| 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 | L | 39.8 | Very low | 46.2 | Very low | 218 Ų | 218 | 135.5 Ų | 135.5 | 100% | 1.141 | 70% | 0.698 | S | S | * | * | 0 | 79.2 | 0 | -80.9 | 145.6 | 0 | 0 | 0 | 108.3 | T3 | L1-T3 PolarHBondContact O-N 3.13Š| |||
| 2 | V | 40.7 | Very low | 46.3 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -95.8 | 93.3 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | T | 45.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -81 | 117 | 171 | 40 | 0 | 0 | 0 | 0 | 108.5 | L1 | L1-T3 PolarHBondContact O-N 3.13Š| ||
| 4 | S | 44.6 | Very low | 47.3 | Very low | 59 Ų | 59 | 136.9 Ų | 136.9 | 41% | 0.413 | 69% | 0.688 | S | S | . | * | trans | -52.5 | 138.4 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 112.8 | E6 K7 | S4-E6 PolarHBondContact O-N 2.66Å; S4-E6 VanDerWaalsContact O-N 3.09Å; S4-K7 PolarHBondContact O-N 3Å | ||
| 5 | P | 51.3 | Low | 47.3 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.9 | -17.6 | -177.5 | 22.3 | -32.2 | 0 | 0 | 0 | 114.6 | ||
| 6 | E | 51.7 | Low | 47.6 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.7 | -33.5 | 178.1 | -71.1 | -176.6 | 147.9 | 0 | 0 | 113.5 | S4 M8 R9 | S4-E6 PolarHBondContact O-N 2.66Å; S4-E6 VanDerWaalsContact O-N 3.09Å; E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.13Å; E6-R9 PolarHBondContact O-N 3.44Å |
| 7 | K | 47.3 | Very low | 47.6 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.3 | -29.5 | 177.3 | -93.4 | -176.9 | 177.5 | 179 | 0 | 112.8 | S4 T11 | S4-K7 PolarHBondContact O-N 3Å; K7-T11 PolarHBondContact O-N 3.38Å; K7-T11 PolarHBondContact O-OG1 3.5Å |
| 8 | M | 44.9 | Very low | 47.9 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.9 | -35.8 | 175.8 | -94.9 | -170 | -87.9 | 0 | 0 | 112.2 | E6 T11 L12 | E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.13Å; M8-T11 PolarHBondContact O-N 3.04Å; M8-L12 PolarHBondContact O-N 3.07Å |
| 9 | R | 49.6 | Very low | 48.4 | Very low | 205 Ų | 205 | 124.2 Ų | 124.2 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | -177.4 | -149.7 | 175.5 | 175.1 | -162.2 | -2.6 | 112.4 | E6 L13 | E6-R9 PolarHBondContact O-N 3.44Å; R9-L13 PolarHBondContact O-N 2.67Å |
| 10 | H | 44.7 | Very low | 48.7 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.5 | -33.4 | 174 | -78.9 | -70.1 | 0 | 0 | 0 | 113.5 | R14 | H10-R14 PolarHBondContact O-N 2.94Å |
| 11 | T | 47.9 | Very low | 49 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.6 | -42.6 | 178.6 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | K7 M8 L13 R14 C15 | K7-T11 PolarHBondContact O-N 3.38Å; K7-T11 PolarHBondContact O-OG1 3.5Å; M8-T11 PolarHBondContact O-N 3.04Å; T11-L13 PolarHBondContact O-N 2.75Å; T11-R14 PolarHBondContact O-N 2.97Å; T11-C15 PolarHBondContact O-N 3.06Å; T11-C15 PolarHBondContact O-SG 3.37Å; T11-C15 VanDerWaalsContact O-SG 3.41Å |
| 12 | L | 47.9 | Very low | 49.8 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 174.8 | -86.7 | 158 | 0 | 0 | 0 | 112.7 | M8 C15 L16 | M8-L12 PolarHBondContact O-N 3.07Å; L12-C15 PolarHBondContact O-N 3.05Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.4Å |
| 13 | L | 56.3 | Low | 50.7 | Low | 124 Ų | 124 | 117.7 Ų | 117.7 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -38.4 | 178.3 | -150.7 | 80.7 | 0 | 0 | 0 | 112.1 | R9 T11 S17 | R9-L13 PolarHBondContact O-N 2.67Å; T11-L13 PolarHBondContact O-N 2.75Å; L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-N 3.04Å |
| 14 | R | 49.3 | Very low | 51.4 | Low | 192 Ų | 192 | 116.3 Ų | 116.3 | 73% | 0.725 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.9 | -41.8 | 173.3 | -81.7 | -176.1 | 175.2 | -176.6 | -1.1 | 111.9 | H10 T11 S17 M18 | H10-R14 PolarHBondContact O-N 2.94Å; T11-R14 PolarHBondContact O-N 2.97Å; R14-S17 PolarHBondContact O-N 3.44Å; R14-M18 VanDerWaalsContact O-CG 3.27Å; R14-M18 WeakPolarHBondContact O-CG 3.36Å; R14-M18 PolarHBondContact O-N 3.43Å |
| 15 | C | 47.8 | Very low | 51.8 | Low | 73 Ų | 73 | 117.4 Ų | 117.4 | 49% | 0.493 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -44.4 | 175.5 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | T11 L12 S17 M18 T19 | T11-C15 PolarHBondContact O-N 3.06Å; T11-C15 PolarHBondContact O-SG 3.37Å; T11-C15 VanDerWaalsContact O-SG 3.41Å; L12-C15 PolarHBondContact O-N 3.05Å; C15-S17 PolarHBondContact O-N 3.02Å; C15-M18 PolarHBondContact O-N 2.97Å; C15-T19 PolarHBondContact O-N 3.29Å; C15-T19 PolarHBondContact O-OG1 2.74Å |
| 16 | L | 51.7 | Low | 51.7 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.3 | -42.1 | 176.9 | -72.8 | 166.8 | 0 | 0 | 0 | 111.8 | L12 T19 F20 | L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.4Å; L16-T19 PolarHBondContact O-N 3.01Å; L16-F20 WeakPolarHBondContact O-CB 3.32Å; L16-F20 PolarHBondContact O-N 3.27Å |
| 17 | S | 48 | Very low | 51.7 | Low | 55 Ų | 55 | 115 Ų | 115 | 39% | 0.385 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.7 | -48 | 175.2 | 178 | 0 | 0 | 0 | 0 | 111.9 | L13 R14 C15 T19 F20 Y21 | L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-N 3.04Å; R14-S17 PolarHBondContact O-N 3.44Å; C15-S17 PolarHBondContact O-N 3.02Å; S17-T19 VanDerWaalsContact C-N 3.32Å; S17-T19 PolarHBondContact O-N 3.01Å; S17-F20 PolarHBondContact O-N 3.07Å; S17-Y21 VanDerWaalsContact O-CD2 3.32Å; S17-Y21 WeakPolarHBondContact O-CD2 3.33Å; S17-Y21 PolarHBondContact O-N 2.95Å |
| 18 | M | 53.8 | Low | 51.8 | Low | 129 Ų | 129 | 110.6 Ų | 110.6 | 64% | 0.635 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 176.8 | -68.1 | -65.2 | 170.1 | 0 | 0 | 112 | R14 C15 F20 Y21 V22 | R14-M18 VanDerWaalsContact O-CG 3.27Å; R14-M18 WeakPolarHBondContact O-CG 3.36Å; R14-M18 PolarHBondContact O-N 3.43Å; C15-M18 PolarHBondContact O-N 2.97Å; M18-F20 VanDerWaalsContact C-N 3.34Å; M18-Y21 PolarHBondContact O-N 2.94Å; M18-V22 VanDerWaalsContact O-CG2 3.26Å; M18-V22 WeakPolarHBondContact O-CG2 3.44Å; M18-V22 PolarHBondContact O-N 3.38Å; M18-V22 VanDerWaalsContact O-N 3.08Å |
| 19 | T | 56.7 | Low | 52.2 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.5 | -38.9 | 0 | 0 | 0 | 0 | 110.9 | C15 L16 S17 V22 I23 | C15-T19 PolarHBondContact O-N 3.29Å; C15-T19 PolarHBondContact O-OG1 2.74Å; L16-T19 PolarHBondContact O-N 3.01Å; S17-T19 VanDerWaalsContact C-N 3.32Å; S17-T19 PolarHBondContact O-N 3.01Å; T19-V22 PolarHBondContact O-N 3.4Å; T19-I23 HydrophobicContact CG2-CD1 3.97Å; T19-I23 WeakPolarHBondContact O-CB 3.44Å; T19-I23 WeakPolarHBondContact O-CD1 3.45Å; T19-I23 WeakPolarHBondContact O-CG1 3.3Å; T19-I23 PolarHBondContact O-N 3.48Å |
| 20 | F | 54.6 | Low | 52.2 | Low | 146 Ų | 146 | 104.7 Ų | 104.7 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 177.8 | -151.9 | -94.9 | 0 | 0 | 0 | 112 | L16 S17 M18 V22 I23 V24 | L16-F20 WeakPolarHBondContact O-CB 3.32Å; L16-F20 PolarHBondContact O-N 3.27Å; S17-F20 PolarHBondContact O-N 3.07Å; M18-F20 VanDerWaalsContact C-N 3.34Å; F20-V22 VanDerWaalsContact C-N 3.33Å; F20-V22 PolarHBondContact O-N 3.43Å; F20-I23 PolarHBondContact O-N 3.02Å; F20-V24 HydrophobicContact CD1-CG2 3.85Å; F20-V24 HydrophobicContact CE1-CG2 3.73Å; F20-V24 HydrophobicContact CZ-CG2 4.4Å; F20-V24 WeakPolarHBondContact O-CB 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 3.2Å |
