarHBondContact CA-O 3.24Å; I111-R128 WeakPolarHBondContact CB-O 3.36Å; I111-R128 PolarHBondContact N-O 2.87Å; I111-R128 PolarHBondContact O-N 3.01Å; I111-D129 WeakPolarHBondContact CD1-O 3.38Å |
| 112 | W | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 127 | -177.8 | 169 | -118.9 | 0 | 0 | 0 | 111.9 | P59 A60 P61 F90 H91 E114 W115 M125 M127 | P59-W112 WeakPolarHBondContact CA-O 3.15Å; P59-W112 HydrophobicContact CB-CB 4.12Å; A60-W112 PolarHBondContact N-O 3.07Å; P61-W112 PolarHBondContact O-NE1 3.2Å; P61-W112 VanDerWaalsContact O-NE1 3.1Å; F90-W112 VanDerWaalsContact C-CB 3.44Å; F90-W112 HydrophobicContact CB-CG 4.32Å; F90-W112 HydrophobicContact CD1-CD2 4.22Å; F90-W112 AromaticContact CD1-CE2 3.7Å; F90-W112 AromaticContact CD1-CZ2 3.93Å; F90-W112 HydrophobicContact CD1-CZ2 3.93Å; F90-W112 AromaticContact CD1-NE1 3.79Å; F90-W112 HydrophobicContact CE1-CZ2 4.16Å; H91-W112 PolarHBondContact O-N 2.66Å; W112-E114 WeakPolarHBondContact CZ3-O 3.46Å; W112-W115 AromaticContact CH2-CD1 3.58Å; W112-W115 AromaticContact CH2-CD2 3.79Å; W112-W115 HydrophobicContact CH2-CD2 3.79Å; W112-W115 AromaticContact CH2-CE2 3.58Å; W112-W115 AromaticContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CZ2 4.2Å; W112-W115 AromaticContact CH2-NE1 3.44Å; W112-W115 AromaticContact CZ2-CD1 3.94Å; W112-W115 AromaticContact CZ2-NE1 3.6Å; W112-M125 HydrophobicContact CD2-CE 4.17Å; W112-M125 HydrophobicContact CE3-CB 4.15Å; W112-M125 HydrophobicContact CE3-CE 3.6Å; W112-M125 HydrophobicContact CH2-CB 4.49Å; W112-M125 HydrophobicContact CH2-CE 3.85Å; W112-M125 HydrophobicContact CH2-CG 4.4Å; W112-M125 HydrophobicContact CZ2-CE 4.38Å; W112-M125 HydrophobicContact CZ3-CB 3.55Å; W112-M125 HydrophobicContact CZ3-CE 3.45Å; W112-M125 VanDerWaalsContact CZ3-CE 3.45Å; W112-M125 HydrophobicContact CZ3-CG 3.85Å; W112-M127 HydrophobicContact CB-CE 3.86Å; W112-M127 HydrophobicContact CB-SD 3.98Å; W112-M127 HydrophobicContact CE3-SD 3.84Å |
| 113 | Q | 96.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | -58.9 | 179.4 | -73.3 | -67.1 | 2.3 | 0 | 0 | 112.8 | A60 I111 W126 R128 D129 | A60-Q113 VanDerWaalsContact CB-O 3.27Å; A60-Q113 WeakPolarHBondContact CB-O 3.33Å; I111-Q113 PolarHBondContact O-N 3.43Å; Q113-W126 PolarHBondContact N-O 3.36Å; Q113-R128 HydrophobicContact CB-CG 4.43Å; Q113-R128 HydrophobicContact CG-CB 3.96Å; Q113-R128 HydrophobicContact CG-CG 4.29Å; Q113-D129 PolarHBondContact NE2-OD2 2.81Å |
| 114 | E | 97 | Very high | 95.4 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 161.3 | -168.1 | 66.6 | -172.7 | 162.6 | 0 | 0 | 112.7 | W112 W126 R128 K224 | W112-E114 WeakPolarHBondContact CZ3-O 3.46Å; E114-W126 HydrophobicContact CG-CB 3.85Å; E114-W126 PolarHBondContact N-O 3.35Å; E114-W126 PolarHBondContact O-N 3.4Å; E114-R128 IonicContact OE1-CZ 2.9Å; E114-R128 IonicContact OE1-NE 3.93Å; E114-R128 PolarHBondContact OE1-NE 2.85Å; E114-R128 IonicContact OE1-NH2 3Å; E114-R128 PolarHBondContact OE1-NH2 3.29Å; E114-K224 HydrophobicContact CB-CB 4.41Å; E114-K224 VanDerWaalsContact OE2-CB 3.29Å; E114-K224 WeakPolarHBondContact OE2-CB 3.39Å; E114-K224 PolarHBondContact OE2-N 3.43Å |
| 115 | W | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 152.1 | 170.2 | -70.5 | 97.4 | 0 | 0 | 0 | 111.5 | S63 L68 F90 W112 I117 F122 M125 L144 L222 L223 | S63-W115 PolarHBondContact O-NE1 3.03Å; L68-W115 HydrophobicContact CD1-CH2 3.66Å; L68-W115 HydrophobicContact CD1-CZ2 4.34Å; L68-W115 HydrophobicContact CD1-CZ3 4.5Å; F90-W115 HydrophobicContact CE1-CH2 4.49Å; F90-W115 AromaticContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CZ-CZ2 4.05Å; W112-W115 AromaticContact CH2-CD1 3.58Å; W112-W115 AromaticContact CH2-CD2 3.79Å; W112-W115 HydrophobicContact CH2-CD2 3.79Å; W112-W115 AromaticContact CH2-CE2 3.58Å; W112-W115 AromaticContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CZ2 4.2Å; W112-W115 AromaticContact CH2-NE1 3.44Å; W112-W115 AromaticContact CZ2-CD1 3.94Å; W112-W115 AromaticContact CZ2-NE1 3.6Å; W115-I117 HydrophobicContact CB-CG1 4.32Å; W115-F122 HydrophobicContact CB-CD1 3.74Å; W115-F122 HydrophobicContact CB-CE1 3.92Å; W115-F122 AromaticContact CD1-CE1 3.96Å; W115-F122 AromaticContact CD2-CD1 3.6Å; W115-F122 HydrophobicContact CD2-CD1 3.6Å; W115-F122 AromaticContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CG 4.42Å; W115-F122 HydrophobicContact CE3-CB 4.1Å; W115-F122 AromaticContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CE1 4.46Å; W115-F122 HydrophobicContact CE3-CG 4.15Å; W115-F122 AromaticContact CG-CD1 3.62Å; W115-F122 HydrophobicContact CG-CD1 3.62Å; W115-F122 AromaticContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CZ3-CB 4.4Å; W115-M125 HydrophobicContact CD2-CG 4.35Å; W115-M125 HydrophobicContact CE3-CG 3.62Å; W115-M125 HydrophobicContact CH2-CE 4.03Å; W115-M125 HydrophobicContact CH2-CG 3.6Å; W115-M125 HydrophobicContact CH2-SD 3.75Å; W115-M125 HydrophobicContact CZ2-CE 4.18Å; W115-M125 HydrophobicContact CZ2-CG 4.34Å; W115-M125 HydrophobicContact CZ2-SD 4.49Å; W115-M125 HydrophobicContact CZ3-CG 3.2Å; W115-M125 HydrophobicContact CZ3-SD 3.95Å; W115-L144 HydrophobicContact CH2-CD1 4.22Å; W115-L144 HydrophobicContact CZ3-CD1 4.03Å; W115-L222 PolarHBondContact N-O 2.87Å; W115-L223 WeakPolarHBondContact O-CD2 3.13Å |
| 116 | E | 97.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.3 | 163.8 | -169.8 | -179.5 | 177.7 | 0 | 0 | 109.1 | T123 G124 W126 K141 | E116-T123 WeakPolarHBondContact CG-OG1 3.28Å; E116-T123 PolarHBondContact O-N 3.4Å; E116-T123 PolarHBondContact O-OG1 2.91Å; E116-G124 PolarHBondContact N-O 2.9Å; E116-W126 PolarHBondContact OE2-NE1 3.45Å; E116-K141 IonicContact OE1-NZ 3.38Å; E116-K141 PolarHBondContact OE1-NZ 2.95Å; E116-K141 VanDerWaalsContact OE2-CD 3.28Å; E116-K141 WeakPolarHBondContact OE2-CD 3.18Å; E116-K141 WeakPolarHBondContact OE2-CE 3.19Å; E116-K141 IonicContact OE2-NZ 3.83Å; E116-K141 PolarHBondContact OE2-NZ 2.98Å |
| 117 | I | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.7 | -178.3 | -61.4 | 169.3 | 0 | 0 | 0 | 108.8 | W115 T121 F122 V180 F217 L222 L223 | W115-I117 HydrophobicContact CB-CG1 4.32Å; I117-T121 WeakPolarHBondContact CA-O 3.48Å; I117-F122 HydrophobicContact CD1-CD1 4.45Å; I117-F122 HydrophobicContact CD1-CE1 4.09Å; I117-F122 HydrophobicContact CG1-CD1 3.98Å; I117-F122 HydrophobicContact CG1-CE1 4.14Å; I117-V180 HydrophobicContact CD1-CG1 4.35Å; I117-V180 HydrophobicContact CD1-CG2 4.07Å; I117-V180 HydrophobicContact CG1-CG2 4.1Å; I117-V180 HydrophobicContact CG2-CG2 3.8Å; I117-F217 HydrophobicContact CB-CE2 4.47Å; I117-F217 HydrophobicContact CD1-CB 4.29Å; I117-F217 HydrophobicContact CD1-CD2 3.67Å; I117-F217 HydrophobicContact CD1-CE2 4.12Å; I117-F217 HydrophobicContact CD1-CG 3.9Å; I117-F217 HydrophobicContact CG2-CD2 4.35Å; I117-F217 HydrophobicContact CG2-CE2 3.81Å; I117-F217 HydrophobicContact CG2-CZ 4.42Å; I117-L222 HydrophobicContact CD1-CB 4.11Å; I117-L222 HydrophobicContact CD1-CD1 4.19Å; I117-L223 HydrophobicContact CD1-CD2 4.37Å |
| 118 | A | 95 | Very high | 96.8 | Very high | 42 Ų | 42 | 29 Ų | 29 | 35% | 0.347 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | N120 T121 T123 | A118-N120 PolarHBondContact O-N 2.85Å; A118-T121 PolarHBondContact N-O 2.85Å; A118-T121 PolarHBondContact O-N 2.79Å; A118-T121 PolarHBondContact O-OG1 2.79Å; A118-T123 HydrophobicContact CB-CG2 3.79Å |
| 119 | N | 93.4 | Very high | 96.7 | Very high | 153 Ų | 153 | 30.7 Ų | 30.7 | 82% | 0.818 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.4 | -179.1 | -55.7 | -34.8 | 0 | 0 | 0 | 112.9 | T121 | N119-T121 PolarHBondContact O-N 2.88Å; N119-T121 VanDerWaalsContact O-N 3.16Å |
| 120 | N | 93.2 | Very high | 96.7 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.7 | 178.9 | -55 | -23 | 0 | 0 | 0 | 114.5 | A118 V180 W192 | A118-N120 PolarHBondContact O-N 2.85Å; N120-V180 WeakPolarHBondContact O-CG2 3.29Å; N120-V180 PolarHBondContact O-N 3.1Å; N120-W192 HydrophobicContact CB-CH2 3.75Å; N120-W192 HydrophobicContact CB-CZ2 3.81Å |
| 121 | T | 96.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.9 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | I117 A118 N119 T123 L178 L179 | I117-T121 WeakPolarHBondContact CA-O 3.48Å; A118-T121 PolarHBondContact N-O 2.85Å; A118-T121 PolarHBondContact O-N 2.79Å; A118-T121 PolarHBondContact O-OG1 2.79Å; N119-T121 PolarHBondContact O-N 2.88Å; N119-T121 VanDerWaalsContact O-N 3.16Å; T121-T123 PolarHBondContact O-N 2.87Å; T121-L178 CarbonylContact C-O 3.57Å; T121-L178 VanDerWaalsContact CA-O 3.24Å; T121-L178 WeakPolarHBondContact CA-O 3.49Å; T121-L179 HydrophobicContact CG2-CD2 3.82Å |
| 122 | F | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118.5 | 171.2 | -62.4 | -73.2 | 0 | 0 | 0 | 109.6 | P65 W115 I117 L178 V180 T183 L222 | P65-F122 HydrophobicContact CG-CD2 3.65Å; P65-F122 HydrophobicContact CG-CE2 3.6Å; P65-F122 HydrophobicContact CG-CG 4.44Å; P65-F122 HydrophobicContact CG-CZ 4.35Å; W115-F122 HydrophobicContact CB-CD1 3.74Å; W115-F122 HydrophobicContact CB-CE1 3.92Å; W115-F122 AromaticContact CD1-CE1 3.96Å; W115-F122 AromaticContact CD2-CD1 3.6Å; W115-F122 HydrophobicContact CD2-CD1 3.6Å; W115-F122 AromaticContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CG 4.42Å; W115-F122 HydrophobicContact CE3-CB 4.1Å; W115-F122 AromaticContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CE1 4.46Å; W115-F122 HydrophobicContact CE3-CG 4.15Å; W115-F122 AromaticContact CG-CD1 3.62Å; W115-F122 HydrophobicContact CG-CD1 3.62Å; W115-F122 AromaticContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CZ3-CB 4.4Å; I117-F122 HydrophobicContact CD1-CD1 4.45Å; I117-F122 HydrophobicContact CD1-CE1 4.09Å; I117-F122 HydrophobicContact CG1-CD1 3.98Å; I117-F122 HydrophobicContact CG1-CE1 4.14Å; F122-L178 HydrophobicContact CB-CB 4.26Å; F122-L178 HydrophobicContact CB-CD2 4.17Å; F122-L178 WeakPolarHBondContact CD2-O 3.38Å; F122-L178 PolarHBondContact N-O 2.88Å; F122-V180 HydrophobicContact CD1-CG2 4.25Å; F122-V180 HydrophobicContact CD2-CG2 4.01Å; F122-V180 HydrophobicContact CE1-CG2 4.07Å; F122-V180 HydrophobicContact CE2-CB 4.2Å; F122-V180 HydrophobicContact CE2-CG2 3.79Å; F122-V180 HydrophobicContact CG-CG2 4.23Å; F122-V180 HydrophobicContact CZ-CB 4.26Å; F122-V180 HydrophobicContact CZ-CG1 4.12Å; F122-V180 HydrophobicContact CZ-CG2 3.83Å; F122-T183 HydrophobicContact CE2-CG2 3.8Å; F122-T183 HydrophobicContact CZ-CG2 4.41Å; F122-L222 HydrophobicContact CE1-CD1 3.98Å; F122-L222 HydrophobicContact CE1-CD2 3.98Å; F122-L222 HydrophobicContact CE1-CG 4.41Å; F122-L222 HydrophobicContact CZ-CD1 3.82Å; F122-L222 HydrophobicContact CZ-CD2 3.99Å |
| 123 | T | 96.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -23.1 | -178.8 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | E116 A118 T121 | E116-T123 WeakPolarHBondContact CG-OG1 3.28Å; E116-T123 PolarHBondContact O-N 3.4Å; E116-T123 PolarHBondContact O-OG1 2.91Å; A118-T123 HydrophobicContact CB-CG2 3.79Å; T121-T123 PolarHBondContact O-N 2.87Å |
| 124 | G | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 171.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E116 V142 | E116-G124 PolarHBondContact N-O 2.9Å; G124-V142 CarbonylContact C-O 3.5Å; G124-V142 WeakPolarHBondContact CA-O 3.31Å |
| 125 | M | 98 | Very high | 95.8 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.3 | 173.4 | -60.8 | 174.8 | 78.2 | 0 | 0 | 108.4 | F87 F90 W112 W115 V142 L144 | F87-M125 HydrophobicContact CZ-SD 4.45Å; F90-M125 HydrophobicContact CD1-CE 3.81Å; F90-M125 HydrophobicContact CE1-CE 3.7Å; F90-M125 HydrophobicContact CG-CE 4.35Å; F90-M125 HydrophobicContact CZ-CE 4.14Å; W112-M125 HydrophobicContact CD2-CE 4.17Å; W112-M125 HydrophobicContact CE3-CB 4.15Å; W112-M125 HydrophobicContact CE3-CE 3.6Å; W112-M125 HydrophobicContact CH2-CB 4.49Å; W112-M125 HydrophobicContact CH2-CE 3.85Å; W112-M125 HydrophobicContact CH2-CG 4.4Å; W112-M125 HydrophobicContact CZ2-CE 4.38Å; W112-M125 HydrophobicContact CZ3-CB 3.55Å; W112-M125 HydrophobicContact CZ3-CE 3.45Å; W112-M125 VanDerWaalsContact CZ3-CE 3.45Å; W112-M125 HydrophobicContact CZ3-CG 3.85Å; W115-M125 HydrophobicContact CD2-CG 4.35Å; W115-M125 HydrophobicContact CE3-CG 3.62Å; W115-M125 HydrophobicContact CH2-CE 4.03Å; W115-M125 HydrophobicContact CH2-CG 3.6Å; W115-M125 HydrophobicContact CH2-SD 3.75Å; W115-M125 HydrophobicContact CZ2-CE 4.18Å; W115-M125 HydrophobicContact CZ2-CG 4.34Å; W115-M125 HydrophobicContact CZ2-SD 4.49Å; W115-M125 HydrophobicContact CZ3-CG 3.2Å; W115-M125 HydrophobicContact CZ3-SD 3.95Å; M125-V142 HydrophobicContact CB-CB 4.12Å; M125-V142 PolarHBondContact N-O 3.01Å; M125-V142 PolarHBondContact O-N 2.96Å; M125-L144 HydrophobicContact SD-CD1 4.46Å; M125-L144 HydrophobicContact SD-CD2 4.37Å |
| 126 | W | 97.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119 | 173.5 | -83.1 | 109.5 | 0 | 0 | 0 | 110.6 | Q113 E114 E116 R128 E139 K141 | Q113-W126 PolarHBondContact N-O 3.36Å; E114-W126 HydrophobicContact CG-CB 3.85Å; E114-W126 PolarHBondContact N-O 3.35Å; E114-W126 PolarHBondContact O-N 3.4Å; E116-W126 PolarHBondContact OE2-NE1 3.45Å; W126-R128 HydrophobicContact CB-CG 4.43Å; W126-E139 HydrophobicContact CZ3-CB 4.45Å; W126-K141 HydrophobicContact CD2-CB 4.43Å; W126-K141 HydrophobicContact CE3-CB 4.11Å; W126-K141 HydrophobicContact CH2-CB 3.86Å; W126-K141 HydrophobicContact CH2-CD 4.27Å; W126-K141 HydrophobicContact CZ2-CB 4.17Å; W126-K141 HydrophobicContact CZ2-CD 3.9Å; W126-K141 HydrophobicContact CZ2-CG 4.39Å; W126-K141 HydrophobicContact CZ3-CB 3.83Å |