| 21 | Y | 55.1 | Low | 52.6 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 174.2 | -92.1 | -73.5 | 0 | 0 | 0 | 112.2 | S17 M18 L25 | S17-Y21 VanDerWaalsContact O-CD2 3.32Å; S17-Y21 WeakPolarHBondContact O-CD2 3.33Å; S17-Y21 PolarHBondContact O-N 2.95Å; M18-Y21 PolarHBondContact O-N 2.94Å; Y21-L25 HydrophobicContact CD1-CD1 3.7Å; Y21-L25 HydrophobicContact CD1-CG 4.3Å; Y21-L25 HydrophobicContact CE1-CD1 4.48Å; Y21-L25 WeakPolarHBondContact O-CB 3.43Å; Y21-L25 WeakPolarHBondContact O-CG 3.46Å; Y21-L25 PolarHBondContact O-N 3.43Å |
| 22 | V | 57 | Low | 52.9 | Low | 79 Ų | 79 | 98.1 Ų | 98.1 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | M18 T19 F20 V24 W26 | M18-V22 VanDerWaalsContact O-CG2 3.26Å; M18-V22 WeakPolarHBondContact O-CG2 3.44Å; M18-V22 PolarHBondContact O-N 3.38Å; M18-V22 VanDerWaalsContact O-N 3.08Å; T19-V22 PolarHBondContact O-N 3.4Å; F20-V22 VanDerWaalsContact C-N 3.33Å; F20-V22 PolarHBondContact O-N 3.43Å; V22-V24 PolarHBondContact O-N 3.04Å; V22-W26 HydrophobicContact CG1-CE3 3.74Å; V22-W26 HydrophobicContact CG1-CZ3 4.28Å; V22-W26 WeakPolarHBondContact O-CB 3.3Å; V22-W26 PolarHBondContact O-N 3.11Å; V22-W26 VanDerWaalsContact O-N 3.16Å |
| 23 | I | 59.8 | Low | 53.3 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -35.6 | 179.8 | -68.4 | 165.1 | 0 | 0 | 0 | 112.1 | T19 F20 P27 | T19-I23 HydrophobicContact CG2-CD1 3.97Å; T19-I23 WeakPolarHBondContact O-CB 3.44Å; T19-I23 WeakPolarHBondContact O-CD1 3.45Å; T19-I23 WeakPolarHBondContact O-CG1 3.3Å; T19-I23 PolarHBondContact O-N 3.48Å; F20-I23 PolarHBondContact O-N 3.02Å; I23-P27 WeakPolarHBondContact O-CD 3.33Å; I23-P27 WeakPolarHBondContact O-CG 3.47Å |
| 24 | V | 58.5 | Low | 53.5 | Low | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -86.8 | -41.5 | -176.9 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | F20 V22 | F20-V24 HydrophobicContact CD1-CG2 3.85Å; F20-V24 HydrophobicContact CE1-CG2 3.73Å; F20-V24 HydrophobicContact CZ-CG2 4.4Å; F20-V24 WeakPolarHBondContact O-CB 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 3.2Å; V22-V24 PolarHBondContact O-N 3.04Å |
| 25 | L | 54.1 | Low | 54.6 | Low | 82 Ų | 82 | 86 Ų | 86 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -80.8 | -31.7 | -175.3 | -66.3 | 176.4 | 0 | 0 | 0 | 113.2 | Y21 Y28 K29 M226 | Y21-L25 HydrophobicContact CD1-CD1 3.7Å; Y21-L25 HydrophobicContact CD1-CG 4.3Å; Y21-L25 HydrophobicContact CE1-CD1 4.48Å; Y21-L25 WeakPolarHBondContact O-CB 3.43Å; Y21-L25 WeakPolarHBondContact O-CG 3.46Å; Y21-L25 PolarHBondContact O-N 3.43Å; L25-Y28 PolarHBondContact O-N 2.99Å; L25-K29 PolarHBondContact O-N 3.28Å; L25-M226 HydrophobicContact CD2-CE 4.03Å |
| 26 | W | 48.6 | Very low | 55.9 | Low | 120 Ų | 120 | 82.5 Ų | 82.5 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -54.5 | -179.6 | -165.2 | -45.8 | 0 | 0 | 0 | 112.7 | V22 Y28 K29 F30 W490 | V22-W26 HydrophobicContact CG1-CE3 3.74Å; V22-W26 HydrophobicContact CG1-CZ3 4.28Å; V22-W26 WeakPolarHBondContact O-CB 3.3Å; V22-W26 PolarHBondContact O-N 3.11Å; V22-W26 VanDerWaalsContact O-N 3.16Å; W26-Y28 PolarHBondContact O-N 3.46Å; W26-K29 PolarHBondContact O-N 3.34Å; W26-F30 AromaticContact CD1-CD2 3.35Å; W26-F30 AromaticContact CD1-CE2 3.35Å; W26-F30 AromaticContact CE2-CE2 3.96Å; W26-F30 HydrophobicContact CG-CE2 4.49Å; W26-F30 AromaticContact NE1-CD2 3.45Å; W26-F30 AromaticContact NE1-CE2 2.92Å; W26-F30 AromaticContact NE1-CZ 3.65Å; W26-F30 WeakPolarHBondContact O-CD2 3.27Å; W26-F30 PolarHBondContact O-N 3.25Å; W26-W490 AromaticContact CZ2-CZ3 3.83Å; W26-W490 HydrophobicContact CZ2-CZ3 3.83Å |
| 27 | P | 52.6 | Low | 57.3 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -33 | -178.1 | 24.5 | -33.4 | 0 | 0 | 0 | 111.8 | I23 K29 F30 S31 | I23-P27 WeakPolarHBondContact O-CD 3.33Å; I23-P27 WeakPolarHBondContact O-CG 3.47Å; P27-K29 PolarHBondContact O-N 2.82Å; P27-F30 PolarHBondContact O-N 3.32Å; P27-S31 PolarHBondContact O-N 3.07Å; P27-S31 VanDerWaalsContact O-N 3.07Å |
| 28 | Y | 50 | Low | 58.8 | Low | 75 Ų | 75 | 83 Ų | 83 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | -179.1 | -163.3 | -108.1 | 0 | 0 | 0 | 113 | L25 W26 F30 S31 T225 | L25-Y28 PolarHBondContact O-N 2.99Å; W26-Y28 PolarHBondContact O-N 3.46Å; Y28-F30 PolarHBondContact O-N 3.22Å; Y28-S31 WeakPolarHBondContact O-CB 3.35Å; Y28-S31 PolarHBondContact O-N 3.41Å; Y28-T225 WeakPolarHBondContact CE1-OG1 3.09Å; Y28-T225 PolarHBondContact OH-O 3.44Å |
| 29 | K | 52.4 | Low | 59.9 | Low | 130 Ų | 130 | 80 Ų | 80 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.2 | -30 | 174.4 | -164.3 | 178.4 | -178.7 | -175.5 | 0 | 112 | L25 W26 P27 | L25-K29 PolarHBondContact O-N 3.28Å; W26-K29 PolarHBondContact O-N 3.34Å; P27-K29 PolarHBondContact O-N 2.82Å |
| 30 | F | 49.7 | Very low | 60.5 | Low | 65 Ų | 65 | 79 Ų | 79 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75.2 | -31.9 | 176.6 | -87.6 | -99.4 | 0 | 0 | 0 | 113.1 | W26 P27 Y28 K32 S33 E34 W490 | W26-F30 AromaticContact CD1-CD2 3.35Å; W26-F30 AromaticContact CD1-CE2 3.35Å; W26-F30 AromaticContact CE2-CE2 3.96Å; W26-F30 HydrophobicContact CG-CE2 4.49Å; W26-F30 AromaticContact NE1-CD2 3.45Å; W26-F30 AromaticContact NE1-CE2 2.92Å; W26-F30 AromaticContact NE1-CZ 3.65Å; W26-F30 WeakPolarHBondContact O-CD2 3.27Å; W26-F30 PolarHBondContact O-N 3.25Å; P27-F30 PolarHBondContact O-N 3.32Å; Y28-F30 PolarHBondContact O-N 3.22Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.5Å; F30-S33 PolarHBondContact O-N 3.06Å; F30-S33 VanDerWaalsContact O-N 3.11Å; F30-S33 PolarHBondContact O-OG 3.41Å; F30-E34 PolarHBondContact O-N 3.33Å; F30-E34 VanDerWaalsContact O-N 3.07Å; F30-W490 AromaticContact CE1-CH2 3.86Å; F30-W490 HydrophobicContact CE1-CH2 3.86Å; F30-W490 HydrophobicContact CE1-CZ2 4.25Å; F30-W490 AromaticContact CZ-CH2 3.64Å; F30-W490 HydrophobicContact CZ-CH2 3.64Å; F30-W490 HydrophobicContact CZ-CZ2 4.46Å |
| 31 | S | 53.1 | Low | 61.5 | Low | 53 Ų | 53 | 79.9 Ų | 79.9 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.1 | -44.4 | -178.9 | -164.3 | 0 | 0 | 0 | 0 | 112.9 | P27 Y28 S33 E34 D35 | P27-S31 PolarHBondContact O-N 3.07Å; P27-S31 VanDerWaalsContact O-N 3.07Å; Y28-S31 WeakPolarHBondContact O-CB 3.35Å; Y28-S31 PolarHBondContact O-N 3.41Å; S31-S33 PolarHBondContact O-N 2.98Å; S31-E34 CarbonylContact O-C 3.51Å; S31-E34 WeakPolarHBondContact O-CA 3.43Å; S31-E34 WeakPolarHBondContact O-CB 3.38Å; S31-E34 PolarHBondContact O-N 3.06Å; S31-D35 PolarHBondContact O-N 3.05Å; S31-D35 VanDerWaalsContact O-OD1 3.14Å |
| 32 | K | 53 | Low | 62.2 | Low | 32 Ų | 32 | 74.6 Ų | 74.6 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.4 | -21.6 | -178.7 | -155.7 | -178 | -160.6 | -172.3 | 0 | 113.5 | F30 E34 Y61 N62 T225 | F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.5Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-Y61 WeakPolarHBondContact CE-O 3.41Å; K32-Y61 HydrophobicContact CG-CE1 4.29Å; K32-Y61 WeakPolarHBondContact CG-OH 3.37Å; K32-Y61 PolarHBondContact NZ-O 3.49Å; K32-Y61 PolarHBondContact O-OH 2.01Å; K32-N62 WeakPolarHBondContact CD-OD1 3.34Å; K32-N62 WeakPolarHBondContact CE-OD1 3.46Å; K32-N62 PolarHBondContact NZ-OD1 3.45Å; K32-T225 HydrophobicContact CD-CG2 3.69Å |
| 33 | S | 57.3 | Low | 62.7 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 164.4 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | F30 S31 C37 | F30-S33 PolarHBondContact O-N 3.06Å; F30-S33 VanDerWaalsContact O-N 3.11Å; F30-S33 PolarHBondContact O-OG 3.41Å; S31-S33 PolarHBondContact O-N 2.98Å; S33-C37 WeakPolarHBondContact O-CB 3.15Å; S33-C37 PolarHBondContact O-N 3.45Å; S33-C37 PolarHBondContact O-SG 2.95Å |