| 127 | M | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 106.7 | 173 | -44.2 | -69.4 | -72.1 | 0 | 0 | 107.4 | F87 N92 V93 I111 W112 E139 T140 V142 | F87-M127 HydrophobicContact CE2-CE 4.23Å; F87-M127 HydrophobicContact CE2-SD 4.45Å; N92-M127 VanDerWaalsContact CA-CE 3.5Å; V93-M127 HydrophobicContact CG2-CB 4.35Å; V93-M127 HydrophobicContact CG2-CE 4.07Å; V93-M127 HydrophobicContact CG2-CG 3.89Å; I111-M127 CarbonylContact O-C 3.26Å; I111-M127 VanDerWaalsContact O-C 3.31Å; I111-M127 WeakPolarHBondContact O-CA 3.47Å; W112-M127 HydrophobicContact CB-CE 3.86Å; W112-M127 HydrophobicContact CB-SD 3.98Å; W112-M127 HydrophobicContact CE3-SD 3.84Å; M127-E139 CarbonylContact O-C 3.58Å; M127-E139 WeakPolarHBondContact O-CA 3.38Å; M127-T140 WeakPolarHBondContact CB-O 3.3Å; M127-T140 PolarHBondContact N-O 3.12Å; M127-T140 PolarHBondContact O-N 2.8Å; M127-V142 HydrophobicContact CG-CG2 3.82Å |
| 128 | R | 96.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -177.5 | -175 | -49.5 | -175.6 | 177.2 | -79.5 | -2.5 | 111.9 | I111 Q113 E114 W126 G130 E139 | I111-R128 WeakPolarHBondContact CA-O 3.24Å; I111-R128 WeakPolarHBondContact CB-O 3.36Å; I111-R128 PolarHBondContact N-O 2.87Å; I111-R128 PolarHBondContact O-N 3.01Å; Q113-R128 HydrophobicContact CB-CG 4.43Å; Q113-R128 HydrophobicContact CG-CB 3.96Å; Q113-R128 HydrophobicContact CG-CG 4.29Å; E114-R128 IonicContact OE1-CZ 2.9Å; E114-R128 IonicContact OE1-NE 3.93Å; E114-R128 PolarHBondContact OE1-NE 2.85Å; E114-R128 IonicContact OE1-NH2 3Å; E114-R128 PolarHBondContact OE1-NH2 3.29Å; W126-R128 HydrophobicContact CB-CG 4.43Å; R128-G130 PolarHBondContact O-N 2.85Å; R128-E139 HydrophobicContact CB-CG 4.32Å; R128-E139 HydrophobicContact CG-CG 4.48Å; R128-E139 IonicContact CZ-OE1 3.08Å; R128-E139 IonicContact NH1-OE1 3.08Å; R128-E139 PolarHBondContact NH1-OE1 3.23Å; R128-E139 IonicContact NH1-OE2 2.87Å; R128-E139 PolarHBondContact NH1-OE2 3.46Å |
| 129 | D | 95.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 20% | 0.198 | 29% | 0.289 | C | S | . | . | trans | 58.2 | 33.7 | 172.2 | -58 | -52.4 | 0 | 0 | 0 | 114.6 | V57 I111 Q113 | V57-D129 HydrophobicContact CG2-CB 3.63Å; I111-D129 WeakPolarHBondContact CD1-O 3.38Å; Q113-D129 PolarHBondContact NE2-OD2 2.81Å | ||
| 130 | G | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | -68 | -166.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K56 I108 R128 R138 | K56-G130 PolarHBondContact NZ-O 3.29Å; I108-G130 WeakPolarHBondContact O-CA 3.21Å; R128-G130 PolarHBondContact O-N 2.85Å; G130-R138 WeakPolarHBondContact CA-O 3.45Å; G130-R138 PolarHBondContact N-O 2.75Å | ||
| 131 | D | 95.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -61.7 | 150 | 179 | -72.4 | -13.3 | 0 | 0 | 0 | 111.7 | G107 I108 C133 R138 | G107-D131 WeakPolarHBondContact CA-OD2 3.39Å; I108-D131 PolarHBondContact N-OD2 2.91Å; I108-D131 PolarHBondContact O-N 3.25Å; D131-C133 PolarHBondContact O-N 2.91Å; D131-R138 WeakPolarHBondContact O-CG 3.34Å; D131-R138 PolarHBondContact O-N 3.25Å; D131-R138 PolarHBondContact O-NH1 3.35Å |
| 132 | T | 95.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135.2 | -179.3 | -49.8 | 0 | 0 | 0 | 0 | 110 | K56 R138 | K56-T132 VanDerWaalsContact NZ-N 3.15Å; K56-T132 PolarHBondContact NZ-OG1 3.27Å; T132-R138 PolarHBondContact O-NH1 3.24Å; T132-R138 VanDerWaalsContact O-NH1 3.09Å |
| 133 | C | 93.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 87.4 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | D131 T135 R136 R138 C161 | D131-C133 PolarHBondContact O-N 2.91Å; C133-T135 PolarHBondContact O-N 2.87Å; C133-R136 CarbonylContact C-O 3.58Å; C133-R136 WeakPolarHBondContact CA-O 3.47Å; C133-R136 PolarHBondContact N-O 2.96Å; C133-R136 PolarHBondContact O-N 3.4Å; C133-R138 HydrophobicContact CB-CG 3.76Å; C133-C161 HydrophobicContact CB-CB 3.59Å; C133-C161 WeakPolarHBondContact CB-SG 3.14Å; C133-C161 PolarHBondContact O-SG 2.79Å; C133-C161 VanDerWaalsContact O-SG 3.41Å; C133-C161 WeakPolarHBondContact SG-CB 3.39Å; C133-C161 CovalentContact SG-SG 2.02Å; C133-C161 PolarHBondContact SG-SG 2.83Å |
| 134 | G | 91.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 76% | 0.763 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -117.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 135 | T | 91.7 | Very high | 96.4 | Very high | 145 Ų | 145 | 45.7 Ų | 45.7 | 89% | 0.89 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.5 | -177.8 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | C133 | C133-T135 PolarHBondContact O-N 2.87Š|
| 136 | R | 94.3 | Very high | 96.4 | Very high | 134 Ų | 134 | 48.8 Ų | 48.8 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 161.9 | -178.9 | 62.8 | -176.8 | 66.9 | -175 | -0.9 | 111.3 | C133 C161 | C133-R136 CarbonylContact C-O 3.58Å; C133-R136 WeakPolarHBondContact CA-O 3.47Å; C133-R136 PolarHBondContact N-O 2.96Å; C133-R136 PolarHBondContact O-N 3.4Å; R136-C161 HydrophobicContact CG-CB 4.11Å |
| 137 | N | 96.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 153.4 | 166.6 | -68 | -30.1 | 0 | 0 | 0 | 109.2 | K56 | K56-N137 PolarHBondContact NZ-OD1 2.7Å |
| 138 | R | 97.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | trans | -63.5 | 140.1 | 169.4 | -68.1 | -178.7 | 176 | 79.6 | -3.8 | 110.1 | Y105 L109 G130 D131 T132 C133 C161 Y163 | Y105-R138 PolarHBondContact OH-NH1 2.99Å; Y105-R138 PolarHBondContact OH-NH2 3.4Å; L109-R138 CarbonylContact O-C 3.52Å; L109-R138 VanDerWaalsContact O-C 3.26Å; L109-R138 WeakPolarHBondContact O-CB 3.39Å; G130-R138 WeakPolarHBondContact CA-O 3.45Å; G130-R138 PolarHBondContact N-O 2.75Å; D131-R138 WeakPolarHBondContact O-CG 3.34Å; D131-R138 PolarHBondContact O-N 3.25Å; D131-R138 PolarHBondContact O-NH1 3.35Å; T132-R138 PolarHBondContact O-NH1 3.24Å; T132-R138 VanDerWaalsContact O-NH1 3.09Å; C133-R138 HydrophobicContact CB-CG 3.76Å; R138-C161 WeakPolarHBondContact CA-O 3.36Å; R138-C161 HydrophobicContact CG-CB 4.31Å; R138-Y163 HydrophobicContact CB-CE2 4.15Å; R138-Y163 HydrophobicContact CG-CE2 3.95Å | ||
| 139 | E | 97.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.7 | 174.7 | -58.1 | -169.9 | 142.1 | 0 | 0 | 109.7 | L109 W126 M127 R128 C161 I162 Y163 | L109-E139 CarbonylContact O-C 3.59Å; L109-E139 PolarHBondContact O-N 3.33Å; W126-E139 HydrophobicContact CZ3-CB 4.45Å; M127-E139 CarbonylContact O-C 3.58Å; M127-E139 WeakPolarHBondContact O-CA 3.38Å; R128-E139 HydrophobicContact CB-CG 4.32Å; R128-E139 HydrophobicContact CG-CG 4.48Å; R128-E139 IonicContact CZ-OE1 3.08Å; R128-E139 IonicContact NH1-OE1 3.08Å; R128-E139 PolarHBondContact NH1-OE1 3.23Å; R128-E139 IonicContact NH1-OE2 2.87Å; R128-E139 PolarHBondContact NH1-OE2 3.46Å; E139-C161 PolarHBondContact N-O 2.98Å; E139-I162 WeakPolarHBondContact O-CA 3.27Å; E139-Y163 PolarHBondContact O-N 3.29Å |
| 140 | T | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.4 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | V93 L109 M127 V142 Y163 V165 | V93-T140 HydrophobicContact CG1-CG2 4.43Å; V93-T140 HydrophobicContact CG2-CG2 4.14Å; L109-T140 WeakPolarHBondContact CB-OG1 3.3Å; L109-T140 PolarHBondContact O-OG1 3.23Å; M127-T140 WeakPolarHBondContact CB-O 3.3Å; M127-T140 PolarHBondContact N-O 3.12Å; M127-T140 PolarHBondContact O-N 2.8Å; T140-V142 HydrophobicContact CG2-CG2 4.39Å; T140-Y163 CarbonylContact C-O 3.5Å; T140-Y163 WeakPolarHBondContact CA-O 3.31Å; T140-V165 HydrophobicContact CG2-CB 4.09Å; T140-V165 HydrophobicContact CG2-CG2 3.45Å; T140-V165 VanDerWaalsContact CG2-CG2 3.45Å |
| 141 | K | 98.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.1 | 167.1 | 176.5 | 169.9 | 169.5 | 161.9 | 0 | 109.2 | E116 W126 V143 Y163 S164 V165 | E116-K141 IonicContact OE1-NZ 3.38Å; E116-K141 PolarHBondContact OE1-NZ 2.95Å; E116-K141 VanDerWaalsContact OE2-CD 3.28Å; E116-K141 WeakPolarHBondContact OE2-CD 3.18Å; E116-K141 WeakPolarHBondContact OE2-CE 3.19Å; E116-K141 IonicContact OE2-NZ 3.83Å; E116-K141 PolarHBondContact OE2-NZ 2.98Å; W126-K141 HydrophobicContact CD2-CB 4.43Å; W126-K141 HydrophobicContact CE3-CB 4.11Å; W126-K141 HydrophobicContact CH2-CB 3.86Å; W126-K141 HydrophobicContact CH2-CD 4.27Å; W126-K141 HydrophobicContact CZ2-CB 4.17Å; W126-K141 HydrophobicContact CZ2-CD 3.9Å; W126-K141 HydrophobicContact CZ2-CG 4.39Å; W126-K141 HydrophobicContact CZ3-CB 3.83Å; K141-V143 HydrophobicContact CG-CG2 4.41Å; K141-Y163 PolarHBondContact N-O 2.83Å; K141-S164 WeakPolarHBondContact O-CA 3.41Å; K141-V165 PolarHBondContact O-N 3.22Å |
| 142 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.3 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | F87 V93 G124 M125 M127 T140 L144 V165 F167 | F87-V142 HydrophobicContact CD1-CG1 4.5Å; F87-V142 HydrophobicContact CD2-CG2 4.37Å; F87-V142 HydrophobicContact CE1-CG1 3.79Å; F87-V142 HydrophobicContact CE2-CG1 4.42Å; F87-V142 HydrophobicContact CE2-CG2 3.89Å; F87-V142 HydrophobicContact CZ-CB 4.35Å; F87-V142 HydrophobicContact CZ-CG1 3.74Å; F87-V142 HydrophobicContact CZ-CG2 4.04Å; V93-V142 HydrophobicContact CG2-CG2 4.39Å; G124-V142 CarbonylContact C-O 3.5Å; G124-V142 WeakPolarHBondContact CA-O 3.31Å; M125-V142 HydrophobicContact CB-CB 4.12Å; M125-V142 PolarHBondContact N-O 3.01Å; M125-V142 PolarHBondContact O-N 2.96Å; M127-V142 HydrophobicContact CG-CG2 3.82Å; T140-V142 HydrophobicContact CG2-CG2 4.39Å; V142-L144 HydrophobicContact CG1-CD2 4.36Å; V142-V165 CarbonylContact C-O 3.43Å; V142-V165 WeakPolarHBondContact CA-O 3.3Å; V142-V165 HydrophobicContact CG1-CG1 4.21Å; V142-V165 HydrophobicContact CG2-CB 4.2Å; V142-V165 HydrophobicContact CG2-CG1 4.4Å; V142-F167 HydrophobicContact CG1-CB 3.95Å |
| 143 | V | 98.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.3 | 175 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | K141 V145 V165 F167 | K141-V143 HydrophobicContact CG-CG2 4.41Å; V143-V145 HydrophobicContact CG1-CG2 4.27Å; V143-V165 PolarHBondContact N-O 2.86Å; V143-F167 PolarHBondContact O-N 2.9Å |
| 144 | L | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.2 | 178.7 | -56.3 | 175.7 | 0 | 0 | 0 | 109.8 | L68 W115 M125 V142 F167 V172 L178 | L68-L144 HydrophobicContact CD1-CD1 3.89Å; W115-L144 HydrophobicContact CH2-CD1 4.22Å; W115-L144 HydrophobicContact CZ3-CD1 4.03Å; M125-L144 HydrophobicContact SD-CD1 4.46Å; M125-L144 HydrophobicContact SD-CD2 4.37Å; V142-L144 HydrophobicContact CG1-CD2 4.36Å; L144-F167 CarbonylContact C-O 3.59Å; L144-F167 WeakPolarHBondContact CA-O 3.38Å; L144-F167 HydrophobicContact CD2-CB 4.28Å; L144-F167 HydrophobicContact CD2-CD1 3.73Å; L144-F167 HydrophobicContact CD2-CG 4.47Å; L144-V172 HydrophobicContact CB-CG1 4.03Å; L144-V172 HydrophobicContact CB-CG2 4.24Å; L144-V172 HydrophobicContact CD1-CG1 4.07Å; L144-L178 HydrophobicContact CD1-CD2 4.44Å |
| 145 | V | 97.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.9 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | V143 S147 T166 F167 E168 T169 V172 | V143-V145 HydrophobicContact CG1-CG2 4.27Å; V145-S147 PolarHBondContact O-N 3.14Å; V145-T166 HydrophobicContact CB-CG2 4.35Å; V145-T166 HydrophobicContact CG2-CG2 3.63Å; V145-F167 PolarHBondContact N-O 3.28Å; V145-E168 HydrophobicContact CB-CG 4.22Å; V145-E168 HydrophobicContact CG1-CG 4.4Å; V145-E168 CarbonylContact O-C 3.54Å; V145-E168 VanDerWaalsContact O-CA 3.26Å; V145-E168 WeakPolarHBondContact O-CA 3.41Å; V145-T169 PolarHBondContact O-N 3.23Å; V145-V172 VanDerWaalsContact C-CG2 3.48Å |
| 146 | C | 97.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 46% | 0.459 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.1 | 176.1 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | V172 C173 | C146-V172 HydrophobicContact CB-CG2 4.47Å; C146-C173 WeakPolarHBondContact CA-SG 3.15Å; C146-C173 HydrophobicContact CB-CB 3.92Å; C146-C173 WeakPolarHBondContact CB-SG 3.4Å; C146-C173 WeakPolarHBondContact SG-CA 3.39Å; C146-C173 WeakPolarHBondContact SG-CB 3.26Å; C146-C173 CovalentContact SG-SG 2.03Å; C146-C173 PolarHBondContact SG-SG 3.41Å |
| 147 | S | 97.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | trans | -156.8 | 170.2 | 173.7 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | V145 S149 E168 T169 P170 | V145-S147 PolarHBondContact O-N 3.14Å; S147-S149 VanDerWaalsContact C-N 3.28Å; S147-S149 PolarHBondContact O-N 2.99Å; S147-E168 WeakPolarHBondContact CB-OE2 3.42Å; S147-E168 PolarHBondContact OG-OE2 3.06Å; S147-T169 PolarHBondContact N-O 2.88Å; S147-T169 CarbonylContact O-C 3.5Å; S147-P170 WeakPolarHBondContact O-CA 3.48Å; S147-P170 VanDerWaalsContact O-CB 3.27Å; S147-P170 WeakPolarHBondContact O-CB 3.24Å; S147-P170 WeakPolarHBondContact O-CD 3.44Å | ||
| 148 | N | 97.1 | Very high | 97.4 | Very high | 165 Ų | 165 | 53.3 Ų | 53.3 | 88% | 0.882 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -74.6 | -17.9 | -179.7 | -66.8 | -24.5 | 0 | 0 | 0 | 113.4 | ||
| 149 | S | 96.8 | Very high | 97.3 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -136.7 | 156.7 | -179.1 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | S147 E168 | S147-S149 VanDerWaalsContact C-N 3.28Å; S147-S149 PolarHBondContact O-N 2.99Å; S149-E168 CarbonylContact O-C 3.5Å |