| 34 | E | 59.7 | Low | 63.1 | Low | 63 Ų | 63 | 74 Ų | 74 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -178.6 | -135.1 | 99.6 | -154.1 | 0 | 0 | 112.2 | F30 S31 K32 I36 C37 E38 K197 | F30-E34 PolarHBondContact O-N 3.33Å; F30-E34 VanDerWaalsContact O-N 3.07Å; S31-E34 CarbonylContact O-C 3.51Å; S31-E34 WeakPolarHBondContact O-CA 3.43Å; S31-E34 WeakPolarHBondContact O-CB 3.38Å; S31-E34 PolarHBondContact O-N 3.06Å; K32-E34 VanDerWaalsContact C-N 3.32Å; E34-I36 PolarHBondContact O-N 3.29Å; E34-C37 CarbonylContact O-C 3.48Å; E34-C37 WeakPolarHBondContact O-CA 3.41Å; E34-C37 VanDerWaalsContact O-CB 3.31Å; E34-C37 WeakPolarHBondContact O-CB 3.42Å; E34-C37 PolarHBondContact O-N 3.31Å; E34-E38 HydrophobicContact CG-CG 4.44Å; E34-E38 WeakPolarHBondContact CG-OE1 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.39Å; E34-E38 PolarHBondContact O-N 3.48Å; E34-K197 IonicContact OE1-NZ 2.98Å; E34-K197 PolarHBondContact OE1-NZ 3.32Å |
| 35 | D | 72.3 | Confident | 63.9 | Low | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.353 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56 | -49.7 | -174.7 | -64.2 | -13.2 | 0 | 0 | 0 | 113.4 | S31 C37 E38 D39 L42 Y61 | S31-D35 PolarHBondContact O-N 3.05Å; S31-D35 VanDerWaalsContact O-OD1 3.14Å; D35-C37 VanDerWaalsContact C-N 3.32Å; D35-E38 PolarHBondContact O-N 2.86Å; D35-D39 PolarHBondContact O-N 3.18Å; D35-L42 HydrophobicContact CB-CD1 4.02Å; D35-Y61 HydrophobicContact CB-CE2 4.4Å |
| 36 | I | 75.4 | Confident | 65.4 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.3 | -23.7 | 176.2 | -165.2 | 171.6 | 0 | 0 | 0 | 112.8 | E34 E38 Q43 Y61 I194 K201 P203 | E34-I36 PolarHBondContact O-N 3.29Å; I36-E38 VanDerWaalsContact C-N 3.31Å; I36-Q43 HydrophobicContact CD1-CB 3.69Å; I36-Q43 HydrophobicContact CG1-CB 4.14Å; I36-Y61 HydrophobicContact CB-CE1 3.85Å; I36-Y61 HydrophobicContact CB-CE2 4Å; I36-Y61 WeakPolarHBondContact CB-OH 3.49Å; I36-Y61 HydrophobicContact CD1-CD1 3.96Å; I36-Y61 HydrophobicContact CD1-CE1 3.97Å; I36-Y61 HydrophobicContact CD1-CG 4.4Å; I36-Y61 HydrophobicContact CG1-CE1 4.47Å; I36-Y61 HydrophobicContact CG2-CE1 3.94Å; I36-Y61 PolarHBondContact N-OH 2.97Å; I36-Y61 VanDerWaalsContact N-OH 3.14Å; I36-I194 HydrophobicContact CD1-CD1 4.12Å; I36-I194 HydrophobicContact CG2-CB 4.49Å; I36-I194 HydrophobicContact CG2-CD1 3.9Å; I36-I194 HydrophobicContact CG2-CG2 3.94Å; I36-K201 HydrophobicContact CD1-CB 4.4Å; I36-K201 HydrophobicContact CG1-CB 4.42Å; I36-P203 HydrophobicContact CD1-CB 4.13Å; I36-P203 HydrophobicContact CD1-CG 4.27Å |
| 37 | C | 81.7 | Confident | 67.1 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -30.5 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | S33 E34 D35 C196 | S33-C37 WeakPolarHBondContact O-CB 3.15Å; S33-C37 PolarHBondContact O-N 3.45Å; S33-C37 PolarHBondContact O-SG 2.95Å; E34-C37 CarbonylContact O-C 3.48Å; E34-C37 WeakPolarHBondContact O-CA 3.41Å; E34-C37 VanDerWaalsContact O-CB 3.31Å; E34-C37 WeakPolarHBondContact O-CB 3.42Å; E34-C37 PolarHBondContact O-N 3.31Å; D35-C37 VanDerWaalsContact C-N 3.32Å; C37-C196 WeakPolarHBondContact CA-SG 3.36Å; C37-C196 HydrophobicContact CB-CB 3.58Å; C37-C196 WeakPolarHBondContact CB-SG 3.45Å; C37-C196 WeakPolarHBondContact SG-CA 3.44Å; C37-C196 WeakPolarHBondContact SG-CB 3.4Å; C37-C196 CovalentContact SG-SG 2.01Å; C37-C196 PolarHBondContact SG-SG 3.4Å |
| 38 | E | 79 | Confident | 68.9 | Low | 150 Ų | 150 | 70.4 Ų | 70.4 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -86.7 | -46.3 | 177.2 | -69.8 | -179.7 | -177.3 | 0 | 0 | 112.1 | E34 D35 I36 | E34-E38 HydrophobicContact CG-CG 4.44Å; E34-E38 WeakPolarHBondContact CG-OE1 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.39Å; E34-E38 PolarHBondContact O-N 3.48Å; D35-E38 PolarHBondContact O-N 2.86Å; I36-E38 VanDerWaalsContact C-N 3.31Å |
| 39 | D | 76.5 | Confident | 70.8 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | trans | -115.6 | 95.3 | 177.7 | -176.1 | 7.4 | 0 | 0 | 0 | 111.5 | D35 K41 L42 | D35-D39 PolarHBondContact O-N 3.18Å; D39-K41 PolarHBondContact O-N 2.98Å; D39-K41 VanDerWaalsContact O-N 3.12Å; D39-K41 WeakPolarHBondContact OD1-CA 3.48Å; D39-K41 WeakPolarHBondContact OD1-CB 3.49Å; D39-K41 WeakPolarHBondContact OD1-CG 3.26Å; D39-K41 PolarHBondContact OD1-N 3.4Å; D39-L42 HydrophobicContact CB-CD1 4.01Å; D39-L42 HydrophobicContact CB-CG 3.94Å; D39-L42 WeakPolarHBondContact O-CB 3.27Å; D39-L42 PolarHBondContact O-N 2.79Å; D39-L42 VanDerWaalsContact O-N 3.12Å | ||
| 40 | S | 70.6 | Confident | 72.6 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -61.8 | -19.8 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | L42 Q43 | S40-L42 PolarHBondContact O-N 2.92Å; S40-Q43 WeakPolarHBondContact O-CG 3.17Å; S40-Q43 PolarHBondContact O-N 3.31Å; S40-Q43 PolarHBondContact O-NE2 2.71Å |
| 41 | K | 74.5 | Confident | 74.6 | Confident | 163 Ų | 163 | 63.4 Ų | 63.4 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.9 | 178.4 | -59.2 | 179.9 | 177.8 | 177.2 | 0 | 111.6 | D39 Q43 H44 R45 | D39-K41 PolarHBondContact O-N 2.98Å; D39-K41 VanDerWaalsContact O-N 3.12Å; D39-K41 WeakPolarHBondContact OD1-CA 3.48Å; D39-K41 WeakPolarHBondContact OD1-CB 3.49Å; D39-K41 WeakPolarHBondContact OD1-CG 3.26Å; D39-K41 PolarHBondContact OD1-N 3.4Å; K41-Q43 PolarHBondContact O-N 2.86Å; K41-H44 PolarHBondContact O-N 3.13Å; K41-R45 PolarHBondContact O-N 3.48Å |
| 42 | L | 71.5 | Confident | 76.4 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.5 | 176.2 | -66.1 | 178.6 | 0 | 0 | 0 | 112.7 | D35 D39 S40 H44 R45 Y61 | D35-L42 HydrophobicContact CB-CD1 4.02Å; D39-L42 HydrophobicContact CB-CD1 4.01Å; D39-L42 HydrophobicContact CB-CG 3.94Å; D39-L42 WeakPolarHBondContact O-CB 3.27Å; D39-L42 PolarHBondContact O-N 2.79Å; D39-L42 VanDerWaalsContact O-N 3.12Å; S40-L42 PolarHBondContact O-N 2.92Å; L42-H44 PolarHBondContact O-N 3.36Å; L42-R45 PolarHBondContact O-N 3.05Å; L42-Y61 HydrophobicContact CB-CD2 3.83Å; L42-Y61 HydrophobicContact CB-CE2 4.07Å; L42-Y61 HydrophobicContact CD1-CD2 4.43Å; L42-Y61 HydrophobicContact CD1-CE2 3.98Å |
| 43 | Q | 65.6 | Low | 78.3 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -65.8 | -21.4 | 179.9 | 87.9 | -167.2 | -26 | 0 | 0 | 113.4 | I36 S40 K41 P203 | I36-Q43 HydrophobicContact CD1-CB 3.69Å; I36-Q43 HydrophobicContact CG1-CB 4.14Å; S40-Q43 WeakPolarHBondContact O-CG 3.17Å; S40-Q43 PolarHBondContact O-N 3.31Å; S40-Q43 PolarHBondContact O-NE2 2.71Å; K41-Q43 PolarHBondContact O-N 2.86Å; Q43-P203 HydrophobicContact CB-CB 4.44Å |
| 44 | H | 69.7 | Low | 80 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 64% | 0.644 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -111.4 | 1.8 | 180 | -58.4 | -55.5 | 0 | 0 | 0 | 112.8 | K41 L42 Q46 | K41-H44 PolarHBondContact O-N 3.13Å; L42-H44 PolarHBondContact O-N 3.36Å; H44-Q46 PolarHBondContact O-N 2.93Å |
| 45 | R | 74.4 | Confident | 81.6 | Confident | 119 Ų | 119 | 69.4 Ų | 69.4 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -75.5 | 111.5 | -175.6 | -171.3 | 176.2 | -176.3 | 175.2 | 5.3 | 110.5 | K41 L42 N47 | K41-R45 PolarHBondContact O-N 3.48Å; L42-R45 PolarHBondContact O-N 3.05Å; R45-N47 PolarHBondContact NE-OD1 3.07Å | ||
| 46 | Q | 84.8 | Confident | 82.6 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | trans | -111 | 118.7 | 171.5 | 175.1 | 178.8 | -8.5 | 0 | 0 | 109.5 | H44 V48 H60 | H44-Q46 PolarHBondContact O-N 2.93Å; Q46-V48 HydrophobicContact CG-CG2 4.02Å; Q46-H60 VanDerWaalsContact CG-CE1 3.47Å; Q46-H60 WeakPolarHBondContact CG-CE1 3.48Å | ||
| 47 | N | 86 | Confident | 83.5 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 99.3 | 171.6 | -69.4 | -9.8 | 0 | 0 | 0 | 108.6 | R45 I49 S58 L59 A252 | R45-N47 PolarHBondContact NE-OD1 3.07Å; N47-I49 HydrophobicContact CB-CD1 4.37Å; N47-I49 PolarHBondContact O-N 3.46Å; N47-S58 CarbonylContact O-C 3.56Å; N47-S58 VanDerWaalsContact O-CA 3.27Å; N47-S58 WeakPolarHBondContact O-CA 3.3Å; N47-L59 HydrophobicContact CB-CB 4.39Å; N47-L59 PolarHBondContact N-O 3.46Å; N47-L59 PolarHBondContact O-N 2.03Å; N47-A252 HydrophobicContact CB-CB 4.25Å |
| 48 | V | 90.2 | Very high | 84 | Confident | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | Q46 Q51 Q56 K251 | Q46-V48 HydrophobicContact CG-CG2 4.02Å; V48-Q51 HydrophobicContact CG1-CB 3.92Å; V48-Q56 HydrophobicContact CG1-CG 4.13Å; V48-K251 WeakPolarHBondContact O-CD 3.48Å; V48-K251 VanDerWaalsContact O-CE 3.24Å; V48-K251 WeakPolarHBondContact O-CE 3.33Å; V48-K251 PolarHBondContact O-NZ 3.21Å |
| 49 | I | 89.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -60.5 | -177.3 | -47.8 | -56 | 0 | 0 | 0 | 109.3 | N47 Y57 L59 K251 A252 D270 | N47-I49 HydrophobicContact CB-CD1 4.37Å; N47-I49 PolarHBondContact O-N 3.46Å; I49-Y57 HydrophobicContact CB-CD1 3.95Å; I49-Y57 HydrophobicContact CG1-CD1 3.84Å; I49-Y57 HydrophobicContact CG1-CE1 4.23Å; I49-Y57 PolarHBondContact N-O 3.49Å; I49-L59 HydrophobicContact CD1-CD1 3.9Å; I49-L59 HydrophobicContact CD1-CG 3.98Å; I49-L59 HydrophobicContact CG1-CD1 4.29Å; I49-L59 HydrophobicContact CG1-CG 3.97Å; I49-K251 HydrophobicContact CG2-CB 4.49Å; I49-K251 WeakPolarHBondContact O-CD 3.29Å; I49-K251 WeakPolarHBondContact O-CE 3.33Å; I49-K251 PolarHBondContact O-NZ 2.88Å; I49-A252 HydrophobicContact CD1-CB 3.38Å; I49-D270 WeakPolarHBondContact CG2-O 3.47Å |
| 50 | V | 90.4 | Very high | 85.2 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.4 | 177 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | Y55 Q56 Y57 V273 | V50-Y55 HydrophobicContact CG1-CD1 4.03Å; V50-Y55 HydrophobicContact CG1-CE1 3.61Å; V50-Y55 HydrophobicContact CG2-CD1 4.31Å; V50-Q56 WeakPolarHBondContact O-CA 3.42Å; V50-Y57 PolarHBondContact N-O 3.07Å; V50-Y57 PolarHBondContact O-N 3.4Å; V50-V273 HydrophobicContact CB-CB 4.47Å; V50-V273 HydrophobicContact CB-CG2 4.16Å; V50-V273 HydrophobicContact CG1-CG2 4.41Å; V50-V273 HydrophobicContact CG2-CB 4.32Å; V50-V273 HydrophobicContact CG2-CG1 4.32Å; V50-V273 HydrophobicContact CG2-CG2 4.02Å |
| 51 | Q | 91.3 | Very high | 85.6 | Confident | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 132.4 | 174.2 | -167.6 | -171.2 | -77.5 | 0 | 0 | 109.2 | V48 Y55 Q56 K210 W211 | V48-Q51 HydrophobicContact CG1-CB 3.92Å; Q51-Y55 CarbonylContact C-O 3.58Å; Q51-Y55 WeakPolarHBondContact CA-O 3.44Å; Q51-Q56 HydrophobicContact CB-CG 4.28Å; Q51-Q56 HydrophobicContact CG-CB 4.19Å; Q51-Q56 HydrophobicContact CG-CG 4.05Å; Q51-K210 VanDerWaalsContact OE1-NZ 3.1Å; Q51-W211 HydrophobicContact CG-CZ2 4.1Å |
| 52 | N | 91.9 | Very high | 86.1 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | trans | -133 | -160.7 | 164.1 | 66.3 | 30.3 | 0 | 0 | 0 | 108.4 | S54 Y55 W211 | N52-S54 PolarHBondContact OD1-N 3.11Å; N52-S54 PolarHBondContact OD1-OG 3.27Å; N52-Y55 PolarHBondContact N-O 3.37Å; N52-Y55 WeakPolarHBondContact OD1-CA 3.24Å; N52-Y55 WeakPolarHBondContact OD1-CB 3.48Å; N52-Y55 PolarHBondContact OD1-N 2.88Å; N52-W211 VanDerWaalsContact O-CH2 3.31Å; N52-W211 WeakPolarHBondContact O-CH2 3.46Å | ||
| 53 | D | 91.7 | Very high | 87 | Confident | 154 Ų | 154 | 46.1 Ų | 46.1 | 82% | 0.824 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -76.7 | -21 | -175.9 | -62.7 | -29.2 | 0 | 0 | 0 | 114.6 | W211 | D53-W211 WeakPolarHBondContact O-CZ3 3.27Š|
| 54 | S | 93.5 | Very high | 88.3 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -121.7 | -2.7 | -177 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | N52 R68 C69 | N52-S54 PolarHBondContact OD1-N 3.11Å; N52-S54 PolarHBondContact OD1-OG 3.27Å; S54-R68 CarbonylContact O-C 3.55Å; S54-R68 WeakPolarHBondContact O-CA 3.44Å; S54-C69 PolarHBondContact O-N 3.42Å |
| 55 | Y | 93.7 | Very high | 89.5 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 139.3 | -172.5 | -169.5 | -111.7 | 0 | 0 | 0 | 112.8 | V50 Q51 N52 R66 I67 R68 D270 | V50-Y55 HydrophobicContact CG1-CD1 4.03Å; V50-Y55 HydrophobicContact CG1-CE1 3.61Å; V50-Y55 HydrophobicContact CG2-CD1 4.31Å; Q51-Y55 CarbonylContact C-O 3.58Å; Q51-Y55 WeakPolarHBondContact CA-O 3.44Å; N52-Y55 PolarHBondContact N-O 3.37Å; N52-Y55 WeakPolarHBondContact OD1-CA 3.24Å; N52-Y55 WeakPolarHBondContact OD1-CB 3.48Å; N52-Y55 PolarHBondContact OD1-N 2.88Å; Y55-R66 HydrophobicContact CE2-CG 3.67Å; Y55-R66 WeakPolarHBondContact OH-CD 3.37Å; Y55-R66 WeakPolarHBondContact OH-CG 3.22Å; Y55-R66 PolarHBondContact OH-NE 3.19Å; Y55-R66 VanDerWaalsContact OH-NE 3.12Å; Y55-I67 WeakPolarHBondContact CA-O 3.37Å; Y55-I67 WeakPolarHBondContact CD2-O 3.46Å; Y55-R68 HydrophobicContact CD2-CG 3.65Å; Y55-R68 HydrophobicContact CE2-CG 3.65Å; Y55-D270 VanDerWaalsContact CE1-OD1 3.32Å; Y55-D270 WeakPolarHBondContact CE1-OD1 3.44Å; Y55-D270 VanDerWaalsContact CZ-OD1 3.24Å; Y55-D270 PolarHBondContact OH-OD1 2.89Å; Y55-D270 PolarHBondContact OH-OD2 2.99Å |
| 56 | Q | 93.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 134.5 | 166.2 | -172.4 | -174.3 | -47.9 | 0 | 0 | 110.7 | V48 V50 Q51 R66 I67 W211 | V48-Q56 HydrophobicContact CG1-CG 4.13Å; V50-Q56 WeakPolarHBondContact O-CA 3.42Å; Q51-Q56 HydrophobicContact CB-CG 4.28Å; Q51-Q56 HydrophobicContact CG-CB 4.19Å; Q51-Q56 HydrophobicContact CG-CG 4.05Å; Q56-R66 CarbonylContact O-C 3.53Å; Q56-R66 WeakPolarHBondContact O-CA 2.97Å; Q56-I67 HydrophobicContact CB-CB 4.2Å; Q56-I67 HydrophobicContact CB-CD1 4.22Å; Q56-I67 HydrophobicContact CB-CG1 4.46Å; Q56-I67 PolarHBondContact N-O 2.92Å; Q56-I67 PolarHBondContact O-N 3.44Å; Q56-W211 HydrophobicContact CB-CH2 4.33Å; Q56-W211 HydrophobicContact CB-CZ2 3.68Å |
| 57 | Y | 93.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.8 | 165.4 | -173.7 | -111.5 | 0 | 0 | 0 | 110.1 | I49 V50 L59 S64 M65 R66 D270 | I49-Y57 HydrophobicContact CB-CD1 3.95Å; I49-Y57 HydrophobicContact CG1-CD1 3.84Å; I49-Y57 HydrophobicContact CG1-CE1 4.23Å; I49-Y57 PolarHBondContact N-O 3.49Å; V50-Y57 PolarHBondContact N-O 3.07Å; V50-Y57 PolarHBondContact O-N 3.4Å; Y57-L59 HydrophobicContact CE1-CD2 3.85Å; Y57-L59 HydrophobicContact CE1-CG 4.46Å; Y57-S64 VanDerWaalsContact OH-CB 3.26Å; Y57-S64 WeakPolarHBondContact OH-CB 3.39Å; Y57-M65 WeakPolarHBondContact CA-O 2.97Å; Y57-R66 HydrophobicContact CD2-CB 4Å; Y57-R66 HydrophobicContact CD2-CG 4.38Å; Y57-D270 HydrophobicContact CD1-CB 3.59Å; Y57-D270 HydrophobicContact CD2-CB 4.49Å; Y57-D270 HydrophobicContact CE1-CB 4Å; Y57-D270 HydrophobicContact CG-CB 3.86Å |
| 58 | S | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.4 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | N47 H60 S64 M65 | N47-S58 CarbonylContact O-C 3.56Å; N47-S58 VanDerWaalsContact O-CA 3.27Å; N47-S58 WeakPolarHBondContact O-CA 3.3Å; S58-H60 PolarHBondContact OG-NE2 3.46Å; S58-H60 VanDerWaalsContact OG-NE2 3.17Å; S58-S64 CarbonylContact O-C 3.49Å; S58-S64 WeakPolarHBondContact O-CA 3.02Å; S58-M65 PolarHBondContact N-O 3.44Å; S58-M65 PolarHBondContact O-N 2.85Å; S58-M65 PolarHBondContact OG-O 3.33Å |