| 150 | S | 97.9 | Very high | 97.2 | Very high | 39 Ų | 39 | 57 Ų | 57 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | trans | -87.2 | 113.3 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 110 | F76 E168 T169 | F76-S150 WeakPolarHBondContact CD1-O 3.32Å; F76-S150 VanDerWaalsContact CE1-O 3.31Å; F76-S150 WeakPolarHBondContact CE1-O 3.39Å; S150-E168 CarbonylContact C-O 3.56Å; S150-E168 WeakPolarHBondContact CA-O 3.37Å; S150-T169 PolarHBondContact OG-OG1 3.22Å | ||
| 151 | K | 97.6 | Very high | 97.1 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 152.2 | -178.5 | 57.3 | 174.5 | -179.1 | 172.4 | 0 | 112.1 | V153 F167 E168 | K151-V153 HydrophobicContact CD-CG2 4.08Å; K151-V153 HydrophobicContact CG-CG2 3.83Å; K151-F167 VanDerWaalsContact O-CD2 3.3Å; K151-F167 WeakPolarHBondContact O-CD2 3.39Å; K151-E168 WeakPolarHBondContact CE-OE2 3.41Å; K151-E168 HydrophobicContact CG-CB 4.14Å; K151-E168 PolarHBondContact N-O 2.89Å; K151-E168 IonicContact NZ-OE2 2.62Å; K151-E168 PolarHBondContact NZ-OE2 2.85Å; K151-E168 PolarHBondContact O-N 3.29Å |
| 152 | L | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.5 | 169.7 | -172.8 | 62.9 | 0 | 0 | 0 | 108.5 | F76 L78 F87 V155 V165 | F76-L152 HydrophobicContact CB-CB 4.32Å; L78-L152 HydrophobicContact CB-CB 3.99Å; L78-L152 HydrophobicContact CB-CD2 3.61Å; L78-L152 HydrophobicContact CB-CG 3.7Å; L78-L152 HydrophobicContact CD2-CG 4.32Å; F87-L152 HydrophobicContact CB-CD1 4.24Å; F87-L152 HydrophobicContact CB-CD2 4.34Å; L152-V155 HydrophobicContact CD1-CG2 4.48Å; L152-V155 HydrophobicContact CD2-CG2 4.31Å; L152-V155 HydrophobicContact CG-CG2 4.45Å; L152-V165 HydrophobicContact CD1-CG1 3.19Å |
| 153 | V | 96.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -39.1 | -170.2 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | L78 K151 T166 E168 | L78-V153 WeakPolarHBondContact CD2-O 3.48Å; K151-V153 HydrophobicContact CD-CG2 4.08Å; K151-V153 HydrophobicContact CG-CG2 3.83Å; V153-T166 PolarHBondContact N-O 3.05Å; V153-E168 HydrophobicContact CG2-CB 3.83Å; V153-E168 VanDerWaalsContact CG2-CD 3.48Å; V153-E168 HydrophobicContact CG2-CG 3.65Å |
| 154 | Q | 96.5 | Very high | 96.9 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 140.4 | -176.4 | -173 | 178 | -3.4 | 0 | 0 | 110.5 | V165 T166 | Q154-V165 WeakPolarHBondContact O-CA 3.35Å; Q154-T166 PolarHBondContact O-N 3.04Å |
| 155 | V | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.6 | 169.3 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | L78 Y85 L152 V165 | L78-V155 HydrophobicContact CD2-CG2 4.28Å; Y85-V155 HydrophobicContact CD1-CB 4.4Å; Y85-V155 HydrophobicContact CD1-CG1 3.87Å; Y85-V155 HydrophobicContact CD1-CG2 4.28Å; Y85-V155 HydrophobicContact CD2-CB 4.09Å; Y85-V155 HydrophobicContact CD2-CG1 4.39Å; Y85-V155 HydrophobicContact CD2-CG2 3.91Å; Y85-V155 HydrophobicContact CE1-CB 4.47Å; Y85-V155 HydrophobicContact CE1-CG1 3.78Å; Y85-V155 HydrophobicContact CE2-CB 4.19Å; Y85-V155 HydrophobicContact CE2-CG1 4.33Å; Y85-V155 HydrophobicContact CG-CB 4.2Å; Y85-V155 HydrophobicContact CG-CG1 4.17Å; Y85-V155 HydrophobicContact CG-CG2 3.78Å; L152-V155 HydrophobicContact CD1-CG2 4.48Å; L152-V155 HydrophobicContact CD2-CG2 4.31Å; L152-V155 HydrophobicContact CG-CG2 4.45Å; V155-V165 HydrophobicContact CG1-CG2 4.13Å; V155-V165 HydrophobicContact CG2-CG2 4.15Å |
| 156 | S | 96.5 | Very high | 97 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.6 | 178.1 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | P158 Y163 S164 | S156-P158 VanDerWaalsContact C-CD 3.45Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.17Å; S156-Y163 CarbonylContact O-C 3.55Å; S156-Y163 VanDerWaalsContact O-CA 3.29Å; S156-Y163 WeakPolarHBondContact O-CA 3.34Å; S156-S164 PolarHBondContact N-O 3.28Å; S156-S164 PolarHBondContact O-N 2.86Å; S156-S164 PolarHBondContact OG-O 3.1Å |
| 157 | E | 96.3 | Very high | 97 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 81.3 | 172.7 | -171.9 | 172.8 | 173.5 | 0 | 0 | 108.5 | S159 T160 C161 Y163 | E157-S159 VanDerWaalsContact CG-O 3.28Å; E157-S159 WeakPolarHBondContact CG-O 3.24Å; E157-S159 PolarHBondContact O-N 2.76Å; E157-T160 WeakPolarHBondContact OE1-CA 3.3Å; E157-C161 PolarHBondContact OE1-N 2.87Å; E157-Y163 HydrophobicContact CB-CD1 3.93Å; E157-Y163 HydrophobicContact CB-CE1 3.84Å; E157-Y163 HydrophobicContact CG-CD1 4.11Å; E157-Y163 HydrophobicContact CG-CE1 3.79Å; E157-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E157-Y163 WeakPolarHBondContact OE2-CE1 3.46Å; E157-Y163 PolarHBondContact OE2-OH 2.8Å |
| 158 | P | 95.8 | Very high | 97 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 59% | 0.591 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -26.8 | -178.5 | 23.2 | -36.1 | 0 | 0 | 0 | 113.5 | S156 I162 | S156-P158 VanDerWaalsContact C-CD 3.45Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.17Å; P158-I162 WeakPolarHBondContact CD-O 3.29Å |
| 159 | S | 95.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 156.4 | 171.3 | 67.2 | 0 | 0 | 0 | 0 | 109.7 | E157 C161 I162 | E157-S159 VanDerWaalsContact CG-O 3.28Å; E157-S159 WeakPolarHBondContact CG-O 3.24Å; E157-S159 PolarHBondContact O-N 2.76Å; S159-C161 PolarHBondContact O-N 2.88Å; S159-I162 CarbonylContact O-C 3.46Å; S159-I162 PolarHBondContact O-N 3.45Å; S159-I162 VanDerWaalsContact OG-CB 3.31Å; S159-I162 WeakPolarHBondContact OG-CB 3.28Å; S159-I162 WeakPolarHBondContact OG-CD1 3.36Å; S159-I162 WeakPolarHBondContact OG-CG1 3.35Å |
| 160 | T | 94.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 125.9 | -175.4 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | E157 I162 | E157-T160 WeakPolarHBondContact OE1-CA 3.3Å; T160-I162 PolarHBondContact O-N 3.22Å |
| 161 | C | 95.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 4.4 | -176.9 | -37.6 | 0 | 0 | 0 | 0 | 115.9 | C133 R136 R138 E139 E157 S159 | C133-C161 HydrophobicContact CB-CB 3.59Å; C133-C161 WeakPolarHBondContact CB-SG 3.14Å; C133-C161 PolarHBondContact O-SG 2.79Å; C133-C161 VanDerWaalsContact O-SG 3.41Å; C133-C161 WeakPolarHBondContact SG-CB 3.39Å; C133-C161 CovalentContact SG-SG 2.02Å; C133-C161 PolarHBondContact SG-SG 2.83Å; R136-C161 HydrophobicContact CG-CB 4.11Å; R138-C161 WeakPolarHBondContact CA-O 3.36Å; R138-C161 HydrophobicContact CG-CB 4.31Å; E139-C161 PolarHBondContact N-O 2.98Å; E157-C161 PolarHBondContact OE1-N 2.87Å; S159-C161 PolarHBondContact O-N 2.88Å |
| 162 | I | 97.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.205 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.9 | 174.8 | -54.4 | -173.7 | 0 | 0 | 0 | 108.4 | E139 P158 S159 T160 | E139-I162 WeakPolarHBondContact O-CA 3.27Å; P158-I162 WeakPolarHBondContact CD-O 3.29Å; S159-I162 CarbonylContact O-C 3.46Å; S159-I162 PolarHBondContact O-N 3.45Å; S159-I162 VanDerWaalsContact OG-CB 3.31Å; S159-I162 WeakPolarHBondContact OG-CB 3.28Å; S159-I162 WeakPolarHBondContact OG-CD1 3.36Å; S159-I162 WeakPolarHBondContact OG-CG1 3.35Å; T160-I162 PolarHBondContact O-N 3.22Å |
| 163 | Y | 97.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 150.1 | -178.1 | -59.4 | -89.4 | 0 | 0 | 0 | 110.7 | L109 R138 E139 T140 K141 S156 E157 | L109-Y163 HydrophobicContact CB-CD2 4.21Å; L109-Y163 HydrophobicContact CD1-CD1 4.11Å; L109-Y163 HydrophobicContact CD1-CD2 4.36Å; L109-Y163 HydrophobicContact CD1-CE1 4.39Å; L109-Y163 HydrophobicContact CD1-CG 4.11Å; L109-Y163 HydrophobicContact CD2-CD2 4.21Å; L109-Y163 HydrophobicContact CD2-CE1 4.37Å; L109-Y163 HydrophobicContact CD2-CE2 3.8Å; R138-Y163 HydrophobicContact CB-CE2 4.15Å; R138-Y163 HydrophobicContact CG-CE2 3.95Å; E139-Y163 PolarHBondContact O-N 3.29Å; T140-Y163 CarbonylContact C-O 3.5Å; T140-Y163 WeakPolarHBondContact CA-O 3.31Å; K141-Y163 PolarHBondContact N-O 2.83Å; S156-Y163 CarbonylContact O-C 3.55Å; S156-Y163 VanDerWaalsContact O-CA 3.29Å; S156-Y163 WeakPolarHBondContact O-CA 3.34Å; E157-Y163 HydrophobicContact CB-CD1 3.93Å; E157-Y163 HydrophobicContact CB-CE1 3.84Å; E157-Y163 HydrophobicContact CG-CD1 4.11Å; E157-Y163 HydrophobicContact CG-CE1 3.79Å; E157-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E157-Y163 WeakPolarHBondContact OE2-CE1 3.46Å; E157-Y163 PolarHBondContact OE2-OH 2.8Å |
| 164 | S | 98.1 | Very high | 97 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.1 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | K141 S156 | K141-S164 WeakPolarHBondContact O-CA 3.41Å; S156-S164 PolarHBondContact N-O 3.28Å; S156-S164 PolarHBondContact O-N 2.86Å; S156-S164 PolarHBondContact OG-O 3.1Å |
| 165 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.9 | -177.1 | 167.6 | 0 | 0 | 0 | 0 | 109.1 | T140 K141 V142 V143 L152 Q154 V155 | T140-V165 HydrophobicContact CG2-CB 4.09Å; T140-V165 HydrophobicContact CG2-CG2 3.45Å; T140-V165 VanDerWaalsContact CG2-CG2 3.45Å; K141-V165 PolarHBondContact O-N 3.22Å; V142-V165 CarbonylContact C-O 3.43Å; V142-V165 WeakPolarHBondContact CA-O 3.3Å; V142-V165 HydrophobicContact CG1-CG1 4.21Å; V142-V165 HydrophobicContact CG2-CB 4.2Å; V142-V165 HydrophobicContact CG2-CG1 4.4Å; V143-V165 PolarHBondContact N-O 2.86Å; L152-V165 HydrophobicContact CD1-CG1 3.19Å; Q154-V165 WeakPolarHBondContact O-CA 3.35Å; V155-V165 HydrophobicContact CG1-CG2 4.13Å; V155-V165 HydrophobicContact CG2-CG2 4.15Å |
| 166 | T | 98.3 | Very high | 96.7 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.6 | 171.4 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | V145 V153 Q154 | V145-T166 HydrophobicContact CB-CG2 4.35Å; V145-T166 HydrophobicContact CG2-CG2 3.63Å; V153-T166 PolarHBondContact N-O 3.05Å; Q154-T166 PolarHBondContact O-N 3.04Å |
| 167 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | 177.9 | -177.8 | -105.8 | 0 | 0 | 0 | 110.2 | L71 F76 F87 V142 V143 L144 V145 K151 T169 | L71-F167 HydrophobicContact CD1-CE1 3.98Å; F76-F167 HydrophobicContact CB-CE2 3.94Å; F76-F167 HydrophobicContact CD1-CE2 4.05Å; F76-F167 HydrophobicContact CD1-CZ 4.36Å; F76-F167 AromaticContact CD2-CE2 3.44Å; F76-F167 HydrophobicContact CD2-CE2 3.44Å; F76-F167 VanDerWaalsContact CD2-CE2 3.44Å; F76-F167 AromaticContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CE1-CE2 4.43Å; F76-F167 HydrophobicContact CE1-CZ 4.29Å; F76-F167 AromaticContact CE2-CE2 3.89Å; F76-F167 HydrophobicContact CE2-CE2 3.89Å; F76-F167 AromaticContact CE2-CZ 3.55Å; F76-F167 HydrophobicContact CE2-CZ 3.55Å; F76-F167 AromaticContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CZ 4.06Å; F76-F167 HydrophobicContact CZ-CE2 4.36Å; F76-F167 AromaticContact CZ-CZ 3.9Å; F76-F167 HydrophobicContact CZ-CZ 3.9Å; F87-F167 HydrophobicContact CD1-CB 4.2Å; F87-F167 AromaticContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CE2 4.19Å; F87-F167 AromaticContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-F167 HydrophobicContact CE1-CD1 4.06Å; F87-F167 AromaticContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CE2 4.41Å; F87-F167 AromaticContact CE1-CG 3.69Å; F87-F167 HydrophobicContact CE1-CG 3.69Å; V142-F167 HydrophobicContact CG1-CB 3.95Å; V143-F167 PolarHBondContact O-N 2.9Å; L144-F167 CarbonylContact C-O 3.59Å; L144-F167 WeakPolarHBondContact CA-O 3.38Å; L144-F167 HydrophobicContact CD2-CB 4.28Å; L144-F167 HydrophobicContact CD2-CD1 3.73Å; L144-F167 HydrophobicContact CD2-CG 4.47Å; V145-F167 PolarHBondContact N-O 3.28Å; K151-F167 VanDerWaalsContact O-CD2 3.3Å; K151-F167 WeakPolarHBondContact O-CD2 3.39Å; F167-T169 HydrophobicContact CD1-CG2 4.24Å; F167-T169 HydrophobicContact CE1-CG2 4.07Å |
| 168 | E | 98.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138.5 | 177.1 | -87.1 | -175.1 | -161.7 | 0 | 0 | 110.4 | V145 S147 S149 S150 K151 V153 | V145-E168 HydrophobicContact CB-CG 4.22Å; V145-E168 HydrophobicContact CG1-CG 4.4Å; V145-E168 CarbonylContact O-C 3.54Å; V145-E168 VanDerWaalsContact O-CA 3.26Å; V145-E168 WeakPolarHBondContact O-CA 3.41Å; S147-E168 WeakPolarHBondContact CB-OE2 3.42Å; S147-E168 PolarHBondContact OG-OE2 3.06Å; S149-E168 CarbonylContact O-C 3.5Å; S150-E168 CarbonylContact C-O 3.56Å; S150-E168 WeakPolarHBondContact CA-O 3.37Å; K151-E168 WeakPolarHBondContact CE-OE2 3.41Å; K151-E168 HydrophobicContact CG-CB 4.14Å; K151-E168 PolarHBondContact N-O 2.89Å; K151-E168 IonicContact NZ-OE2 2.62Å; K151-E168 PolarHBondContact NZ-OE2 2.85Å; K151-E168 PolarHBondContact O-N 3.29Å; V153-E168 HydrophobicContact CG2-CB 3.83Å; V153-E168 VanDerWaalsContact CG2-CD 3.48Å; V153-E168 HydrophobicContact CG2-CG 3.65Å |
| 169 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 143.9 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | V145 S147 S150 F167 L171 V172 | V145-T169 PolarHBondContact O-N 3.23Å; S147-T169 PolarHBondContact N-O 2.88Å; S147-T169 CarbonylContact O-C 3.5Å; S150-T169 PolarHBondContact OG-OG1 3.22Å; F167-T169 HydrophobicContact CD1-CG2 4.24Å; F167-T169 HydrophobicContact CE1-CG2 4.07Å; T169-L171 HydrophobicContact CG2-CB 4.23Å; T169-L171 PolarHBondContact O-N 3.21Å; T169-L171 WeakPolarHBondContact OG1-CG 3.48Å; T169-L171 PolarHBondContact OG1-N 2.75Å; T169-V172 HydrophobicContact CG2-CB 4.43Å; T169-V172 HydrophobicContact CG2-CG1 3.92Å; T169-V172 HydrophobicContact CG2-CG2 3.86Å |
| 170 | P | 97.8 | Very high | 96.8 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -68.2 | -15 | 174.9 | 27.2 | -35.8 | 0 | 0 | 0 | 113.2 | S147 V172 C173 | S147-P170 WeakPolarHBondContact O-CA 3.48Å; S147-P170 VanDerWaalsContact O-CB 3.27Å; S147-P170 WeakPolarHBondContact O-CB 3.24Å; S147-P170 WeakPolarHBondContact O-CD 3.44Å; P170-V172 PolarHBondContact O-N 3.43Å; P170-C173 WeakPolarHBondContact O-CB 3.39Å; P170-C173 PolarHBondContact O-N 3.2Å |
| 171 | L | 97.1 | Very high | 97 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -70.5 | -18.7 | -174.9 | -60.7 | 179.9 | 0 | 0 | 0 | 113.2 | H67 L68 R70 L71 T169 | H67-L171 PolarHBondContact CD2-O 2.89Å; H67-L171 PolarHBondContact NE2-O 3.41Å; L68-L171 HydrophobicContact CD2-CB 3.71Å; L68-L171 HydrophobicContact CD2-CD1 4.16Å; R70-L171 HydrophobicContact CG-CD1 3.75Å; L71-L171 HydrophobicContact CD1-CD1 3.94Å; L71-L171 HydrophobicContact CD2-CD1 3.87Å; L71-L171 HydrophobicContact CG-CD1 3.72Å; T169-L171 HydrophobicContact CG2-CB 4.23Å; T169-L171 PolarHBondContact O-N 3.21Å; T169-L171 WeakPolarHBondContact OG1-CG 3.48Å; T169-L171 PolarHBondContact OG1-N 2.75Å |
| 172 | V | 97.3 | Very high | 97 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -107.8 | 15 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | L68 L144 V145 C146 T169 P170 S177 L178 | L68-V172 HydrophobicContact CD2-CG1 3.97Å; L144-V172 HydrophobicContact CB-CG1 4.03Å; L144-V172 HydrophobicContact CB-CG2 4.24Å; L144-V172 HydrophobicContact CD1-CG1 4.07Å; V145-V172 VanDerWaalsContact C-CG2 3.48Å; C146-V172 HydrophobicContact CB-CG2 4.47Å; T169-V172 HydrophobicContact CG2-CB 4.43Å; T169-V172 HydrophobicContact CG2-CG1 3.92Å; T169-V172 HydrophobicContact CG2-CG2 3.86Å; P170-V172 PolarHBondContact O-N 3.43Å; V172-S177 VanDerWaalsContact CA-OG 3.28Å; V172-S177 WeakPolarHBondContact CA-OG 3.19Å; V172-S177 PolarHBondContact O-OG 3.48Å; V172-L178 HydrophobicContact CB-CD1 4.25Å; V172-L178 HydrophobicContact CB-CD2 4.37Å; V172-L178 HydrophobicContact CB-CG 4.35Å; V172-L178 HydrophobicContact CG1-CD1 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.84Å; V172-L178 HydrophobicContact CG1-CG 4.36Å |
| 173 | C | 96.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 37% | 0.365 | 24% | 0.242 | S | C | . | . | trans | -80.4 | -23 | -177.1 | -71.1 | 0 | 0 | 0 | 0 | 114.5 | C146 P170 | C146-C173 WeakPolarHBondContact CA-SG 3.15Å; C146-C173 HydrophobicContact CB-CB 3.92Å; C146-C173 WeakPolarHBondContact CB-SG 3.4Å; C146-C173 WeakPolarHBondContact SG-CA 3.39Å; C146-C173 WeakPolarHBondContact SG-CB 3.26Å; C146-C173 CovalentContact SG-SG 2.03Å; C146-C173 PolarHBondContact SG-SG 3.41Å; P170-C173 WeakPolarHBondContact O-CB 3.39Å; P170-C173 PolarHBondContact O-N 3.2Å | ||
| 174 | H | 96.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 44 Ų | 44 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -75.6 | 136.2 | 178.4 | -170.4 | -87.9 | 0 | 0 | 0 | 109.4 | H176 S177 | H174-H176 AromaticContact CE1-CG 3.91Å; H174-H176 AromaticContact CE1-ND1 4Å; H174-H176 PolarHBondContact ND1-N 3.38Å; H174-H176 VanDerWaalsContact ND1-N 3.18Å; H174-H176 PolarHBondContact O-N 3.29Å; H174-S177 WeakPolarHBondContact O-CB 3.42Å; H174-S177 PolarHBondContact O-N 3.43Å; H174-S177 PolarHBondContact O-OG 3.49Å |
| 175 | P | 93.3 | Very high | 96.8 | Very high | 106 Ų | 106 | 46.8 Ų | 46.8 | 69% | 0.688 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.7 | -176.4 | 22.2 | -34.9 | 0 | 0 | 0 | 113.5 | ||
| 176 | H | 94.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 54.8 Ų | 54.8 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.6 | -179.5 | -54 | 170.6 | 0 | 0 | 0 | 114.2 | H174 L178 L179 | H174-H176 AromaticContact CE1-CG 3.91Å; H174-H176 AromaticContact CE1-ND1 4Å; H174-H176 PolarHBondContact ND1-N 3.38Å; H174-H176 VanDerWaalsContact ND1-N 3.18Å; H174-H176 PolarHBondContact O-N 3.29Å; H176-L178 VanDerWaalsContact C-N 3.25Å; H176-L178 PolarHBondContact O-N 3.38Å; H176-L179 HydrophobicContact CB-CD1 3.71Å; H176-L179 HydrophobicContact CB-CG 4.22Å |
| 177 | S | 95.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.5 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 113 | H67 V172 H174 | H67-S177 PolarHBondContact CE1-O 3.02Å; V172-S177 VanDerWaalsContact CA-OG 3.28Å; V172-S177 WeakPolarHBondContact CA-OG 3.19Å; V172-S177 PolarHBondContact O-OG 3.48Å; H174-S177 WeakPolarHBondContact O-CB 3.42Å; H174-S177 PolarHBondContact O-N 3.43Å; H174-S177 PolarHBondContact O-OG 3.49Å |
| 178 | L | 96.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 14.9 | -175.6 | -62.7 | 177 | 0 | 0 | 0 | 113.1 | T121 F122 L144 V172 H176 | T121-L178 CarbonylContact C-O 3.57Å; T121-L178 VanDerWaalsContact CA-O 3.24Å; T121-L178 WeakPolarHBondContact CA-O 3.49Å; F122-L178 HydrophobicContact CB-CB 4.26Å; F122-L178 HydrophobicContact CB-CD2 4.17Å; F122-L178 WeakPolarHBondContact CD2-O 3.38Å; F122-L178 PolarHBondContact N-O 2.88Å; L144-L178 HydrophobicContact CD1-CD2 4.44Å; V172-L178 HydrophobicContact CB-CD1 4.25Å; V172-L178 HydrophobicContact CB-CD2 4.37Å; V172-L178 HydrophobicContact CB-CG 4.35Å; V172-L178 HydrophobicContact CG1-CD1 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.84Å; V172-L178 HydrophobicContact CG1-CG 4.36Å; H176-L178 VanDerWaalsContact C-N 3.25Å; H176-L178 PolarHBondContact O-N 3.38Å |
| 179 | L | 97 | Very high | 96.7 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -72.3 | 138.2 | 173.2 | -61 | -178.9 | 0 | 0 | 0 | 110.2 | T121 H176 P182 T183 | T121-L179 HydrophobicContact CG2-CD2 3.82Å; H176-L179 HydrophobicContact CB-CD1 3.71Å; H176-L179 HydrophobicContact CB-CG 4.22Å; L179-P182 HydrophobicContact CB-CG 4Å; L179-P182 HydrophobicContact CD1-CG 4.48Å; L179-T183 WeakPolarHBondContact O-CG2 3.28Å |
| 180 | V | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -77.9 | -46.6 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | I117 N120 F122 T183 L184 W192 F217 L222 | I117-V180 HydrophobicContact CD1-CG1 4.35Å; I117-V180 HydrophobicContact CD1-CG2 4.07Å; I117-V180 HydrophobicContact CG1-CG2 4.1Å; I117-V180 HydrophobicContact CG2-CG2 3.8Å; N120-V180 WeakPolarHBondContact O-CG2 3.29Å; N120-V180 PolarHBondContact O-N 3.1Å; F122-V180 HydrophobicContact CD1-CG2 4.25Å; F122-V180 HydrophobicContact CD2-CG2 4.01Å; F122-V180 HydrophobicContact CE1-CG2 4.07Å; F122-V180 HydrophobicContact CE2-CB 4.2Å; F122-V180 HydrophobicContact CE2-CG2 3.79Å; F122-V180 HydrophobicContact CG-CG2 4.23Å; F122-V180 HydrophobicContact CZ-CB 4.26Å; F122-V180 HydrophobicContact CZ-CG1 4.12Å; F122-V180 HydrophobicContact CZ-CG2 3.83Å; V180-T183 WeakPolarHBondContact O-CB 3.36Å; V180-T183 PolarHBondContact O-N 3.37Å; V180-T183 PolarHBondContact O-OG1 3.13Å; V180-L184 HydrophobicContact CG1-CD2 4.48Å; V180-W192 HydrophobicContact CB-CH2 4.2Å; V180-W192 HydrophobicContact CB-CZ3 4.09Å; V180-W192 HydrophobicContact CG1-CH2 4.4Å; V180-W192 HydrophobicContact CG1-CZ3 3.86Å; V180-F217 HydrophobicContact CG1-CD1 4.09Å; V180-F217 HydrophobicContact CG1-CE1 3.77Å; V180-F217 HydrophobicContact CG1-CZ 4.25Å; V180-L222 HydrophobicContact CG1-CD1 3.69Å |
| 181 | Y | 97.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -50 | -46.9 | -174.2 | -177.4 | -87.5 | 0 | 0 | 0 | 114.3 | T183 L184 Q189 W192 D193 | Y181-T183 PolarHBondContact O-N 2.98Å; Y181-T183 VanDerWaalsContact O-N 3.16Å; Y181-L184 WeakPolarHBondContact O-CB 3.47Å; Y181-L184 PolarHBondContact O-N 2.81Å; Y181-Q189 HydrophobicContact CE1-CG 4.2Å; Y181-Q189 HydrophobicContact CE2-CB 4.15Å; Y181-Q189 HydrophobicContact CE2-CG 4.21Å; Y181-Q189 PolarHBondContact O-NE2 3.44Å; Y181-W192 HydrophobicContact CD2-CB 4.4Å; Y181-W192 AromaticContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CE3 4.08Å; Y181-W192 HydrophobicContact CD2-CG 4Å; Y181-W192 HydrophobicContact CE2-CB 4.34Å; Y181-W192 HydrophobicContact CE2-CG 4.27Å; Y181-D193 WeakPolarHBondContact CE2-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD2 3.18Å; Y181-D193 VanDerWaalsContact OH-OD2 3.05Å |
| 182 | P | 96.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -69.4 | -12.7 | 179.5 | -19.1 | 34.2 | 0 | 0 | 0 | 114.7 | L179 | L179-P182 HydrophobicContact CB-CG 4Å; L179-P182 HydrophobicContact CD1-CG 4.48Å |
| 183 | T | 94.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -87.8 | -14 | 178.5 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | P65 F122 L179 V180 Y181 | P65-T183 HydrophobicContact CB-CG2 3.92Å; P65-T183 HydrophobicContact CG-CG2 3.96Å; F122-T183 HydrophobicContact CE2-CG2 3.8Å; F122-T183 HydrophobicContact CZ-CG2 4.41Å; L179-T183 WeakPolarHBondContact O-CG2 3.28Å; V180-T183 WeakPolarHBondContact O-CB 3.36Å; V180-T183 PolarHBondContact O-N 3.37Å; V180-T183 PolarHBondContact O-OG1 3.13Å; Y181-T183 PolarHBondContact O-N 2.98Å; Y181-T183 VanDerWaalsContact O-N 3.16Å |
| 184 | L | 96.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -78.5 | 154.3 | 178.4 | -59.2 | -179.5 | 0 | 0 | 0 | 111.1 | V180 Y181 L188 Q189 W192 V216 A220 L222 | V180-L184 HydrophobicContact CG1-CD2 4.48Å; Y181-L184 WeakPolarHBondContact O-CB 3.47Å; Y181-L184 PolarHBondContact O-N 2.81Å; L184-L188 HydrophobicContact CB-CB 4.08Å; L184-L188 HydrophobicContact CD1-CB 4.43Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; L184-Q189 HydrophobicContact CB-CG 3.85Å; L184-Q189 PolarHBondContact O-NE2 3.26Å; L184-W192 HydrophobicContact CD1-CE3 3.39Å; L184-W192 HydrophobicContact CD1-CZ3 3.79Å; L184-V216 HydrophobicContact CD1-CG1 3.99Å; L184-A220 HydrophobicContact CD2-CB 3.5Å; L184-A220 VanDerWaalsContact CD2-CB 3.5Å; L184-L222 HydrophobicContact CD2-CD1 3.98Å |
| 185 | N | 96.6 | Very high | 96.9 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | trans | -75.2 | 166 | 171 | 67.4 | 31.9 | 0 | 0 | 0 | 110.9 | K187 L188 Q189 | N185-K187 PolarHBondContact O-N 2.93Å; N185-K187 PolarHBondContact OD1-N 3.27Å; N185-L188 PolarHBondContact O-N 2.87Å; N185-L188 VanDerWaalsContact O-N 3.16Å; N185-L188 WeakPolarHBondContact OD1-CB 3.43Å; N185-L188 VanDerWaalsContact OD1-CG 3.24Å; N185-L188 WeakPolarHBondContact OD1-CG 3.49Å; N185-L188 PolarHBondContact OD1-N 2.85Å; N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 3.42Å | ||
| 186 | E | 97.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 64.3 Ų | 64.3 | 79% | 0.785 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -36.4 | -176.5 | -64.3 | -179.8 | 174.7 | 0 | 0 | 113.2 | K190 | E186-K190 PolarHBondContact O-N 3.05Å |
| 187 | K | 97.9 | Very high | 97.2 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 61% | 0.609 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.9 | -50.9 | 178.6 | -174 | -168.1 | 175.1 | -143 | 0 | 111.1 | N185 Q189 K190 E191 | N185-K187 PolarHBondContact O-N 2.93Å; N185-K187 PolarHBondContact OD1-N 3.27Å; K187-Q189 VanDerWaalsContact C-N 3.34Å; K187-K190 WeakPolarHBondContact O-CB 3.31Å; K187-K190 PolarHBondContact O-N 3.03Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 IonicContact NZ-OE1 3.05Å; K187-E191 PolarHBondContact NZ-OE1 2.85Å; K187-E191 PolarHBondContact O-N 2.86Å |
| 188 | L | 97.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.5 | -31.1 | -178.5 | -67.5 | 171.8 | 0 | 0 | 0 | 112 | L184 N185 E191 W192 V216 D219 A220 | L184-L188 HydrophobicContact CB-CB 4.08Å; L184-L188 HydrophobicContact CD1-CB 4.43Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; N185-L188 PolarHBondContact O-N 2.87Å; N185-L188 VanDerWaalsContact O-N 3.16Å; N185-L188 WeakPolarHBondContact OD1-CB 3.43Å; N185-L188 VanDerWaalsContact OD1-CG 3.24Å; N185-L188 WeakPolarHBondContact OD1-CG 3.49Å; N185-L188 PolarHBondContact OD1-N 2.85Å; L188-E191 PolarHBondContact O-N 2.98Å; L188-W192 WeakPolarHBondContact O-CB 3.23Å; L188-W192 PolarHBondContact O-N 2.91Å; L188-V216 HydrophobicContact CB-CG1 4.19Å; L188-V216 HydrophobicContact CD2-CG1 4.24Å; L188-D219 HydrophobicContact CD2-CB 3.95Å; L188-A220 HydrophobicContact CD1-CB 3.8Å |
| 189 | Q | 98.2 | Very high | 97.3 | Very high | 44 Ų | 44 | 66.5 Ų | 66.5 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 170.4 | -74.9 | 178 | -10.6 | 0 | 0 | 111.1 | Y181 L184 N185 K187 E191 W192 D193 | Y181-Q189 HydrophobicContact CE1-CG 4.2Å; Y181-Q189 HydrophobicContact CE2-CB 4.15Å; Y181-Q189 HydrophobicContact CE2-CG 4.21Å; Y181-Q189 PolarHBondContact O-NE2 3.44Å; L184-Q189 HydrophobicContact CB-CG 3.85Å; L184-Q189 PolarHBondContact O-NE2 3.26Å; N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 3.42Å; K187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-E191 PolarHBondContact O-N 2.98Å; Q189-W192 WeakPolarHBondContact O-CB 3.24Å; Q189-W192 PolarHBondContact O-N 3.1Å; Q189-D193 PolarHBondContact O-N 2.92Å |
| 190 | K | 98.3 | Very high | 97.3 | Very high | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 176.5 | -170.4 | -172.8 | 175.1 | -163 | 0 | 112 | E186 K187 W192 D193 E194 | E186-K190 PolarHBondContact O-N 3.05Å; K187-K190 WeakPolarHBondContact O-CB 3.31Å; K187-K190 PolarHBondContact O-N 3.03Å; K190-W192 VanDerWaalsContact C-N 3.31Å; K190-W192 PolarHBondContact O-N 3.48Å; K190-D193 PolarHBondContact O-N 3.24Å; K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.4Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.95Å |