| 59 | L | 90.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.1 | 176 | -57.9 | 178.1 | 0 | 0 | 0 | 109.8 | N47 I49 Y57 I223 C249 A252 I256 | N47-L59 HydrophobicContact CB-CB 4.39Å; N47-L59 PolarHBondContact N-O 3.46Å; N47-L59 PolarHBondContact O-N 2.03Å; I49-L59 HydrophobicContact CD1-CD1 3.9Å; I49-L59 HydrophobicContact CD1-CG 3.98Å; I49-L59 HydrophobicContact CG1-CD1 4.29Å; I49-L59 HydrophobicContact CG1-CG 3.97Å; Y57-L59 HydrophobicContact CE1-CD2 3.85Å; Y57-L59 HydrophobicContact CE1-CG 4.46Å; L59-I223 HydrophobicContact CB-CD1 4.26Å; L59-I223 HydrophobicContact CD2-CD1 3.83Å; L59-C249 HydrophobicContact CD1-CB 4.47Å; L59-A252 HydrophobicContact CD1-CB 3.91Å; L59-I256 HydrophobicContact CD1-CG2 3.67Å; L59-I256 HydrophobicContact CD2-CG2 4.11Å |
| 60 | H | 89.5 | Confident | 91.9 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -120.7 | -175.2 | 174.9 | -56.5 | -100.6 | 0 | 0 | 0 | 109.9 | Q46 S58 N62 Y63 M65 L205 | Q46-H60 VanDerWaalsContact CG-CE1 3.47Å; Q46-H60 WeakPolarHBondContact CG-CE1 3.48Å; S58-H60 PolarHBondContact OG-NE2 3.46Å; S58-H60 VanDerWaalsContact OG-NE2 3.17Å; H60-N62 PolarHBondContact O-N 3.1Å; H60-Y63 WeakPolarHBondContact CA-O 3.45Å; H60-Y63 VanDerWaalsContact CB-O 3.32Å; H60-Y63 WeakPolarHBondContact CB-O 3.15Å; H60-Y63 PolarHBondContact N-O 3.45Å; H60-M65 PolarHBondContact NE2-SD 2.83Å; H60-L205 HydrophobicContact CB-CD2 3.46Å; H60-L205 VanDerWaalsContact CB-CD2 3.46Å; H60-L205 WeakPolarHBondContact ND1-CD2 3.33Å | ||
| 61 | Y | 80.4 | Confident | 92.1 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -52.6 | -53.7 | -174.7 | -176.4 | -112.1 | 0 | 0 | 0 | 114.7 | K32 D35 I36 L42 I194 | K32-Y61 WeakPolarHBondContact CE-O 3.41Å; K32-Y61 HydrophobicContact CG-CE1 4.29Å; K32-Y61 WeakPolarHBondContact CG-OH 3.37Å; K32-Y61 PolarHBondContact NZ-O 3.49Å; K32-Y61 PolarHBondContact O-OH 2.01Å; D35-Y61 HydrophobicContact CB-CE2 4.4Å; I36-Y61 HydrophobicContact CB-CE1 3.85Å; I36-Y61 HydrophobicContact CB-CE2 4Å; I36-Y61 WeakPolarHBondContact CB-OH 3.49Å; I36-Y61 HydrophobicContact CD1-CD1 3.96Å; I36-Y61 HydrophobicContact CD1-CE1 3.97Å; I36-Y61 HydrophobicContact CD1-CG 4.4Å; I36-Y61 HydrophobicContact CG1-CE1 4.47Å; I36-Y61 HydrophobicContact CG2-CE1 3.94Å; I36-Y61 PolarHBondContact N-OH 2.97Å; I36-Y61 VanDerWaalsContact N-OH 3.14Å; L42-Y61 HydrophobicContact CB-CD2 3.83Å; L42-Y61 HydrophobicContact CB-CE2 4.07Å; L42-Y61 HydrophobicContact CD1-CD2 4.43Å; L42-Y61 HydrophobicContact CD1-CE2 3.98Å; Y61-I194 HydrophobicContact CE1-CD1 4.11Å |
| 62 | N | 84.3 | Confident | 92.2 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -115.4 | -14 | -177.6 | -82.5 | -4.2 | 0 | 0 | 0 | 114.2 | K32 H60 Y98 V222 I223 | K32-N62 WeakPolarHBondContact CD-OD1 3.34Å; K32-N62 WeakPolarHBondContact CE-OD1 3.46Å; K32-N62 PolarHBondContact NZ-OD1 3.45Å; H60-N62 PolarHBondContact O-N 3.1Å; N62-Y98 HydrophobicContact CB-CD1 4.4Å; N62-Y98 HydrophobicContact CB-CE1 4.3Å; N62-V222 WeakPolarHBondContact O-CA 3.48Å; N62-I223 PolarHBondContact O-N 3.5Å |
| 63 | Y | 91.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.6 | -170.5 | -72 | -93.4 | 0 | 0 | 0 | 110.8 | H60 Y98 I190 L205 E221 V222 I223 | H60-Y63 WeakPolarHBondContact CA-O 3.45Å; H60-Y63 VanDerWaalsContact CB-O 3.32Å; H60-Y63 WeakPolarHBondContact CB-O 3.15Å; H60-Y63 PolarHBondContact N-O 3.45Å; Y63-Y98 HydrophobicContact CD2-CE1 4.27Å; Y63-Y98 HydrophobicContact CD2-CE2 4.45Å; Y63-Y98 HydrophobicContact CE2-CD1 4.12Å; Y63-Y98 AromaticContact CE2-CD2 3.85Å; Y63-Y98 HydrophobicContact CE2-CD2 3.85Å; Y63-Y98 AromaticContact CE2-CE1 3.88Å; Y63-Y98 HydrophobicContact CE2-CE1 3.88Å; Y63-Y98 AromaticContact CE2-CE2 3.65Å; Y63-Y98 HydrophobicContact CE2-CE2 3.65Å; Y63-Y98 HydrophobicContact CE2-CG 4.1Å; Y63-Y98 AromaticContact CE2-CZ 3.67Å; Y63-Y98 PolarHBondContact OH-N 2.7Å; Y63-Y98 VanDerWaalsContact OH-N 3.16Å; Y63-I190 HydrophobicContact CD1-CD1 4.19Å; Y63-I190 HydrophobicContact CD2-CD1 4.05Å; Y63-I190 HydrophobicContact CE1-CD1 4.19Å; Y63-I190 HydrophobicContact CE2-CD1 4.07Å; Y63-I190 HydrophobicContact CG-CD1 4.12Å; Y63-L205 HydrophobicContact CD2-CD1 3.89Å; Y63-L205 HydrophobicContact CG-CD1 4.08Å; Y63-E221 CarbonylContact C-O 3.48Å; Y63-E221 WeakPolarHBondContact CA-O 2.97Å; Y63-V222 HydrophobicContact CD1-CG2 4.2Å; Y63-V222 HydrophobicContact CE1-CG2 3.57Å; Y63-I223 WeakPolarHBondContact O-CD1 3.11Å |
| 64 | S | 92 | Very high | 92 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 146.1 | 157.1 | 59.8 | 0 | 0 | 0 | 0 | 108.6 | Y57 S58 Y220 E221 | Y57-S64 VanDerWaalsContact OH-CB 3.26Å; Y57-S64 WeakPolarHBondContact OH-CB 3.39Å; S58-S64 CarbonylContact O-C 3.49Å; S58-S64 WeakPolarHBondContact O-CA 3.02Å; S64-Y220 WeakPolarHBondContact O-CA 3.48Å; S64-E221 PolarHBondContact N-O 3.22Å; S64-E221 PolarHBondContact O-N 3.24Å; S64-E221 PolarHBondContact OG-O 3.04Å |
| 65 | M | 94.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.1 | -176.3 | 175 | -163.5 | -81.6 | 0 | 0 | 107.8 | Y57 S58 H60 I67 L205 N206 M218 E219 Y220 | Y57-M65 WeakPolarHBondContact CA-O 2.97Å; S58-M65 PolarHBondContact N-O 3.44Å; S58-M65 PolarHBondContact O-N 2.85Å; S58-M65 PolarHBondContact OG-O 3.33Å; H60-M65 PolarHBondContact NE2-SD 2.83Å; M65-I67 HydrophobicContact SD-CD1 4.48Å; M65-L205 HydrophobicContact CE-CB 4.34Å; M65-N206 WeakPolarHBondContact CE-O 3.27Å; M65-M218 HydrophobicContact CE-CE 3.72Å; M65-M218 HydrophobicContact CG-CE 3.14Å; M65-M218 HydrophobicContact CG-SD 3.34Å; M65-M218 WeakPolarHBondContact CG-SD 3.07Å; M65-M218 HydrophobicContact SD-CE 3.3Å; M65-M218 WeakPolarHBondContact SD-CE 3.06Å; M65-M218 HydrophobicContact SD-SD 4.31Å; M65-E219 CarbonylContact C-O 3.52Å; M65-E219 WeakPolarHBondContact CA-O 3.11Å; M65-Y220 HydrophobicContact CB-CD1 4.37Å; M65-Y220 HydrophobicContact CB-CE1 4.37Å; M65-Y220 HydrophobicContact CE-CE1 3.54Å; M65-Y220 HydrophobicContact CG-CD1 4.47Å; M65-Y220 HydrophobicContact CG-CE1 4.1Å |
| 66 | R | 94.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.9 | 176.9 | -174 | -179.5 | -70 | 128.1 | -4.2 | 109.9 | Y55 Q56 Y57 M218 E219 E221 L266 D270 | Y55-R66 HydrophobicContact CE2-CG 3.67Å; Y55-R66 WeakPolarHBondContact OH-CD 3.37Å; Y55-R66 WeakPolarHBondContact OH-CG 3.22Å; Y55-R66 PolarHBondContact OH-NE 3.19Å; Y55-R66 VanDerWaalsContact OH-NE 3.12Å; Q56-R66 CarbonylContact O-C 3.53Å; Q56-R66 WeakPolarHBondContact O-CA 2.97Å; Y57-R66 HydrophobicContact CD2-CB 4Å; Y57-R66 HydrophobicContact CD2-CG 4.38Å; R66-M218 CarbonylContact O-C 3.48Å; R66-M218 WeakPolarHBondContact O-CA 3.27Å; R66-M218 VanDerWaalsContact O-SD 3.33Å; R66-E219 HydrophobicContact CB-CB 4.39Å; R66-E219 PolarHBondContact N-O 2.99Å; R66-E219 PolarHBondContact O-N 3.16Å; R66-E221 IonicContact NH1-OE1 3.52Å; R66-L266 VanDerWaalsContact NH1-CD2 3.31Å; R66-D270 IonicContact CZ-OD2 3.4Å; R66-D270 IonicContact NE-OD2 2.85Å; R66-D270 PolarHBondContact NE-OD2 3.43Å; R66-D270 VanDerWaalsContact NE-OD2 3.16Å; R66-D270 IonicContact NH2-OD2 2.76Å; R66-D270 PolarHBondContact NH2-OD2 3.01Å |