| 191 | E | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 77 Ų | 77 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.3 | -71.9 | 173.7 | -168.9 | 0 | 0 | 111.3 | K187 L188 Q189 E194 V195 V216 | K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 IonicContact NZ-OE1 3.05Å; K187-E191 PolarHBondContact NZ-OE1 2.85Å; K187-E191 PolarHBondContact O-N 2.86Å; L188-E191 PolarHBondContact O-N 2.98Å; Q189-E191 PolarHBondContact O-N 2.98Å; E191-E194 PolarHBondContact O-N 2.99Å; E191-V195 VanDerWaalsContact O-CG2 3.29Å; E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 2.85Å; E191-V195 VanDerWaalsContact O-N 3.13Å; E191-V216 HydrophobicContact CB-CG2 4.3Å |
| 192 | W | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 76.1 Ų | 76.1 | 4% | 0.038 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 171.4 | -172.5 | -46 | 0 | 0 | 0 | 111.4 | N120 V180 Y181 L184 L188 Q189 K190 E194 V195 E196 L213 F217 | N120-W192 HydrophobicContact CB-CH2 3.75Å; N120-W192 HydrophobicContact CB-CZ2 3.81Å; V180-W192 HydrophobicContact CB-CH2 4.2Å; V180-W192 HydrophobicContact CB-CZ3 4.09Å; V180-W192 HydrophobicContact CG1-CH2 4.4Å; V180-W192 HydrophobicContact CG1-CZ3 3.86Å; Y181-W192 HydrophobicContact CD2-CB 4.4Å; Y181-W192 AromaticContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CE3 4.08Å; Y181-W192 HydrophobicContact CD2-CG 4Å; Y181-W192 HydrophobicContact CE2-CB 4.34Å; Y181-W192 HydrophobicContact CE2-CG 4.27Å; L184-W192 HydrophobicContact CD1-CE3 3.39Å; L184-W192 HydrophobicContact CD1-CZ3 3.79Å; L188-W192 WeakPolarHBondContact O-CB 3.23Å; L188-W192 PolarHBondContact O-N 2.91Å; Q189-W192 WeakPolarHBondContact O-CB 3.24Å; Q189-W192 PolarHBondContact O-N 3.1Å; K190-W192 VanDerWaalsContact C-N 3.31Å; K190-W192 PolarHBondContact O-N 3.48Å; W192-E194 PolarHBondContact O-N 3.38Å; W192-V195 WeakPolarHBondContact O-CA 3.42Å; W192-V195 WeakPolarHBondContact O-CB 3.4Å; W192-V195 PolarHBondContact O-N 2.81Å; W192-E196 VanDerWaalsContact NE1-CG 3.31Å; W192-E196 PolarHBondContact NE1-OE1 3.49Å; W192-E196 PolarHBondContact O-N 2.75Å; W192-L213 HydrophobicContact CB-CD2 4.39Å; W192-L213 HydrophobicContact CD2-CD2 3.55Å; W192-L213 HydrophobicContact CE3-CD2 4.09Å; W192-L213 HydrophobicContact CG-CD2 3.71Å; W192-L213 HydrophobicContact CZ2-CD1 4.17Å; W192-L213 HydrophobicContact CZ2-CD2 4.32Å; W192-F217 AromaticContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CZ 4.35Å; W192-F217 AromaticContact CH2-CE1 3.84Å; W192-F217 HydrophobicContact CH2-CE1 3.84Å; W192-F217 AromaticContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CZ3-CD1 4.44Å; W192-F217 AromaticContact CZ3-CE1 3.25Å; W192-F217 HydrophobicContact CZ3-CE1 3.25Å; W192-F217 AromaticContact CZ3-CZ 3.64Å; W192-F217 HydrophobicContact CZ3-CZ 3.64Å |
| 193 | D | 98.3 | Very high | 97.4 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.5 | -39.8 | -178.1 | -66.8 | -23.7 | 0 | 0 | 0 | 111.5 | Y181 Q189 K190 E196 Q197 | Y181-D193 WeakPolarHBondContact CE2-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD2 3.18Å; Y181-D193 VanDerWaalsContact OH-OD2 3.05Å; Q189-D193 PolarHBondContact O-N 2.92Å; K190-D193 PolarHBondContact O-N 3.24Å; D193-E196 PolarHBondContact O-N 2.97Å; D193-Q197 VanDerWaalsContact O-CB 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.29Å; D193-Q197 PolarHBondContact O-N 2.97Å |
| 194 | E | 97.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 78.7 Ų | 78.7 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.3 | -71.6 | 174.1 | -171.3 | 0 | 0 | 112 | K190 E191 W192 Q197 A198 | K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.4Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.95Å; E191-E194 PolarHBondContact O-N 2.99Å; W192-E194 PolarHBondContact O-N 3.38Å; E194-Q197 PolarHBondContact O-N 3.19Å; E194-A198 VanDerWaalsContact O-CB 3.32Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.79Å |
| 195 | V | 97.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 82.7 Ų | 82.7 | 10% | 0.097 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | E191 W192 A198 R199 I204 Y209 L212 L213 | E191-V195 VanDerWaalsContact O-CG2 3.29Å; E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 2.85Å; E191-V195 VanDerWaalsContact O-N 3.13Å; W192-V195 WeakPolarHBondContact O-CA 3.42Å; W192-V195 WeakPolarHBondContact O-CB 3.4Å; W192-V195 PolarHBondContact O-N 2.81Å; V195-A198 PolarHBondContact O-N 3.32Å; V195-R199 PolarHBondContact O-N 3.44Å; V195-I204 HydrophobicContact CG1-CD1 4.16Å; V195-Y209 HydrophobicContact CG1-CD2 3.62Å; V195-Y209 HydrophobicContact CG1-CE2 4.11Å; V195-L212 HydrophobicContact CG1-CB 3.95Å; V195-L212 HydrophobicContact CG1-CD1 4.37Å; V195-L212 HydrophobicContact CG2-CB 3.76Å; V195-L212 HydrophobicContact CG2-CD1 4.11Å; V195-L212 HydrophobicContact CG2-CG 4.48Å; V195-L213 HydrophobicContact CG1-CD2 4.28Å; V195-L213 HydrophobicContact CG1-CG 4.24Å |
| 196 | E | 96.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 84.6 Ų | 84.6 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 174.9 | -72.1 | -71.7 | 173.7 | 0 | 0 | 111.4 | W192 D193 A198 R199 Y200 Y209 | W192-E196 VanDerWaalsContact NE1-CG 3.31Å; W192-E196 PolarHBondContact NE1-OE1 3.49Å; W192-E196 PolarHBondContact O-N 2.75Å; D193-E196 PolarHBondContact O-N 2.97Å; E196-A198 PolarHBondContact O-N 2.88Å; E196-R199 WeakPolarHBondContact O-CB 3.43Å; E196-R199 PolarHBondContact O-N 3.31Å; E196-Y200 WeakPolarHBondContact O-CB 3.35Å; E196-Y200 PolarHBondContact O-N 2.9Å; E196-Y209 VanDerWaalsContact CD-CE2 3.46Å; E196-Y209 HydrophobicContact CG-CE2 4.3Å; E196-Y209 VanDerWaalsContact OE1-CE2 3.3Å; E196-Y209 WeakPolarHBondContact OE1-CE2 3.4Å; E196-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E196-Y209 PolarHBondContact OE1-OH 3.44Å |
| 197 | Q | 97.9 | Very high | 97.3 | Very high | 99 Ų | 99 | 84.2 Ų | 84.2 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.3 | -174.5 | 60.6 | 40.1 | 0 | 0 | 111.1 | D193 E194 R199 Y200 D201 | D193-Q197 VanDerWaalsContact O-CB 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.29Å; D193-Q197 PolarHBondContact O-N 2.97Å; E194-Q197 PolarHBondContact O-N 3.19Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.85Å; Q197-Y200 PolarHBondContact O-N 3.28Å; Q197-D201 VanDerWaalsContact NE2-CG 3.26Å; Q197-D201 PolarHBondContact NE2-OD1 2.02Å; Q197-D201 PolarHBondContact NE2-OD2 3.41Å; Q197-D201 WeakPolarHBondContact O-CB 3.06Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 2.87Å |
| 198 | A | 97.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E194 V195 E196 G202 L203 I204 | E194-A198 VanDerWaalsContact O-CB 3.32Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.79Å; V195-A198 PolarHBondContact O-N 3.32Å; E196-A198 PolarHBondContact O-N 2.88Å; A198-G202 PolarHBondContact O-N 3.26Å; A198-L203 HydrophobicContact CB-CB 4.42Å; A198-L203 WeakPolarHBondContact O-CB 3.47Å; A198-L203 PolarHBondContact O-N 3.29Å; A198-I204 HydrophobicContact CB-CD1 4.07Å; A198-I204 HydrophobicContact CB-CG1 4.19Å; A198-I204 HydrophobicContact CB-CG2 4.3Å; A198-I204 PolarHBondContact O-N 2.78Å |
| 199 | R | 96.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 78.7 Ų | 78.7 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 173.8 | -176.3 | -176 | -179.4 | 179.2 | 4 | 111.2 | V195 E196 Q197 D201 G202 I204 Y209 | V195-R199 PolarHBondContact O-N 3.44Å; E196-R199 WeakPolarHBondContact O-CB 3.43Å; E196-R199 PolarHBondContact O-N 3.31Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.85Å; R199-D201 VanDerWaalsContact C-N 3.31Å; R199-D201 PolarHBondContact O-N 3.43Å; R199-G202 PolarHBondContact O-N 3.25Å; R199-G202 VanDerWaalsContact O-N 3.08Å; R199-I204 HydrophobicContact CB-CD1 4.1Å; R199-I204 HydrophobicContact CB-CG1 3.98Å; R199-Y209 HydrophobicContact CB-CD2 4.08Å; R199-Y209 HydrophobicContact CG-CD2 4.36Å |
| 200 | Y | 96.9 | Very high | 97 | Very high | 194 Ų | 194 | 80.7 Ų | 80.7 | 76% | 0.761 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 178.4 | 178.8 | -93.3 | 0 | 0 | 0 | 111.8 | E196 Q197 G202 | E196-Y200 WeakPolarHBondContact O-CB 3.35Å; E196-Y200 PolarHBondContact O-N 2.9Å; Q197-Y200 PolarHBondContact O-N 3.28Å; Y200-G202 PolarHBondContact O-N 3.21Å |
| 201 | D | 97.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 77.5 Ų | 77.5 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.8 | 177.4 | -66.2 | -25.3 | 0 | 0 | 0 | 113.2 | Q197 R199 L203 | Q197-D201 VanDerWaalsContact NE2-CG 3.26Å; Q197-D201 PolarHBondContact NE2-OD1 2.02Å; Q197-D201 PolarHBondContact NE2-OD2 3.41Å; Q197-D201 WeakPolarHBondContact O-CB 3.06Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 2.87Å; R199-D201 VanDerWaalsContact C-N 3.31Å; R199-D201 PolarHBondContact O-N 3.43Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 HydrophobicContact CB-CD1 4.21Å; D201-L203 HydrophobicContact CB-CG 3.97Å; D201-L203 PolarHBondContact O-N 2.04Å |
| 202 | G | 96.5 | Very high | 96.8 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 18.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A198 R199 Y200 I204 | A198-G202 PolarHBondContact O-N 3.26Å; R199-G202 PolarHBondContact O-N 3.25Å; R199-G202 VanDerWaalsContact O-N 3.08Å; Y200-G202 PolarHBondContact O-N 3.21Å; G202-I204 VanDerWaalsContact C-N 3.34Å |
| 203 | L | 96.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 78.3 Ų | 78.3 | 70% | 0.696 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -77.8 | -22.5 | 179.7 | -59 | 178.5 | 0 | 0 | 0 | 112.4 | A198 D201 | A198-L203 HydrophobicContact CB-CB 4.42Å; A198-L203 WeakPolarHBondContact O-CB 3.47Å; A198-L203 PolarHBondContact O-N 3.29Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 HydrophobicContact CB-CD1 4.21Å; D201-L203 HydrophobicContact CB-CG 3.97Å; D201-L203 PolarHBondContact O-N 2.04Å |
| 204 | I | 96.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 78.9 Ų | 78.9 | 23% | 0.231 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -128.3 | 151.6 | 179.4 | 63.7 | 175.5 | 0 | 0 | 0 | 111.8 | V195 A198 R199 G202 L212 | V195-I204 HydrophobicContact CG1-CD1 4.16Å; A198-I204 HydrophobicContact CB-CD1 4.07Å; A198-I204 HydrophobicContact CB-CG1 4.19Å; A198-I204 HydrophobicContact CB-CG2 4.3Å; A198-I204 PolarHBondContact O-N 2.78Å; R199-I204 HydrophobicContact CB-CD1 4.1Å; R199-I204 HydrophobicContact CB-CG1 3.98Å; G202-I204 VanDerWaalsContact C-N 3.34Å; I204-L212 HydrophobicContact CD1-CD1 4.04Å |
| 205 | T | 96.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 75.9 Ų | 75.9 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | trans | -80.9 | 166.8 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | Q207 G208 Y209 | T205-Q207 PolarHBondContact O-N 2.8Å; T205-G208 WeakPolarHBondContact O-CA 3.14Å; T205-G208 PolarHBondContact O-N 2.79Å; T205-G208 PolarHBondContact OG1-N 3.06Å; T205-Y209 PolarHBondContact O-N 2.98Å | ||
| 206 | E | 95.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 75.4 Ų | 75.4 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -38.1 | 173.6 | -175.7 | 175.4 | -168.7 | 0 | 0 | 112.4 | Y209 N210 | E206-Y209 PolarHBondContact O-N 3.2Å; E206-N210 WeakPolarHBondContact O-CB 3.35Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.93Å; E206-N210 PolarHBondContact O-ND2 3.38Å |
| 207 | Q | 95.3 | Very high | 96.4 | Very high | 160 Ų | 160 | 73.1 Ų | 73.1 | 75% | 0.748 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 174.1 | -173.9 | -179.1 | 1.1 | 0 | 0 | 111.7 | T205 N210 S211 | T205-Q207 PolarHBondContact O-N 2.8Å; Q207-N210 PolarHBondContact O-N 2.87Å; Q207-S211 WeakPolarHBondContact O-CB 3.36Å; Q207-S211 PolarHBondContact O-N 3.32Å |
| 208 | G | 95.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T205 N210 S211 L212 | T205-G208 WeakPolarHBondContact O-CA 3.14Å; T205-G208 PolarHBondContact O-N 2.79Å; T205-G208 PolarHBondContact OG1-N 3.06Å; G208-N210 PolarHBondContact O-N 2.81Å; G208-S211 PolarHBondContact O-N 3.38Å; G208-L212 WeakPolarHBondContact O-CG 3.29Å; G208-L212 PolarHBondContact O-N 2.81Å |
| 209 | Y | 96.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 73.5 Ų | 73.5 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 174.5 | 169.7 | -97.6 | 0 | 0 | 0 | 112.1 | V195 E196 R199 T205 E206 S211 L212 L213 | V195-Y209 HydrophobicContact CG1-CD2 3.62Å; V195-Y209 HydrophobicContact CG1-CE2 4.11Å; E196-Y209 VanDerWaalsContact CD-CE2 3.46Å; E196-Y209 HydrophobicContact CG-CE2 4.3Å; E196-Y209 VanDerWaalsContact OE1-CE2 3.3Å; E196-Y209 WeakPolarHBondContact OE1-CE2 3.4Å; E196-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E196-Y209 PolarHBondContact OE1-OH 3.44Å; R199-Y209 HydrophobicContact CB-CD2 4.08Å; R199-Y209 HydrophobicContact CG-CD2 4.36Å; T205-Y209 PolarHBondContact O-N 2.98Å; E206-Y209 PolarHBondContact O-N 3.2Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.09Å; Y209-L212 PolarHBondContact O-N 3.02Å; Y209-L213 HydrophobicContact CD1-CD1 4.33Å; Y209-L213 HydrophobicContact CD2-CD1 4.4Å; Y209-L213 HydrophobicContact CD2-CG 4.46Å; Y209-L213 HydrophobicContact CE1-CD1 3.58Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CD1 3.67Å; Y209-L213 HydrophobicContact CE2-CG 4.07Å; Y209-L213 PolarHBondContact O-N 2.92Å; Y209-L213 VanDerWaalsContact OH-CD1 3.3Å; Y209-L213 WeakPolarHBondContact OH-CD1 2.91Å |
| 210 | N | 95.2 | Very high | 96.1 | Very high | 87 Ų | 87 | 70.2 Ų | 70.2 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 179.6 | -71 | -26 | 0 | 0 | 0 | 112.1 | E206 Q207 G208 R214 | E206-N210 WeakPolarHBondContact O-CB 3.35Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.93Å; E206-N210 PolarHBondContact O-ND2 3.38Å; Q207-N210 PolarHBondContact O-N 2.87Å; G208-N210 PolarHBondContact O-N 2.81Å; N210-R214 VanDerWaalsContact O-CB 3.29Å; N210-R214 WeakPolarHBondContact O-CB 3.28Å; N210-R214 PolarHBondContact O-N 2.89Å |
| 211 | S | 95.4 | Very high | 96 | Very high | 61 Ų | 61 | 62.8 Ų | 62.8 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 112 | Q207 G208 Y209 R214 D215 | Q207-S211 WeakPolarHBondContact O-CB 3.36Å; Q207-S211 PolarHBondContact O-N 3.32Å; G208-S211 PolarHBondContact O-N 3.38Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.09Å; S211-R214 WeakPolarHBondContact O-CB 3.38Å; S211-R214 PolarHBondContact O-N 3.45Å; S211-D215 PolarHBondContact O-N 2.84Å; S211-D215 VanDerWaalsContact O-N 3.11Å |
| 212 | L | 96.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 59 Ų | 59 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -179.1 | -69 | 169.3 | 0 | 0 | 0 | 111.5 | V195 I204 G208 Y209 R214 D215 V216 | V195-L212 HydrophobicContact CG1-CB 3.95Å; V195-L212 HydrophobicContact CG1-CD1 4.37Å; V195-L212 HydrophobicContact CG2-CB 3.76Å; V195-L212 HydrophobicContact CG2-CD1 4.11Å; V195-L212 HydrophobicContact CG2-CG 4.48Å; I204-L212 HydrophobicContact CD1-CD1 4.04Å; G208-L212 WeakPolarHBondContact O-CG 3.29Å; G208-L212 PolarHBondContact O-N 2.81Å; Y209-L212 PolarHBondContact O-N 3.02Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.46Å; L212-D215 PolarHBondContact O-N 3.41Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.09Å |
| 213 | L | 95.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -36.4 | 173.7 | -78.7 | -169.3 | 0 | 0 | 0 | 112.8 | W192 V195 Y209 D215 V216 F217 | W192-L213 HydrophobicContact CB-CD2 4.39Å; W192-L213 HydrophobicContact CD2-CD2 3.55Å; W192-L213 HydrophobicContact CE3-CD2 4.09Å; W192-L213 HydrophobicContact CG-CD2 3.71Å; W192-L213 HydrophobicContact CZ2-CD1 4.17Å; W192-L213 HydrophobicContact CZ2-CD2 4.32Å; V195-L213 HydrophobicContact CG1-CD2 4.28Å; V195-L213 HydrophobicContact CG1-CG 4.24Å; Y209-L213 HydrophobicContact CD1-CD1 4.33Å; Y209-L213 HydrophobicContact CD2-CD1 4.4Å; Y209-L213 HydrophobicContact CD2-CG 4.46Å; Y209-L213 HydrophobicContact CE1-CD1 3.58Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CD1 3.67Å; Y209-L213 HydrophobicContact CE2-CG 4.07Å; Y209-L213 PolarHBondContact O-N 2.92Å; Y209-L213 VanDerWaalsContact OH-CD1 3.3Å; Y209-L213 WeakPolarHBondContact OH-CD1 2.91Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.02Å; L213-V216 WeakPolarHBondContact O-CB 3.47Å; L213-V216 PolarHBondContact O-N 3.23Å; L213-F217 HydrophobicContact CB-CE2 4.34Å; L213-F217 HydrophobicContact CB-CZ 4.17Å; L213-F217 HydrophobicContact CD1-CZ 4.42Å; L213-F217 WeakPolarHBondContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.11Å; L213-F217 PolarHBondContact O-N 2.86Å |
| 214 | R | 95.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.2 | -164.4 | -175.4 | 82.2 | 76.3 | 23.3 | 110.9 | N210 S211 L212 F217 E218 L223 | N210-R214 VanDerWaalsContact O-CB 3.29Å; N210-R214 WeakPolarHBondContact O-CB 3.28Å; N210-R214 PolarHBondContact O-N 2.89Å; S211-R214 WeakPolarHBondContact O-CB 3.38Å; S211-R214 PolarHBondContact O-N 3.45Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.46Å; R214-F217 PolarHBondContact O-N 3.26Å; R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NH1-OE1 2.66Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH2-OE1 3.94Å; R214-E218 PolarHBondContact NH2-OE1 3.42Å; R214-E218 IonicContact NH2-OE2 3.85Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.42Å; R214-L223 HydrophobicContact CG-CD1 3.93Å |
| 215 | D | 95.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.5 | -66.7 | -15.5 | 0 | 0 | 0 | 111.3 | S211 L212 L213 F217 E218 D219 | S211-D215 PolarHBondContact O-N 2.84Å; S211-D215 VanDerWaalsContact O-N 3.11Å; L212-D215 PolarHBondContact O-N 3.41Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.02Å; D215-F217 VanDerWaalsContact C-N 3.26Å; D215-F217 PolarHBondContact O-N 3.44Å; D215-E218 PolarHBondContact O-N 2.82Å; D215-D219 PolarHBondContact O-N 2.93Å |
| 216 | V | 96.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 172.3 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L184 L188 E191 L212 L213 A220 | L184-V216 HydrophobicContact CD1-CG1 3.99Å; L188-V216 HydrophobicContact CB-CG1 4.19Å; L188-V216 HydrophobicContact CD2-CG1 4.24Å; E191-V216 HydrophobicContact CB-CG2 4.3Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.09Å; L213-V216 WeakPolarHBondContact O-CB 3.47Å; L213-V216 PolarHBondContact O-N 3.23Å; V216-A220 WeakPolarHBondContact O-CB 3.5Å; V216-A220 PolarHBondContact O-N 2.99Å |
| 217 | F | 96.5 | Very high | 91.5 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75 | -32.5 | 179.5 | -58.7 | -16.7 | 0 | 0 | 0 | 113.5 | I117 V180 W192 L213 R214 D215 G221 L222 L223 | I117-F217 HydrophobicContact CB-CE2 4.47Å; I117-F217 HydrophobicContact CD1-CB 4.29Å; I117-F217 HydrophobicContact CD1-CD2 3.67Å; I117-F217 HydrophobicContact CD1-CE2 4.12Å; I117-F217 HydrophobicContact CD1-CG 3.9Å; I117-F217 HydrophobicContact CG2-CD2 4.35Å; I117-F217 HydrophobicContact CG2-CE2 3.81Å; I117-F217 HydrophobicContact CG2-CZ 4.42Å; V180-F217 HydrophobicContact CG1-CD1 4.09Å; V180-F217 HydrophobicContact CG1-CE1 3.77Å; V180-F217 HydrophobicContact CG1-CZ 4.25Å; W192-F217 AromaticContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CZ 4.35Å; W192-F217 AromaticContact CH2-CE1 3.84Å; W192-F217 HydrophobicContact CH2-CE1 3.84Å; W192-F217 AromaticContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CZ3-CD1 4.44Å; W192-F217 AromaticContact CZ3-CE1 3.25Å; W192-F217 HydrophobicContact CZ3-CE1 3.25Å; W192-F217 AromaticContact CZ3-CZ 3.64Å; W192-F217 HydrophobicContact CZ3-CZ 3.64Å; L213-F217 HydrophobicContact CB-CE2 4.34Å; L213-F217 HydrophobicContact CB-CZ 4.17Å; L213-F217 HydrophobicContact CD1-CZ 4.42Å; L213-F217 WeakPolarHBondContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.11Å; L213-F217 PolarHBondContact O-N 2.86Å; R214-F217 PolarHBondContact O-N 3.26Å; D215-F217 VanDerWaalsContact C-N 3.26Å; D215-F217 PolarHBondContact O-N 3.44Å; F217-G221 PolarHBondContact O-N 3Å; F217-L222 HydrophobicContact CB-CB 4.4Å; F217-L222 WeakPolarHBondContact O-CB 3.46Å; F217-L222 PolarHBondContact O-N 2.93Å; F217-L223 HydrophobicContact CB-CD1 3.74Å; F217-L223 HydrophobicContact CB-CG 3.81Å; F217-L223 HydrophobicContact CD2-CD1 4.1Å; F217-L223 HydrophobicContact CG-CD1 4.45Å; F217-L223 PolarHBondContact O-N 2.81Å |
| 218 | E | 95.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 170.3 | -73.8 | -171.7 | 179.4 | 0 | 0 | 110.8 | R214 D215 A220 G221 L223 S225 | R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NH1-OE1 2.66Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH2-OE1 3.94Å; R214-E218 PolarHBondContact NH2-OE1 3.42Å; R214-E218 IonicContact NH2-OE2 3.85Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.42Å; D215-E218 PolarHBondContact O-N 2.82Å; E218-A220 VanDerWaalsContact C-N 3.26Å; E218-A220 PolarHBondContact O-N 3.04Å; E218-G221 WeakPolarHBondContact O-CA 3.37Å; E218-G221 PolarHBondContact O-N 3.4Å; E218-L223 HydrophobicContact CG-CB 4.16Å; E218-S225 VanDerWaalsContact CD-CA 3.49Å; E218-S225 VanDerWaalsContact OE2-CB 3.28Å; E218-S225 WeakPolarHBondContact OE2-CB 3.49Å; E218-S225 PolarHBondContact OE2-OG 3.41Å |
| 219 | D | 95.2 | Very high | 86.7 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.4 | -30.6 | 179.3 | -74.6 | -6.2 | 0 | 0 | 0 | 112.2 | L188 D215 G221 | L188-D219 HydrophobicContact CD2-CB 3.95Å; D215-D219 PolarHBondContact O-N 2.93Å; D219-G221 PolarHBondContact O-N 2.91Å |
| 220 | A | 95.5 | Very high | 84 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | L184 L188 V216 E218 L222 | L184-A220 HydrophobicContact CD2-CB 3.5Å; L184-A220 VanDerWaalsContact CD2-CB 3.5Å; L188-A220 HydrophobicContact CD1-CB 3.8Å; V216-A220 WeakPolarHBondContact O-CB 3.5Å; V216-A220 PolarHBondContact O-N 2.99Å; E218-A220 VanDerWaalsContact C-N 3.26Å; E218-A220 PolarHBondContact O-N 3.04Å; A220-L222 HydrophobicContact CB-CD1 3.95Å; A220-L222 HydrophobicContact CB-CG 3.73Å; A220-L222 PolarHBondContact O-N 2.63Å |
| 221 | G | 94.4 | Very high | 81.4 | Confident | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 23.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S63 F217 E218 D219 | S63-G221 VanDerWaalsContact CB-O 3.3Å; S63-G221 WeakPolarHBondContact CB-O 3.37Å; S63-G221 PolarHBondContact OG-O 3.49Å; F217-G221 PolarHBondContact O-N 3Å; E218-G221 WeakPolarHBondContact O-CA 3.37Å; E218-G221 PolarHBondContact O-N 3.4Å; D219-G221 PolarHBondContact O-N 2.91Å |
| 222 | L | 95.9 | Very high | 79.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -87.5 | -32.6 | 177.5 | -58.1 | 178.2 | 0 | 0 | 0 | 111.8 | G64 W115 I117 F122 V180 L184 F217 A220 | G64-L222 VanDerWaalsContact CA-CD2 3.44Å; W115-L222 PolarHBondContact N-O 2.87Å; I117-L222 HydrophobicContact CD1-CB 4.11Å; I117-L222 HydrophobicContact CD1-CD1 4.19Å; F122-L222 HydrophobicContact CE1-CD1 3.98Å; F122-L222 HydrophobicContact CE1-CD2 3.98Å; F122-L222 HydrophobicContact CE1-CG 4.41Å; F122-L222 HydrophobicContact CZ-CD1 3.82Å; F122-L222 HydrophobicContact CZ-CD2 3.99Å; V180-L222 HydrophobicContact CG1-CD1 3.69Å; L184-L222 HydrophobicContact CD2-CD1 3.98Å; F217-L222 HydrophobicContact CB-CB 4.4Å; F217-L222 WeakPolarHBondContact O-CB 3.46Å; F217-L222 PolarHBondContact O-N 2.93Å; A220-L222 HydrophobicContact CB-CD1 3.95Å; A220-L222 HydrophobicContact CB-CG 3.73Å; A220-L222 PolarHBondContact O-N 2.63Å |
| 223 | L | 95.7 | Very high | 76.5 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -114.2 | 150 | 176.1 | -62.1 | -176.7 | 0 | 0 | 0 | 110.8 | W115 I117 R214 F217 E218 S225 | W115-L223 WeakPolarHBondContact O-CD2 3.13Å; I117-L223 HydrophobicContact CD1-CD2 4.37Å; R214-L223 HydrophobicContact CG-CD1 3.93Å; F217-L223 HydrophobicContact CB-CD1 3.74Å; F217-L223 HydrophobicContact CB-CG 3.81Å; F217-L223 HydrophobicContact CD2-CD1 4.1Å; F217-L223 HydrophobicContact CG-CD1 4.45Å; F217-L223 PolarHBondContact O-N 2.81Å; E218-L223 HydrophobicContact CG-CB 4.16Å; L223-S225 PolarHBondContact O-N 2.94Å |
| 224 | K | 91.1 | Very high | 73.7 | Confident | 87 Ų | 87 | 67 Ų | 67 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | trans | -70.8 | 119.3 | 172.7 | -174.5 | 174.8 | -179.8 | 175.4 | 0 | 109.1 | E114 N226 | E114-K224 HydrophobicContact CB-CB 4.41Å; E114-K224 VanDerWaalsContact OE2-CB 3.29Å; E114-K224 WeakPolarHBondContact OE2-CB 3.39Å; E114-K224 PolarHBondContact OE2-N 3.43Å; K224-N226 PolarHBondContact O-N 3.45Å | ||
| 225 | S | 80.8 | Confident | 71 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | trans | -71.8 | 127.2 | 175 | -175.1 | 0 | 0 | 0 | 0 | 111 | E218 L223 K227 V228 | E218-S225 VanDerWaalsContact CD-CA 3.49Å; E218-S225 VanDerWaalsContact OE2-CB 3.28Å; E218-S225 WeakPolarHBondContact OE2-CB 3.49Å; E218-S225 PolarHBondContact OE2-OG 3.41Å; L223-S225 PolarHBondContact O-N 2.94Å; S225-K227 PolarHBondContact O-N 3.2Å; S225-K227 WeakPolarHBondContact OG-CB 3.36Å; S225-K227 PolarHBondContact OG-N 3.46Å; S225-V228 PolarHBondContact O-N 2.88Å | ||
| 226 | N | 67.1 | Low | 68.5 | Low | 115 Ų | 115 | 70.5 Ų | 70.5 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.7 | 172.9 | -72.2 | -35.6 | 0 | 0 | 0 | 112 | K224 V228 T229 | K224-N226 PolarHBondContact O-N 3.45Å; N226-V228 VanDerWaalsContact C-N 3.27Å; N226-V228 PolarHBondContact O-N 3.41Å; N226-T229 PolarHBondContact O-OG1 3.46Å |
| 227 | K | 55.1 | Low | 65.7 | Low | 136 Ų | 136 | 75.4 Ų | 75.4 | 59% | 0.591 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.6 | 178.1 | -61.8 | 175.1 | -178.9 | 164.2 | 0 | 112.5 | S225 T229 E230 T231 | S225-K227 PolarHBondContact O-N 3.2Å; S225-K227 WeakPolarHBondContact OG-CB 3.36Å; S225-K227 PolarHBondContact OG-N 3.46Å; K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.69Å; K227-E230 PolarHBondContact O-N 2.89Å; K227-T231 PolarHBondContact O-N 3.1Å |
| 228 | V | 47.4 | Very low | 63.3 | Low | 70 Ų | 70 | 85.3 Ų | 85.3 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.6 | -24.6 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | S225 N226 E230 T231 V232 | S225-V228 PolarHBondContact O-N 2.88Å; N226-V228 VanDerWaalsContact C-N 3.27Å; N226-V228 PolarHBondContact O-N 3.41Å; V228-E230 PolarHBondContact O-N 3.22Å; V228-T231 WeakPolarHBondContact CA-OG1 3.46Å; V228-T231 PolarHBondContact O-N 2.99Å; V228-T231 PolarHBondContact O-OG1 3.49Å; V228-V232 HydrophobicContact CG1-CG2 3.45Å; V228-V232 VanDerWaalsContact CG1-CG2 3.45Å; V228-V232 WeakPolarHBondContact O-CB 3.45Å; V228-V232 VanDerWaalsContact O-CG2 3.23Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.05Å |
| 229 | T | 43 | Very low | 60.9 | Low | 96 Ų | 96 | 89.2 Ų | 89.2 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -30.4 | 178.3 | -33.3 | 0 | 0 | 0 | 0 | 112.3 | N226 K227 | N226-T229 PolarHBondContact O-OG1 3.46Å; K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.69Å |