| 67 | I | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.8 | 178 | -54.8 | 172.9 | 0 | 0 | 0 | 108.2 | Y55 Q56 M65 P208 W211 T216 L217 M218 | Y55-I67 WeakPolarHBondContact CA-O 3.37Å; Y55-I67 WeakPolarHBondContact CD2-O 3.46Å; Q56-I67 HydrophobicContact CB-CB 4.2Å; Q56-I67 HydrophobicContact CB-CD1 4.22Å; Q56-I67 HydrophobicContact CB-CG1 4.46Å; Q56-I67 PolarHBondContact N-O 2.92Å; Q56-I67 PolarHBondContact O-N 3.44Å; M65-I67 HydrophobicContact SD-CD1 4.48Å; I67-P208 HydrophobicContact CD1-CG 4.48Å; I67-W211 HydrophobicContact CB-CD2 4.42Å; I67-W211 HydrophobicContact CD1-CB 4.11Å; I67-W211 HydrophobicContact CD1-CD2 4.05Å; I67-W211 HydrophobicContact CD1-CG 3.59Å; I67-W211 HydrophobicContact CG2-CB 3.92Å; I67-W211 HydrophobicContact CG2-CD2 3.68Å; I67-W211 HydrophobicContact CG2-CE3 3.63Å; I67-W211 HydrophobicContact CG2-CG 3.83Å; I67-W211 HydrophobicContact CG2-CZ3 4.32Å; I67-T216 HydrophobicContact CG2-CG2 3.63Å; I67-L217 WeakPolarHBondContact CA-O 3.18Å; I67-M218 HydrophobicContact CD1-CE 3.66Å; I67-M218 HydrophobicContact CD1-SD 4.26Å; I67-M218 HydrophobicContact CG1-CE 3.54Å; I67-M218 HydrophobicContact CG1-SD 3.44Å; I67-M218 WeakPolarHBondContact CG1-SD 3.31Å |
| 68 | R | 95.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.6 | 175 | -70.5 | -179.1 | -76.3 | 161 | -11.7 | 109.5 | S54 Y55 Q71 T216 L217 E219 | S54-R68 CarbonylContact O-C 3.55Å; S54-R68 WeakPolarHBondContact O-CA 3.44Å; Y55-R68 HydrophobicContact CD2-CG 3.65Å; Y55-R68 HydrophobicContact CE2-CG 3.65Å; R68-Q71 HydrophobicContact CB-CG 3.6Å; R68-T216 CarbonylContact O-C 3.59Å; R68-T216 WeakPolarHBondContact O-CA 3.02Å; R68-L217 PolarHBondContact N-O 2.83Å; R68-L217 PolarHBondContact O-N 3.38Å; R68-E219 IonicContact CZ-OE2 3.53Å; R68-E219 IonicContact NE-OE2 3.51Å; R68-E219 VanDerWaalsContact NH2-CD 3.3Å; R68-E219 IonicContact NH2-OE1 3.41Å; R68-E219 PolarHBondContact NH2-OE1 2.76Å; R68-E219 IonicContact NH2-OE2 2.73Å; R68-E219 PolarHBondContact NH2-OE2 2.93Å |
| 69 | C | 95.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -83.9 | 167.5 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | S54 Q71 W211 K213 | S54-C69 PolarHBondContact O-N 3.42Å; C69-Q71 PolarHBondContact O-N 2.82Å; C69-Q71 VanDerWaalsContact O-N 3.13Å; C69-Q71 PolarHBondContact O-NE2 2.85Å; C69-W211 VanDerWaalsContact SG-CE3 3.58Å; C69-W211 VanDerWaalsContact SG-CZ3 3.6Å; C69-K213 WeakPolarHBondContact SG-CE 3.48Å |
| 70 | D | 93.7 | Very high | 89.6 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 66% | 0.663 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 55.2 | 34.3 | 171.9 | -45.9 | -47 | 0 | 0 | 0 | 113.7 | G215 | D70-G215 PolarHBondContact N-O 2.96Å; D70-G215 VanDerWaalsContact N-O 3.07Å |
| 71 | Q | 94.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 148.4 | 177.7 | -58.5 | -59.3 | -80 | 0 | 0 | 110.8 | R68 C69 Y173 G215 L217 | R68-Q71 HydrophobicContact CB-CG 3.6Å; C69-Q71 PolarHBondContact O-N 2.82Å; C69-Q71 VanDerWaalsContact O-N 3.13Å; C69-Q71 PolarHBondContact O-NE2 2.85Å; Q71-Y173 HydrophobicContact CB-CE2 4.44Å; Q71-Y173 WeakPolarHBondContact O-CE2 3.32Å; Q71-Y173 PolarHBondContact O-OH 3.34Å; Q71-Y173 VanDerWaalsContact O-OH 3.13Å; Q71-G215 PolarHBondContact N-O 3.02Å; Q71-L217 HydrophobicContact CB-CB 3.99Å; Q71-L217 HydrophobicContact CG-CB 3.76Å; Q71-L217 HydrophobicContact CG-CD2 4.42Å |
| 72 | L | 93.4 | Very high | 90.5 | Very high | 158 Ų | 158 | 58.5 Ų | 58.5 | 83% | 0.827 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 157.5 | 167.7 | -64 | 175.7 | 0 | 0 | 0 | 110.7 | ||
| 73 | H | 91.1 | Very high | 91 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 25% | 0.25 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 125.3 | 176.8 | -171.6 | -74.8 | 0 | 0 | 0 | 109.9 | V75 T161 Y173 | H73-V75 PolarHBondContact CE1-O 3.4Å; H73-V75 PolarHBondContact ND1-N 2.99Å; H73-V75 PolarHBondContact ND1-O 3.4Å; H73-V75 PolarHBondContact O-N 3.5Å; H73-V75 VanDerWaalsContact O-N 3.15Å; H73-T161 PolarHBondContact NE2-OG1 3.47Å; H73-Y173 HydrophobicContact CB-CD1 4.32Å; H73-Y173 HydrophobicContact CB-CE1 3.74Å; H73-Y173 AromaticContact CD2-CD1 3.36Å; H73-Y173 WeakPolarHBondContact CD2-CD1 3.34Å; H73-Y173 AromaticContact CD2-CE1 3.35Å; H73-Y173 WeakPolarHBondContact CD2-CE1 3.45Å; H73-Y173 AromaticContact CG-CD1 3.96Å; H73-Y173 AromaticContact CG-CE1 3.8Å; H73-Y173 AromaticContact NE2-CD1 3.99Å |
| 74 | P | 89.4 | Confident | 91 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.7 | -12.5 | -167.9 | 26.6 | -36.1 | 0 | 0 | 0 | 114.9 | L163 Y173 L217 | P74-L163 HydrophobicContact CB-CD2 4.11Å; P74-L163 HydrophobicContact CG-CD1 3.66Å; P74-L163 HydrophobicContact CG-CD2 3.91Å; P74-L163 HydrophobicContact CG-CG 4.49Å; P74-Y173 HydrophobicContact CG-CG 4.26Å; P74-L217 HydrophobicContact CG-CD1 4.32Å |
| 75 | V | 85.6 | Confident | 91 | Very high | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | trans | -126.6 | 125.8 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | H73 F80 L135 L140 L163 | H73-V75 PolarHBondContact CE1-O 3.4Å; H73-V75 PolarHBondContact ND1-N 2.99Å; H73-V75 PolarHBondContact ND1-O 3.4Å; H73-V75 PolarHBondContact O-N 3.5Å; H73-V75 VanDerWaalsContact O-N 3.15Å; V75-F80 HydrophobicContact CG1-CE2 3.71Å; V75-F80 HydrophobicContact CG1-CZ 3.83Å; V75-L135 HydrophobicContact CG1-CD2 3.87Å; V75-L140 HydrophobicContact CG2-CD1 4.42Å; V75-L140 HydrophobicContact CG2-CD2 4.25Å; V75-L163 HydrophobicContact CG2-CD2 3.35Å; V75-L163 HydrophobicContact CG2-CG 4.45Å | ||
| 76 | V | 76 | Confident | 91 | Very high | 137 Ų | 137 | 73.4 Ų | 73.4 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | trans | -103 | 5.3 | 179.3 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 77 | S | 81 | Confident | 91.1 | Very high | 44 Ų | 44 | 75.7 Ų | 75.7 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | trans | -71.3 | 141.1 | -177 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | S79 F80 | S77-S79 PolarHBondContact OG-N 2.98Å; S77-S79 VanDerWaalsContact OG-N 3.15Å; S77-S79 PolarHBondContact OG-OG 3.3Å; S77-F80 WeakPolarHBondContact O-CD2 3.36Å; S77-F80 VanDerWaalsContact O-CE2 3.3Å; S77-F80 WeakPolarHBondContact O-CE2 3.48Å | ||
| 78 | N | 77.4 | Confident | 91.1 | Very high | 163 Ų | 163 | 81.7 Ų | 81.7 | 87% | 0.872 | 43% | 0.432 | S | S | * | . | trans | -95.4 | 4.3 | 171.5 | -69 | -19.7 | 0 | 0 | 0 | 113.2 | F80 | N78-F80 PolarHBondContact O-N 3.22Š| ||
| 79 | S | 90.3 | Very high | 91.2 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | trans | -86.7 | 23.4 | -176 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | S77 L135 | S77-S79 PolarHBondContact OG-N 2.98Å; S77-S79 VanDerWaalsContact OG-N 3.15Å; S77-S79 PolarHBondContact OG-OG 3.3Å; S79-L135 WeakPolarHBondContact OG-CD1 3.29Å | ||
| 80 | F | 94.9 | Very high | 91.3 | Very high | 28 Ų | 28 | 83.7 Ų | 83.7 | 12% | 0.123 | 45% | 0.448 | C | S | . | . | trans | -72.4 | 135.1 | 177.1 | -81.1 | -88.4 | 0 | 0 | 0 | 110.9 | V75 S77 N78 E133 L135 A142 K144 | V75-F80 HydrophobicContact CG1-CE2 3.71Å; V75-F80 HydrophobicContact CG1-CZ 3.83Å; S77-F80 WeakPolarHBondContact O-CD2 3.36Å; S77-F80 VanDerWaalsContact O-CE2 3.3Å; S77-F80 WeakPolarHBondContact O-CE2 3.48Å; N78-F80 PolarHBondContact O-N 3.22Å; F80-E133 HydrophobicContact CB-CB 3.97Å; F80-E133 VanDerWaalsContact CB-OE2 3.3Å; F80-E133 WeakPolarHBondContact CB-OE2 3.26Å; F80-E133 HydrophobicContact CD1-CB 3.86Å; F80-E133 HydrophobicContact CG-CB 4.3Å; F80-L135 HydrophobicContact CD1-CB 3.82Å; F80-L135 HydrophobicContact CD2-CB 4.46Å; F80-L135 HydrophobicContact CE1-CB 3.54Å; F80-L135 HydrophobicContact CE2-CB 4.21Å; F80-L135 HydrophobicContact CE2-CD2 4.04Å; F80-L135 HydrophobicContact CG-CB 4.28Å; F80-L135 HydrophobicContact CZ-CB 3.75Å; F80-L135 HydrophobicContact CZ-CD2 3.94Å; F80-A142 HydrophobicContact CE1-CB 3.9Å; F80-A142 HydrophobicContact CZ-CB 3.88Å; F80-K144 HydrophobicContact CD1-CD 3.9Å; F80-K144 HydrophobicContact CD1-CG 4.28Å; F80-K144 HydrophobicContact CD2-CD 4.49Å; F80-K144 VanDerWaalsContact CD2-NZ 3.32Å; F80-K144 HydrophobicContact CE1-CD 3.71Å; F80-K144 HydrophobicContact CE1-CG 3.82Å; F80-K144 HydrophobicContact CE2-CD 4.33Å; F80-K144 HydrophobicContact CG-CD 4.3Å; F80-K144 HydrophobicContact CZ-CD 3.95Å; F80-K144 HydrophobicContact CZ-CG 4.31Å | ||