| 230 | E | 39 | Very low | 58.8 | Low | 155 Ų | 155 | 89.1 Ų | 89.1 | 72% | 0.724 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -81.6 | -40.2 | 174.9 | -65.9 | -174.1 | 164.1 | 0 | 0 | 111.3 | K227 V228 E234 | K227-E230 PolarHBondContact O-N 2.89Å; V228-E230 PolarHBondContact O-N 3.22Å; E230-E234 PolarHBondContact O-N 3.32Å |
| 231 | T | 41.7 | Very low | 56.7 | Low | 73 Ų | 73 | 96.3 Ų | 96.3 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75 | -26.7 | -178 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | K227 V228 E234 A235 | K227-T231 PolarHBondContact O-N 3.1Å; V228-T231 WeakPolarHBondContact CA-OG1 3.46Å; V228-T231 PolarHBondContact O-N 2.99Å; V228-T231 PolarHBondContact O-OG1 3.49Å; T231-E234 CarbonylContact O-C 3.54Å; T231-E234 PolarHBondContact O-N 3.05Å; T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 2.78Å |
| 232 | V | 46.4 | Very low | 54.7 | Low | 60 Ų | 60 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.7 | -36.2 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V228 E234 A235 E236 | V228-V232 HydrophobicContact CG1-CG2 3.45Å; V228-V232 VanDerWaalsContact CG1-CG2 3.45Å; V228-V232 WeakPolarHBondContact O-CB 3.45Å; V228-V232 VanDerWaalsContact O-CG2 3.23Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.05Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 3.35Å; V232-A235 PolarHBondContact O-N 2.73Å; V232-E236 HydrophobicContact CG1-CG 4.14Å; V232-E236 WeakPolarHBondContact O-CB 3.29Å; V232-E236 WeakPolarHBondContact O-CG 3.27Å; V232-E236 PolarHBondContact O-N 3.23Å |
| 233 | A | 42.8 | Very low | 53.3 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T237 | A233-T237 PolarHBondContact O-OG1 2.9Å |
| 234 | E | 36.6 | Very low | 52.5 | Low | 143 Ų | 143 | 107 Ų | 107 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -80.1 | -26.4 | 172.9 | -80.9 | -173.7 | 144.6 | 0 | 0 | 114 | E230 T231 V232 T237 R238 | E230-E234 PolarHBondContact O-N 3.32Å; T231-E234 CarbonylContact O-C 3.54Å; T231-E234 PolarHBondContact O-N 3.05Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 3.35Å; E234-T237 WeakPolarHBondContact CA-OG1 3.3Å; E234-T237 PolarHBondContact O-OG1 2.93Å; E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 3.3Å |
| 235 | A | 39.1 | Very low | 51.9 | Low | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -84 | -34.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T231 V232 T237 R238 S239 | T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 2.78Å; V232-A235 PolarHBondContact O-N 2.73Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 3.15Å; A235-R238 CarbonylContact O-C 3.59Å; A235-R238 PolarHBondContact O-N 3.28Å; A235-S239 PolarHBondContact O-N 3.04Å |
| 236 | E | 42.6 | Very low | 52 | Low | 153 Ų | 153 | 115.5 Ų | 115.5 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.4 | -30.9 | 172.5 | -74.4 | -176.6 | 169.6 | 0 | 0 | 111.7 | V232 R238 | V232-E236 HydrophobicContact CG1-CG 4.14Å; V232-E236 WeakPolarHBondContact O-CB 3.29Å; V232-E236 WeakPolarHBondContact O-CG 3.27Å; V232-E236 PolarHBondContact O-N 3.23Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.93Å |
| 237 | T | 38.4 | Very low | 52.8 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -13.8 | 171 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | A233 E234 A235 | A233-T237 PolarHBondContact O-OG1 2.9Å; E234-T237 WeakPolarHBondContact CA-OG1 3.3Å; E234-T237 PolarHBondContact O-OG1 2.93Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 3.15Å |
| 238 | R | 45.5 | Very low | 54.2 | Low | 221 Ų | 221 | 109.8 Ų | 109.8 | 83% | 0.834 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -11 | -179.2 | -151.2 | 173.5 | -174.7 | -178 | 2 | 114.4 | E234 A235 E236 E240 | E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 3.3Å; A235-R238 CarbonylContact O-C 3.59Å; A235-R238 PolarHBondContact O-N 3.28Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.93Å; R238-E240 PolarHBondContact O-N 3.2Å |
| 239 | S | 44.9 | Very low | 56.2 | Low | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | -89 | 47.2 | 174.4 | -155.1 | 0 | 0 | 0 | 0 | 112.5 | A235 K241 | A235-S239 PolarHBondContact O-N 3.04Å; S239-K241 PolarHBondContact O-N 3.08Å | ||
| 240 | E | 51.9 | Low | 58.5 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 52% | 0.523 | 58% | 0.576 | S | S | . | * | trans | -72 | 105.5 | 154.3 | -72.8 | -171.5 | 172.8 | 0 | 0 | 106.7 | R238 H242 K247 | R238-E240 PolarHBondContact O-N 3.2Å; E240-H242 PolarHBondContact O-N 3.08Å; E240-K247 IonicContact OE2-NZ 3.86Å; E240-K247 PolarHBondContact OE2-NZ 2.98Å | ||
| 241 | K | 52 | Low | 60.6 | Low | 178 Ų | 178 | 106.5 Ų | 106.5 | 77% | 0.774 | 55% | 0.554 | S | S | * | * | trans | -47.7 | 121.1 | 163.2 | -73.7 | -179.5 | 178 | 177.1 | 0 | 106.9 | S239 N243 | S239-K241 PolarHBondContact O-N 3.08Å; K241-N243 PolarHBondContact O-N 3.31Å; K241-N243 PolarHBondContact O-OD1 2.65Å | ||
| 242 | H | 52.7 | Low | 62.9 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | trans | -55.3 | 107.1 | -175.3 | -59.7 | -63 | 0 | 0 | 0 | 109.5 | E240 S244 C248 D251 | E240-H242 PolarHBondContact O-N 3.08Å; H242-S244 PolarHBondContact O-N 2.89Å; H242-S244 VanDerWaalsContact O-N 3.15Å; H242-C248 HydrophobicContact CB-CB 4.15Å; H242-D251 IonicContact CE1-OD2 3.35Å; H242-D251 PolarHBondContact CE1-OD2 3.47Å; H242-D251 IonicContact ND1-OD2 2.87Å; H242-D251 PolarHBondContact ND1-OD2 3.1Å; H242-D251 VanDerWaalsContact ND1-OD2 3.08Å | ||
| 243 | N | 65 | Low | 65 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -72.9 | -5.8 | -171.7 | -67.5 | -36.8 | 0 | 0 | 0 | 112.7 | K241 | K241-N243 PolarHBondContact O-N 3.31Å; K241-N243 PolarHBondContact O-OD1 2.65Å |
| 244 | S | 78.8 | Confident | 67.5 | Low | 61 Ų | 61 | 115.4 Ų | 115.4 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -151.4 | 149.9 | 177.3 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | H242 Q246 K247 C248 | H242-S244 PolarHBondContact O-N 2.89Å; H242-S244 VanDerWaalsContact O-N 3.15Å; S244-Q246 PolarHBondContact O-N 2.9Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 WeakPolarHBondContact OG-CB 3.44Å; S244-K247 PolarHBondContact OG-N 3.05Å; S244-C248 PolarHBondContact O-N 2.75Å |
| 245 | L | 79.6 | Confident | 70 | Confident | 151 Ų | 151 | 114.8 Ų | 114.8 | 79% | 0.791 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.5 | -36.2 | 175.7 | -170.2 | 95.9 | 0 | 0 | 0 | 111.8 | C248 Q249 | L245-C248 WeakPolarHBondContact O-CB 2.92Å; L245-C248 PolarHBondContact O-N 2.95Å; L245-Q249 PolarHBondContact O-N 3.27Å |
| 246 | Q | 83 | Confident | 72.3 | Confident | 136 Ų | 136 | 114.8 Ų | 114.8 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.5 | -43.8 | -179.6 | -171.7 | 176.9 | -9 | 0 | 0 | 112 | S244 C248 Q249 E250 | S244-Q246 PolarHBondContact O-N 2.9Å; Q246-C248 VanDerWaalsContact C-N 3.31Å; Q246-C248 PolarHBondContact O-N 2.87Å; Q246-Q249 PolarHBondContact O-N 2.98Å; Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 2.82Å |
| 247 | K | 83.6 | Confident | 74.8 | Confident | 73 Ų | 73 | 113.8 Ų | 113.8 | 32% | 0.317 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | 176.7 | -167.2 | 173.2 | -177.6 | 179.4 | 0 | 111.3 | E240 S244 Q249 E250 D251 | E240-K247 IonicContact OE2-NZ 3.86Å; E240-K247 PolarHBondContact OE2-NZ 2.98Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 WeakPolarHBondContact OG-CB 3.44Å; S244-K247 PolarHBondContact OG-N 3.05Å; K247-Q249 PolarHBondContact O-N 2.75Å; K247-E250 PolarHBondContact O-N 3.15Å; K247-D251 WeakPolarHBondContact O-CB 3.38Å; K247-D251 PolarHBondContact O-N 3.22Å |
| 248 | C | 83.7 | Confident | 77.3 | Confident | 58 Ų | 58 | 112.5 Ų | 112.5 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | H242 S244 L245 Q246 D251 Y252 | H242-C248 HydrophobicContact CB-CB 4.15Å; S244-C248 PolarHBondContact O-N 2.75Å; L245-C248 WeakPolarHBondContact O-CB 2.92Å; L245-C248 PolarHBondContact O-N 2.95Å; Q246-C248 VanDerWaalsContact C-N 3.31Å; Q246-C248 PolarHBondContact O-N 2.87Å; C248-D251 PolarHBondContact O-N 3.08Å; C248-Y252 VanDerWaalsContact O-CB 3.25Å; C248-Y252 WeakPolarHBondContact O-CB 3.34Å; C248-Y252 PolarHBondContact O-N 3.29Å |
| 249 | Q | 89.9 | Confident | 79.4 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 179.6 | -171.2 | 162.6 | -21 | 0 | 0 | 112.5 | L245 Q246 K247 Q253 | L245-Q249 PolarHBondContact O-N 3.27Å; Q246-Q249 PolarHBondContact O-N 2.98Å; K247-Q249 PolarHBondContact O-N 2.75Å; Q249-Q253 WeakPolarHBondContact O-CG 2.95Å; Q249-Q253 PolarHBondContact O-N 2.95Å; Q249-Q253 VanDerWaalsContact O-N 3.1Å |
| 250 | E | 91.5 | Very high | 81.6 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 173.7 | -70.9 | 172.8 | -165.3 | 0 | 0 | 112 | Q246 K247 Y252 Q253 K254 | Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 2.82Å; K247-E250 PolarHBondContact O-N 3.15Å; E250-Y252 VanDerWaalsContact C-N 3.35Å; E250-Q253 PolarHBondContact O-N 3.06Å; E250-K254 WeakPolarHBondContact O-CG 3.44Å; E250-K254 PolarHBondContact O-N 3.21Å |
| 251 | D | 83.7 | Confident | 83.6 | Confident | 47 Ų | 47 | 104.9 Ų | 104.9 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 178.2 | -70.1 | -22.5 | 0 | 0 | 0 | 111.3 | H242 K247 C248 K254 Q255 | H242-D251 IonicContact CE1-OD2 3.35Å; H242-D251 PolarHBondContact CE1-OD2 3.47Å; H242-D251 IonicContact ND1-OD2 2.87Å; H242-D251 PolarHBondContact ND1-OD2 3.1Å; H242-D251 VanDerWaalsContact ND1-OD2 3.08Å; K247-D251 WeakPolarHBondContact O-CB 3.38Å; K247-D251 PolarHBondContact O-N 3.22Å; C248-D251 PolarHBondContact O-N 3.08Å; D251-K254 PolarHBondContact O-N 3.44Å; D251-Q255 VanDerWaalsContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CB 3.45Å; D251-Q255 PolarHBondContact O-N 3.4Å |
| 252 | Y | 88.8 | Confident | 85.3 | Confident | 162 Ų | 162 | 101 Ų | 101 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 173.3 | 179.7 | -96 | 0 | 0 | 0 | 112 | C248 E250 Q255 S256 | C248-Y252 VanDerWaalsContact O-CB 3.25Å; C248-Y252 WeakPolarHBondContact O-CB 3.34Å; C248-Y252 PolarHBondContact O-N 3.29Å; E250-Y252 VanDerWaalsContact C-N 3.35Å; Y252-Q255 PolarHBondContact O-N 3.31Å; Y252-S256 WeakPolarHBondContact O-CB 3.44Å; Y252-S256 PolarHBondContact O-N 2.71Å; Y252-S256 PolarHBondContact O-OG 2.95Å |
| 253 | Q | 91.8 | Very high | 87 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -50.7 | 176.3 | -76.2 | 177.5 | -7.6 | 0 | 0 | 111.1 | Q249 E250 Q255 S256 E257 | Q249-Q253 WeakPolarHBondContact O-CG 2.95Å; Q249-Q253 PolarHBondContact O-N 2.95Å; Q249-Q253 VanDerWaalsContact O-N 3.1Å; E250-Q253 PolarHBondContact O-N 3.06Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.46Å; Q253-S256 PolarHBondContact O-N 3.26Å; Q253-S256 VanDerWaalsContact O-N 3.1Å; Q253-S256 PolarHBondContact O-OG 3.45Å; Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.39Å |
| 254 | K | 93.5 | Very high | 88.1 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 53% | 0.53 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.9 | -71 | 173 | -175.5 | 166.1 | 0 | 112.4 | E250 D251 E257 E258 | E250-K254 WeakPolarHBondContact O-CG 3.44Å; E250-K254 PolarHBondContact O-N 3.21Å; D251-K254 PolarHBondContact O-N 3.44Å; K254-E257 PolarHBondContact O-N 3.38Å; K254-E258 PolarHBondContact O-N 2.91Å |
| 255 | Q | 89.1 | Confident | 88.6 | Confident | 129 Ų | 129 | 98.6 Ų | 98.6 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 177.8 | -171.4 | 177.4 | 8 | 0 | 0 | 111.3 | D251 Y252 Q253 E257 E258 V259 | D251-Q255 VanDerWaalsContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CB 3.45Å; D251-Q255 PolarHBondContact O-N 3.4Å; Y252-Q255 PolarHBondContact O-N 3.31Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.46Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.3Å; Q255-E258 PolarHBondContact O-N 3.37Å; Q255-V259 WeakPolarHBondContact O-CB 3.48Å; Q255-V259 VanDerWaalsContact O-CG2 3.24Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 2.93Å |
| 256 | S | 89.1 | Confident | 88.9 | Confident | 56 Ų | 56 | 93.9 Ų | 93.9 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 177.8 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | Y252 Q253 A260 | Y252-S256 WeakPolarHBondContact O-CB 3.44Å; Y252-S256 PolarHBondContact O-N 2.71Å; Y252-S256 PolarHBondContact O-OG 2.95Å; Q253-S256 PolarHBondContact O-N 3.26Å; Q253-S256 VanDerWaalsContact O-N 3.1Å; Q253-S256 PolarHBondContact O-OG 3.45Å; S256-A260 WeakPolarHBondContact O-CB 3.27Å; S256-A260 PolarHBondContact O-N 3.06Å |
| 257 | E | 94.1 | Very high | 89 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.5 | -44.9 | 176.5 | -71.6 | 174.2 | 179.9 | 0 | 0 | 111.8 | Q253 K254 Q255 A260 R261 | Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.39Å; K254-E257 PolarHBondContact O-N 3.38Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.3Å; E257-A260 WeakPolarHBondContact O-CB 3.39Å; E257-A260 PolarHBondContact O-N 3.38Å; E257-R261 WeakPolarHBondContact O-CB 3.36Å; E257-R261 PolarHBondContact O-N 3.42Å |
| 258 | E | 91.1 | Very high | 89.2 | Confident | 83 Ų | 83 | 95.5 Ų | 95.5 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.3 | -87.5 | -62.7 | 156.3 | 0 | 0 | 112.1 | K254 Q255 A260 R261 L262 | K254-E258 PolarHBondContact O-N 2.91Å; Q255-E258 PolarHBondContact O-N 3.37Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.11Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NH1 2.91Å; E258-R261 PolarHBondContact OE1-NH1 2.89Å; E258-R261 IonicContact OE2-NH1 2.65Å; E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.41Å; E258-L262 PolarHBondContact O-N 3.34Å |
| 259 | V | 89.8 | Confident | 89.4 | Confident | 59 Ų | 59 | 97.5 Ų | 97.5 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 173.4 | 169.8 | 0 | 0 | 0 | 0 | 111 | Q255 R263 | Q255-V259 WeakPolarHBondContact O-CB 3.48Å; Q255-V259 VanDerWaalsContact O-CG2 3.24Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 2.93Å; V259-R263 WeakPolarHBondContact O-CB 3.38Å; V259-R263 VanDerWaalsContact O-CG 3.24Å; V259-R263 WeakPolarHBondContact O-CG 3.24Å; V259-R263 PolarHBondContact O-N 3.5Å |
| 260 | A | 90.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S256 E257 E258 R263 A264 | S256-A260 WeakPolarHBondContact O-CB 3.27Å; S256-A260 PolarHBondContact O-N 3.06Å; E257-A260 WeakPolarHBondContact O-CB 3.39Å; E257-A260 PolarHBondContact O-N 3.38Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.11Å; A260-R263 PolarHBondContact O-N 3.23Å; A260-A264 PolarHBondContact O-N 3.25Å |
| 261 | R | 94.3 | Very high | 88.5 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -48.4 | 176.3 | -178.5 | -171.7 | 175.7 | -168.9 | -0.7 | 112 | E257 E258 R263 A264 I265 | E257-R261 WeakPolarHBondContact O-CB 3.36Å; E257-R261 PolarHBondContact O-N 3.42Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NH1 2.91Å; E258-R261 PolarHBondContact OE1-NH1 2.89Å; E258-R261 IonicContact OE2-NH1 2.65Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 3.46Å; R261-A264 WeakPolarHBondContact O-CB 3.39Å; R261-A264 PolarHBondContact O-N 3.43Å; R261-I265 HydrophobicContact CG-CD1 4.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.38Å; R261-I265 PolarHBondContact O-N 3.45Å |
| 262 | L | 87.8 | Confident | 88.1 | Confident | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 179.2 | -71 | 171.9 | 0 | 0 | 0 | 111.1 | E258 A264 I265 L266 | E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.41Å; E258-L262 PolarHBondContact O-N 3.34Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.29Å; L262-I265 PolarHBondContact O-N 3.31Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.02Å |
| 263 | R | 88.1 | Confident | 87.3 | Confident | 121 Ų | 121 | 101.9 Ų | 101.9 | 46% | 0.457 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 173 | -75.1 | 175.9 | -178.6 | -172 | 0.5 | 111.8 | V259 A260 R261 I265 L266 T267 | V259-R263 WeakPolarHBondContact O-CB 3.38Å; V259-R263 VanDerWaalsContact O-CG 3.24Å; V259-R263 WeakPolarHBondContact O-CG 3.24Å; V259-R263 PolarHBondContact O-N 3.5Å; A260-R263 PolarHBondContact O-N 3.23Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 3.46Å; R263-I265 VanDerWaalsContact C-N 3.32Å; R263-I265 PolarHBondContact O-N 3.31Å; R263-L266 PolarHBondContact O-N 3.48Å; R263-T267 WeakPolarHBondContact O-CG2 3.41Å; R263-T267 PolarHBondContact O-N 3.44Å; R263-T267 PolarHBondContact O-OG1 3.04Å |
| 264 | A | 88.7 | Confident | 85.9 | Confident | 55 Ų | 55 | 105.1 Ų | 105.1 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A260 R261 L262 T267 L268 | A260-A264 PolarHBondContact O-N 3.25Å; R261-A264 WeakPolarHBondContact O-CB 3.39Å; R261-A264 PolarHBondContact O-N 3.43Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.29Å; A264-T267 WeakPolarHBondContact CA-OG1 3.14Å; A264-T267 PolarHBondContact O-N 3.01Å; A264-T267 PolarHBondContact O-OG1 3.08Å; A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 2.88Å |
| 265 | I | 89.1 | Confident | 83.9 | Confident | 77 Ų | 77 | 102.9 Ų | 102.9 | 40% | 0.395 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.9 | -66.3 | 168 | 0 | 0 | 0 | 111.2 | R261 L262 R263 T267 L268 N269 | R261-I265 HydrophobicContact CG-CD1 4.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.38Å; R261-I265 PolarHBondContact O-N 3.45Å; L262-I265 PolarHBondContact O-N 3.31Å; R263-I265 VanDerWaalsContact C-N 3.32Å; R263-I265 PolarHBondContact O-N 3.31Å; I265-T267 VanDerWaalsContact C-N 3.34Å; I265-T267 PolarHBondContact O-N 3.31Å; I265-L268 WeakPolarHBondContact O-CB 3.21Å; I265-L268 PolarHBondContact O-N 3.36Å; I265-N269 PolarHBondContact O-N 3.02Å; I265-N269 VanDerWaalsContact O-N 3.12Å; I265-N269 PolarHBondContact O-ND2 3.32Å |
| 266 | L | 85.3 | Confident | 81.4 | Confident | 52 Ų | 52 | 105 Ų | 105 | 27% | 0.272 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -42.1 | 177.6 | -68.9 | 171.4 | 0 | 0 | 0 | 111.4 | L262 R263 L268 N269 N270 I271 F273 | L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.02Å; R263-L266 PolarHBondContact O-N 3.48Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L266-L268 PolarHBondContact O-N 3.43Å; L266-N269 CarbonylContact O-C 3.56Å; L266-N269 PolarHBondContact O-N 3.24Å; L266-N270 PolarHBondContact O-N 2.87Å; L266-I271 HydrophobicContact CB-CB 4.48Å; L266-I271 HydrophobicContact CD2-CB 3.97Å; L266-I271 HydrophobicContact CD2-CD1 4.03Å; L266-I271 HydrophobicContact CD2-CG2 3.94Å; L266-I271 PolarHBondContact O-N 3.24Å; L266-F273 HydrophobicContact CD1-CB 4.27Å; L266-F273 HydrophobicContact CD1-CG 4.48Å |
| 267 | T | 85.1 | Confident | 79 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -35.8 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | R263 A264 I265 N269 N270 | R263-T267 WeakPolarHBondContact O-CG2 3.41Å; R263-T267 PolarHBondContact O-N 3.44Å; R263-T267 PolarHBondContact O-OG1 3.04Å; A264-T267 WeakPolarHBondContact CA-OG1 3.14Å; A264-T267 PolarHBondContact O-N 3.01Å; A264-T267 PolarHBondContact O-OG1 3.08Å; I265-T267 VanDerWaalsContact C-N 3.34Å; I265-T267 PolarHBondContact O-N 3.31Å; T267-N269 VanDerWaalsContact C-N 3.26Å; T267-N269 PolarHBondContact O-N 2.92Å; T267-N270 PolarHBondContact O-N 2.81Å |
| 268 | L | 88.8 | Confident | 76.1 | Confident | 143 Ų | 143 | 109.2 Ų | 109.2 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.1 | -32.3 | 176.2 | -176.8 | 66.3 | 0 | 0 | 0 | 112.2 | A264 I265 L266 | A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 2.88Å; I265-L268 WeakPolarHBondContact O-CB 3.21Å; I265-L268 PolarHBondContact O-N 3.36Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L266-L268 PolarHBondContact O-N 3.43Å |
| 269 | N | 88.1 | Confident | 73.2 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | 11.6 | -178.5 | -68.6 | -81.2 | 0 | 0 | 0 | 113.3 | I265 L266 T267 I271 | I265-N269 PolarHBondContact O-N 3.02Å; I265-N269 VanDerWaalsContact O-N 3.12Å; I265-N269 PolarHBondContact O-ND2 3.32Å; L266-N269 CarbonylContact O-C 3.56Å; L266-N269 PolarHBondContact O-N 3.24Å; T267-N269 VanDerWaalsContact C-N 3.26Å; T267-N269 PolarHBondContact O-N 2.92Å; N269-I271 HydrophobicContact CB-CD1 3.98Å; N269-I271 HydrophobicContact CB-CG1 4.1Å; N269-I271 PolarHBondContact O-N 2.94Å |
| 270 | N | 83.3 | Confident | 70.6 | Confident | 157 Ų | 157 | 120.8 Ų | 120.8 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 33.7 | -176.6 | -79 | -7.6 | 0 | 0 | 0 | 114.2 | L266 T267 | L266-N270 PolarHBondContact O-N 2.87Å; T267-N270 PolarHBondContact O-N 2.81Å |
| 271 | I | 78.3 | Confident | 67.9 | Low | 96 Ų | 96 | 128 Ų | 128 | 49% | 0.492 | 65% | 0.653 | S | S | . | * | trans | -93.8 | 117.1 | 176.3 | -58 | 171.8 | 0 | 0 | 0 | 108.3 | L266 N269 | L266-I271 HydrophobicContact CB-CB 4.48Å; L266-I271 HydrophobicContact CD2-CB 3.97Å; L266-I271 HydrophobicContact CD2-CD1 4.03Å; L266-I271 HydrophobicContact CD2-CG2 3.94Å; L266-I271 PolarHBondContact O-N 3.24Å; N269-I271 HydrophobicContact CB-CD1 3.98Å; N269-I271 HydrophobicContact CB-CG1 4.1Å; N269-I271 PolarHBondContact O-N 2.94Å | ||
| 272 | S | 75.1 | Confident | 64.9 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | trans | -71.3 | 132.9 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 273 | F | 73.1 | Confident | 62.1 | Low | 139 Ų | 139 | 124.8 Ų | 124.8 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | trans | -139.8 | 114.6 | 173.7 | -178.1 | -93.3 | 0 | 0 | 0 | 109.9 | L266 | L266-F273 HydrophobicContact CD1-CB 4.27Å; L266-F273 HydrophobicContact CD1-CG 4.48Å | ||
| 274 | E | 62 | Low | 59.3 | Low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -90.2 | 133 | 173 | -76.5 | -174.3 | 167.2 | 0 | 0 | 110.9 | ||||
| 275 | S | 51.7 | Low | 56.5 | Low | 74 Ų | 74 | 129 Ų | 129 | 52% | 0.517 | 72% | 0.715 | S | S | . | * | trans | -101.6 | 111.2 | 164.6 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | P277 | S275-P277 WeakPolarHBondContact O-CD 3.48Š| ||
| 276 | Q | 36.3 | Very low | 53.6 | Low | 173 Ų | 173 | 129.9 Ų | 129.9 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -70.4 | 127.3 | 165.1 | -71 | -170.9 | -8.1 | 0 | 0 | 109.4 | ||||
| 277 | P | 37.7 | Very low | 51.5 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -83.5 | 117.8 | 168.6 | 11.6 | 3.6 | 0 | 0 | 0 | 109.9 | S275 E279 | S275-P277 WeakPolarHBondContact O-CD 3.48Å; P277-E279 PolarHBondContact O-N 2.92Å | ||
| 278 | N | 32.9 | Very low | 48.8 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 107.2 | 159.7 | -82.8 | -22.1 | 0 | 0 | 0 | 108.6 | ||||
| 279 | E | 31.7 | Very low | 46.3 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -100.6 | 100.7 | 162.2 | -82.8 | -166 | 149.1 | 0 | 0 | 109.8 | P277 | P277-E279 PolarHBondContact O-N 2.92Š| ||
| 280 | E | 35.4 | Very low | 43.7 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 110.5 | 154.4 | -90 | -174.9 | 152.2 | 0 | 0 | 108.8 | ||||
| 281 | K | 33.5 | Very low | 41.4 | Very low | 211 Ų | 211 | 140 Ų | 140 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -146.3 | 119 | 151.1 | -77.5 | -166.6 | 179.9 | 169.8 | 0 | 110.6 | ||||
| 282 | G | 30.2 | Very low | 39.3 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -89 | 144.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 283 | A | 28.9 | Very low | 37.4 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -176.4 | 125.8 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 284 | T | 29.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -28 | 146.1 | 157.1 | 8.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 285 | T | 29.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | -166.6 | 147 | 54.5 | 34.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 286 | A | 29.8 | Very low | 33.5 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -22 | -178.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 287 | P | 40 | Very low | 33.4 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | cis | -128.6 | 157.1 | -42.4 | 33.5 | -17.2 | 0 | 0 | 0 | 112.7 | ||||
| 288 | A | 29.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -144.2 | 125.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 289 | K | 35 | Very low | 33.7 | Very low | 208 Ų | 208 | 147.7 Ų | 147.7 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | -59.3 | 131.3 | 168.9 | -77.3 | 170.6 | 168.5 | 175.9 | 0 | 109.3 | ||||
| 290 | D | 33.6 | Very low | 34.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -148 | 144.7 | 131.5 | -133.6 | -13.1 | 0 | 0 | 0 | 111.3 | ||||
| 291 | Q | 35.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | -111.2 | 151.9 | -164.2 | -147.1 | 172 | 9 | 0 | 0 | 108.5 | ||||
| 292 | L | 33.6 | Very low | 34.5 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | trans | 87.8 | 137.8 | 165.5 | -48.9 | 159.4 | 0 | 0 | 0 | 114.4 | ||||
| 293 | R | 35.8 | Very low | 34.7 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | cis | -160.8 | 131.3 | 19.4 | -155.7 | 174.6 | -173.6 | 174.3 | -0.2 | 107.9 | ||||
| 294 | G | 31.1 | Very low | 35 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | -85.2 | 138 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 295 | D | 35.4 | Very low | 35.3 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | trans | -106.8 | 114.4 | 160.5 | -98.9 | -14.3 | 0 | 0 | 0 | 108.6 | ||||
| 296 | T | 38.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 86% | 0.859 | 85% | 0.85 | S | S | * | * | trans | -91.2 | 106.4 | 166.3 | 45.3 | 0 | 0 | 0 | 0 | 108.2 | L298 | T296-L298 PolarHBondContact O-N 2.89Š| ||
| 297 | G | 34.6 | Very low | 36 | Very low | 72 Ų | 72 | 157.5 Ų | 157.5 | 74% | 0.742 | 85% | 0.854 | S | S | * | * | trans | -77.4 | 101 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 298 | L | 36 | Very low | 35.7 | Very low | 142 Ų | 142 | 159.7 Ų | 159.7 | 74% | 0.743 | 86% | 0.857 | S | S | * | * | trans | -69.3 | 123.2 | 168.3 | -160.4 | 91.4 | 0 | 0 | 0 | 109.1 | T296 D300 | T296-L298 PolarHBondContact O-N 2.89Å; L298-D300 WeakPolarHBondContact CD2-OD2 3.33Å | ||
| 299 | F | 39.3 | Very low | 36.1 | Very low | 212 Ų | 212 | 163.8 Ų | 163.8 | 93% | 0.93 | 86% | 0.858 | S | S | * | * | trans | -103 | 102.7 | 162 | -84.7 | -81.7 | 0 | 0 | 0 | 107.9 | ||||
| 300 | D | 40 | Very low | 36.2 | Very low | 123 Ų | 123 | 160.4 Ų | 160.4 | 66% | 0.658 | 86% | 0.855 | S | S | * | * | trans | -94.7 | 131.2 | 163.7 | -93.1 | -26.8 | 0 | 0 | 0 | 109.9 | L298 | L298-D300 WeakPolarHBondContact CD2-OD2 3.33Š| ||
| 301 | Q | 39.6 | Very low | 36.5 | Very low | 179 Ų | 179 | 159.8 Ų | 159.8 | 84% | 0.836 | 85% | 0.851 | S | S | * | * | trans | 36.6 | 111.8 | 145.8 | -74.8 | 171.7 | -34.9 | 0 | 0 | 119.9 | ||||
| 302 | L | 37.6 | Very low | 36.5 | Very low | 251 Ų | 251 | 159.4 Ų | 159.4 | 100% | 1.314 | 86% | 0.859 | S | S | * | * | -154.2 | 0 | 121.7 | -101.3 | 164.1 | 0 | 0 | 0 | 109.8 |
Retrieved 302 of 302 residues in 68.8 ms
(Link to these results)