| 81 | I | 94.9 | Very high | 91.4 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 54% | 0.538 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.5 | 175.9 | -56.6 | 173.9 | 0 | 0 | 0 | 108.3 | F83 E133 I134 | I81-F83 HydrophobicContact CB-CE2 3.79Å; I81-F83 HydrophobicContact CB-CZ 4.13Å; I81-F83 HydrophobicContact CG2-CD2 4.47Å; I81-F83 HydrophobicContact CG2-CE1 4.38Å; I81-F83 HydrophobicContact CG2-CE2 3.65Å; I81-F83 HydrophobicContact CG2-CZ 3.61Å; I81-F83 WeakPolarHBondContact O-CD2 3.36Å; I81-F83 VanDerWaalsContact O-CE2 3.22Å; I81-F83 WeakPolarHBondContact O-CE2 3.13Å; I81-E133 CarbonylContact O-C 3.52Å; I81-E133 VanDerWaalsContact O-CA 3.24Å; I81-E133 WeakPolarHBondContact O-CA 3.31Å; I81-I134 PolarHBondContact N-O 2.8Å; I81-I134 PolarHBondContact O-N 3.5Å |
| 82 | K | 94.9 | Very high | 91.4 | Very high | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 139.6 | -176.6 | -173.3 | 175.5 | -179.5 | 168.4 | 0 | 112.1 | D131 E133 | K82-D131 VanDerWaalsContact CE-CB 3.5Å; K82-D131 VanDerWaalsContact CE-CG 3.43Å; K82-D131 WeakPolarHBondContact CE-OD2 3.17Å; K82-D131 HydrophobicContact CG-CB 4.43Å; K82-D131 IonicContact NZ-OD2 2.63Å; K82-D131 PolarHBondContact NZ-OD2 2.87Å; K82-E133 HydrophobicContact CB-CG 4.33Å; K82-E133 HydrophobicContact CG-CG 4.5Å |
| 83 | F | 94.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 76 Ų | 76 | 23% | 0.232 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.4 | 178.6 | -61.1 | -87.9 | 0 | 0 | 0 | 111.2 | I81 Q87 F132 I134 | I81-F83 HydrophobicContact CB-CE2 3.79Å; I81-F83 HydrophobicContact CB-CZ 4.13Å; I81-F83 HydrophobicContact CG2-CD2 4.47Å; I81-F83 HydrophobicContact CG2-CE1 4.38Å; I81-F83 HydrophobicContact CG2-CE2 3.65Å; I81-F83 HydrophobicContact CG2-CZ 3.61Å; I81-F83 WeakPolarHBondContact O-CD2 3.36Å; I81-F83 VanDerWaalsContact O-CE2 3.22Å; I81-F83 WeakPolarHBondContact O-CE2 3.13Å; F83-Q87 HydrophobicContact CB-CG 3.96Å; F83-Q87 HydrophobicContact CD1-CG 3.52Å; F83-Q87 HydrophobicContact CD2-CG 4.14Å; F83-Q87 HydrophobicContact CE1-CG 3.99Å; F83-Q87 HydrophobicContact CG-CG 3.59Å; F83-Q87 HydrophobicContact CZ-CG 4.49Å; F83-F132 HydrophobicContact CB-CD1 4.44Å; F83-F132 HydrophobicContact CB-CE1 4Å; F83-F132 HydrophobicContact CB-CE2 4.12Å; F83-F132 HydrophobicContact CB-CZ 3.85Å; F83-F132 PolarHBondContact N-O 2.86Å; F83-F132 PolarHBondContact O-N 3.41Å; F83-F132 VanDerWaalsContact O-N 3.14Å; F83-I134 HydrophobicContact CD2-CB 4.34Å; F83-I134 HydrophobicContact CD2-CD1 3.65Å; F83-I134 HydrophobicContact CD2-CG1 3.82Å; F83-I134 HydrophobicContact CE2-CB 3.96Å; F83-I134 HydrophobicContact CE2-CD1 3.58Å; F83-I134 HydrophobicContact CE2-CG1 3.87Å; F83-I134 HydrophobicContact CG-CD1 4.45Å; F83-I134 HydrophobicContact CZ-CD1 4.31Å |
| 84 | S | 91 | Very high | 91.5 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 54% | 0.538 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -115.6 | -17.2 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 85 | D | 91.5 | Very high | 91.7 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -118.2 | 159.3 | 178.4 | -61.5 | -48.9 | 0 | 0 | 0 | 110.7 | Q87 F132 | D85-Q87 PolarHBondContact O-NE2 2.96Å; D85-F132 WeakPolarHBondContact O-CE1 3.35Å; D85-F132 VanDerWaalsContact O-CZ 3.32Å; D85-F132 WeakPolarHBondContact O-CZ 3.39Å |
| 86 | D | 94.3 | Very high | 92 | Very high | 85 Ų | 85 | 79 Ų | 79 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -55.3 | 140.2 | -179.8 | -58.6 | -17.9 | 0 | 0 | 0 | 111.8 | I107 D108 K109 | D86-I107 CarbonylContact C-O 3.57Å; D86-I107 VanDerWaalsContact CA-O 3.25Å; D86-I107 WeakPolarHBondContact CA-O 3.22Å; D86-I107 WeakPolarHBondContact CB-O 3.49Å; D86-D108 WeakPolarHBondContact OD1-CA 3.47Å; D86-K109 PolarHBondContact OD1-N 3.39Å | ||
| 87 | Q | 96.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 72.5 Ų | 72.5 | 24% | 0.243 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137 | -174.9 | -66.4 | -53.5 | -54.5 | 0 | 0 | 111.7 | F83 D85 V89 H106 I107 F132 I134 | F83-Q87 HydrophobicContact CB-CG 3.96Å; F83-Q87 HydrophobicContact CD1-CG 3.52Å; F83-Q87 HydrophobicContact CD2-CG 4.14Å; F83-Q87 HydrophobicContact CE1-CG 3.99Å; F83-Q87 HydrophobicContact CG-CG 3.59Å; F83-Q87 HydrophobicContact CZ-CG 4.49Å; D85-Q87 PolarHBondContact O-NE2 2.96Å; Q87-V89 HydrophobicContact CB-CG2 4.48Å; Q87-H106 CarbonylContact O-C 3.47Å; Q87-H106 WeakPolarHBondContact O-CA 3.47Å; Q87-I107 PolarHBondContact N-O 3.17Å; Q87-I107 PolarHBondContact O-N 3.37Å; Q87-F132 HydrophobicContact CB-CE2 4.35Å; Q87-F132 HydrophobicContact CB-CZ 4.24Å; Q87-F132 HydrophobicContact CG-CE2 4.02Å; Q87-F132 HydrophobicContact CG-CZ 3.76Å; Q87-I134 HydrophobicContact CB-CD1 3.78Å; Q87-I134 HydrophobicContact CG-CD1 3.82Å |
| 88 | K | 97.2 | Very high | 93.3 | Very high | 126 Ų | 126 | 71.3 Ų | 71.3 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.2 | 164 | -175.6 | 176.7 | 178.9 | 174.8 | 0 | 109.1 | ||
| 89 | V | 96.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 67 Ų | 67 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.8 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | Q87 S104 F105 I107 I134 V141 | Q87-V89 HydrophobicContact CB-CG2 4.48Å; V89-S104 VanDerWaalsContact O-CA 3.25Å; V89-S104 WeakPolarHBondContact O-CA 2.94Å; V89-F105 HydrophobicContact CB-CD2 4.03Å; V89-F105 HydrophobicContact CB-CE2 3.64Å; V89-F105 HydrophobicContact CB-CZ 4.04Å; V89-F105 HydrophobicContact CG1-CE2 4Å; V89-F105 HydrophobicContact CG1-CZ 3.9Å; V89-F105 HydrophobicContact CG2-CE2 4.15Å; V89-F105 PolarHBondContact N-O 3.12Å; V89-F105 PolarHBondContact O-N 3.33Å; V89-I107 HydrophobicContact CG2-CD1 3.5Å; V89-I107 HydrophobicContact CG2-CG1 4.16Å; V89-I134 HydrophobicContact CG2-CD1 3.98Å; V89-V141 HydrophobicContact CG1-CG1 4.5Å |
| 90 | N | 96.9 | Very high | 93.7 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | trans | -105.9 | 104.9 | 166.8 | -64.1 | -5.5 | 0 | 0 | 0 | 107.6 | S104 N136 | N90-S104 VanDerWaalsContact OD1-CB 3.23Å; N90-S104 WeakPolarHBondContact OD1-CB 3.17Å; N90-N136 PolarHBondContact O-ND2 2.87Å | ||
| 91 | P | 95.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | trans | -60.8 | 149.2 | 178.3 | -24.1 | 36.4 | 0 | 0 | 0 | 111.6 | F93 F95 Y103 F105 V141 | P91-F93 HydrophobicContact CB-CD2 4.38Å; P91-F93 HydrophobicContact CB-CE1 4.39Å; P91-F93 HydrophobicContact CB-CE2 4.24Å; P91-F93 HydrophobicContact CB-CZ 4.24Å; P91-F93 PolarHBondContact O-N 3.49Å; P91-F95 HydrophobicContact CG-CE1 4.11Å; P91-Y103 WeakPolarHBondContact CD-O 3.35Å; P91-F105 HydrophobicContact CG-CD1 3.9Å; P91-F105 HydrophobicContact CG-CE1 3.31Å; P91-F105 HydrophobicContact CG-CZ 4.13Å; P91-V141 HydrophobicContact CB-CG2 4.13Å; P91-V141 HydrophobicContact CG-CG2 4.4Å | ||
| 92 | K | 95.1 | Very high | 93.6 | Very high | 137 Ų | 137 | 62.7 Ų | 62.7 | 60% | 0.596 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -80.6 | 7.2 | 177.2 | -63.3 | 170.8 | 177.3 | 163.7 | 0 | 113.5 | N136 D137 K138 | K92-N136 VanDerWaalsContact CE-O 3.3Å; K92-N136 WeakPolarHBondContact CE-O 3.21Å; K92-N136 PolarHBondContact N-OD1 3.37Å; K92-N136 PolarHBondContact NZ-O 3.44Å; K92-D137 WeakPolarHBondContact CB-O 3.38Å; K92-K138 HydrophobicContact CB-CG 4.46Å; K92-K138 HydrophobicContact CD-CG 4.49Å |
| 93 | F | 95 | Very high | 93.6 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -140.1 | 161 | 179.2 | 53.5 | -96.8 | 0 | 0 | 0 | 109.4 | P91 F95 K138 V141 I164 A166 | P91-F93 HydrophobicContact CB-CD2 4.38Å; P91-F93 HydrophobicContact CB-CE1 4.39Å; P91-F93 HydrophobicContact CB-CE2 4.24Å; P91-F93 HydrophobicContact CB-CZ 4.24Å; P91-F93 PolarHBondContact O-N 3.49Å; F93-F95 HydrophobicContact CD2-CB 4.24Å; F93-F95 AromaticContact CD2-CD1 4Å; F93-F95 HydrophobicContact CD2-CD1 4Å; F93-F95 HydrophobicContact CE2-CB 4.25Å; F93-F95 AromaticContact CE2-CD1 3.63Å; F93-F95 HydrophobicContact CE2-CD1 3.63Å; F93-F95 HydrophobicContact CE2-CE1 4.33Å; F93-F95 HydrophobicContact CE2-CG 4.16Å; F93-K138 WeakPolarHBondContact CD1-O 3.36Å; F93-V141 HydrophobicContact CE1-CG2 4.02Å; F93-V141 HydrophobicContact CZ-CG2 3.91Å; F93-I164 HydrophobicContact CE2-CG2 4.49Å; F93-I164 WeakPolarHBondContact CZ-O 3.3Å; F93-A166 HydrophobicContact CB-CB 4Å; F93-A166 HydrophobicContact CD1-CB 4.12Å; F93-A166 VanDerWaalsContact CD2-CA 3.47Å; F93-A166 HydrophobicContact CD2-CB 3.91Å; F93-A166 HydrophobicContact CE2-CB 4.39Å; F93-A166 HydrophobicContact CG-CB 3.74Å |
| 94 | S | 92.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | trans | -99.3 | 134.4 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 95 | F | 93.8 | Very high | 94 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 169.6 | 175 | 75.3 | -78.2 | 0 | 0 | 0 | 110 | P91 F93 V102 F105 F115 I164 | P91-F95 HydrophobicContact CG-CE1 4.11Å; F93-F95 HydrophobicContact CD2-CB 4.24Å; F93-F95 AromaticContact CD2-CD1 4Å; F93-F95 HydrophobicContact CD2-CD1 4Å; F93-F95 HydrophobicContact CE2-CB 4.25Å; F93-F95 AromaticContact CE2-CD1 3.63Å; F93-F95 HydrophobicContact CE2-CD1 3.63Å; F93-F95 HydrophobicContact CE2-CE1 4.33Å; F93-F95 HydrophobicContact CE2-CG 4.16Å; F95-V102 HydrophobicContact CD1-CB 4.27Å; F95-V102 HydrophobicContact CE1-CB 3.73Å; F95-V102 HydrophobicContact CE1-CG1 3.69Å; F95-V102 HydrophobicContact CE2-CB 4.13Å; F95-V102 HydrophobicContact CE2-CG1 4.49Å; F95-V102 HydrophobicContact CE2-CG2 4.11Å; F95-V102 HydrophobicContact CZ-CB 3.66Å; F95-V102 HydrophobicContact CZ-CG1 3.6Å; F95-V102 HydrophobicContact CZ-CG2 4.03Å; F95-V102 PolarHBondContact O-N 3.29Å; F95-F105 HydrophobicContact CE1-CD1 4.43Å; F95-F105 HydrophobicContact CE1-CE1 4.17Å; F95-F105 HydrophobicContact CZ-CD1 4.36Å; F95-F105 HydrophobicContact CZ-CE1 4.28Å; F95-F115 HydrophobicContact CE2-CE1 4.38Å; F95-F115 HydrophobicContact CZ-CD1 4.47Å; F95-F115 AromaticContact CZ-CE1 3.85Å; F95-F115 HydrophobicContact CZ-CE1 3.85Å; F95-F115 HydrophobicContact CZ-CZ 4.48Å; F95-I164 HydrophobicContact CD1-CG2 4.32Å; F95-I164 HydrophobicContact CD2-CG2 3.96Å; F95-I164 HydrophobicContact CE1-CG2 4.05Å; F95-I164 HydrophobicContact CE2-CG2 3.66Å; F95-I164 HydrophobicContact CG-CG2 4.28Å; F95-I164 HydrophobicContact CZ-CD1 4.49Å; F95-I164 HydrophobicContact CZ-CG2 3.71Å |
| 96 | K | 92.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 41% | 0.409 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.5 | 178.2 | -71.3 | 177.1 | 179 | 170.1 | 0 | 111.8 | S100 D101 | K96-S100 CarbonylContact C-O 3.59Å; K96-S100 VanDerWaalsContact CA-O 3.24Å; K96-S100 WeakPolarHBondContact CA-O 3.5Å; K96-D101 WeakPolarHBondContact CE-OD1 3.49Å; K96-D101 WeakPolarHBondContact CG-OD1 3.38Å |
| 97 | Y | 93.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 120 | 170.8 | -174.5 | -97.7 | 0 | 0 | 0 | 108.5 | D99 S100 F115 V117 Q119 I120 I170 I191 | Y97-D99 VanDerWaalsContact C-N 3.29Å; Y97-D99 PolarHBondContact O-N 3.32Å; Y97-S100 PolarHBondContact N-O 3.23Å; Y97-S100 WeakPolarHBondContact O-CB 3.28Å; Y97-S100 PolarHBondContact O-N 2.91Å; Y97-F115 HydrophobicContact CD1-CB 4.17Å; Y97-F115 AromaticContact CD1-CD2 3.53Å; Y97-F115 HydrophobicContact CD1-CD2 3.53Å; Y97-F115 HydrophobicContact CD1-CE2 4.19Å; Y97-F115 HydrophobicContact CD1-CG 4.04Å; Y97-F115 AromaticContact CD2-CD2 3.81Å; Y97-F115 HydrophobicContact CD2-CD2 3.81Å; Y97-F115 AromaticContact CD2-CE2 3.59Å; Y97-F115 HydrophobicContact CD2-CE2 3.59Å; Y97-F115 HydrophobicContact CD2-CZ 4.25Å; Y97-F115 AromaticContact CE1-CD2 3.55Å; Y97-F115 HydrophobicContact CE1-CD2 3.55Å; Y97-F115 HydrophobicContact CE1-CE2 4.13Å; Y97-F115 HydrophobicContact CE1-CG 4.43Å; Y97-F115 AromaticContact CE2-CD2 3.83Å; Y97-F115 HydrophobicContact CE2-CD2 3.83Å; Y97-F115 AromaticContact CE2-CE2 3.52Å; Y97-F115 HydrophobicContact CE2-CE2 3.52Å; Y97-F115 HydrophobicContact CE2-CZ 4.47Å; Y97-F115 AromaticContact CG-CD2 3.66Å; Y97-F115 HydrophobicContact CG-CD2 3.66Å; Y97-F115 AromaticContact CG-CE2 3.93Å; Y97-F115 HydrophobicContact CG-CE2 3.93Å; Y97-F115 HydrophobicContact CG-CG 4.13Å; Y97-F115 AromaticContact CZ-CD2 3.69Å; Y97-F115 AromaticContact CZ-CE2 3.8Å; Y97-V117 HydrophobicContact CD1-CG2 4.08Å; Y97-V117 WeakPolarHBondContact O-CG2 3.33Å; Y97-Q119 PolarHBondContact OH-O 3.19Å; Y97-I120 HydrophobicContact CE2-CG1 4.48Å; Y97-I170 HydrophobicContact CD2-CD1 3.76Å; Y97-I170 HydrophobicContact CE2-CD1 3.65Å; Y97-I191 PolarHBondContact OH-N 2.89Å; Y97-I191 PolarHBondContact OH-O 2.91Å |
| 98 | Y | 90.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 7% | 0.071 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 51.8 | -171.1 | -77.1 | -93.1 | 0 | 0 | 0 | 113 | N62 Y63 S100 I190 G192 P203 | N62-Y98 HydrophobicContact CB-CD1 4.4Å; N62-Y98 HydrophobicContact CB-CE1 4.3Å; Y63-Y98 HydrophobicContact CD2-CE1 4.27Å; Y63-Y98 HydrophobicContact CD2-CE2 4.45Å; Y63-Y98 HydrophobicContact CE2-CD1 4.12Å; Y63-Y98 AromaticContact CE2-CD2 3.85Å; Y63-Y98 HydrophobicContact CE2-CD2 3.85Å; Y63-Y98 AromaticContact CE2-CE1 3.88Å; Y63-Y98 HydrophobicContact CE2-CE1 3.88Å; Y63-Y98 AromaticContact CE2-CE2 3.65Å; Y63-Y98 HydrophobicContact CE2-CE2 3.65Å; Y63-Y98 HydrophobicContact CE2-CG 4.1Å; Y63-Y98 AromaticContact CE2-CZ 3.67Å; Y63-Y98 PolarHBondContact OH-N 2.7Å; Y63-Y98 VanDerWaalsContact OH-N 3.16Å; Y98-S100 PolarHBondContact O-N 3.29Å; Y98-I190 HydrophobicContact CE2-CD1 4.3Å; Y98-G192 VanDerWaalsContact CE2-CA 3.49Å; Y98-P203 HydrophobicContact CD1-CG 4.02Å; Y98-P203 HydrophobicContact CE1-CB 4.06Å; Y98-P203 HydrophobicContact CE1-CG 3.41Å; Y98-P203 VanDerWaalsContact CE1-CG 3.41Å; Y98-P203 PolarHBondContact OH-O 2.99Å |
| 99 | D | 86.1 | Confident | 93.9 | Very high | 72 Ų | 72 | 53 Ų | 53 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 6.9 | -179.1 | -63.9 | -43.3 | 0 | 0 | 0 | 116.8 | Y97 | Y97-D99 VanDerWaalsContact C-N 3.29Å; Y97-D99 PolarHBondContact O-N 3.32Å |
| 100 | S | 89.7 | Confident | 93.6 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.2 | 174 | -165 | 0 | 0 | 0 | 0 | 111.1 | K96 Y97 Y98 | K96-S100 CarbonylContact C-O 3.59Å; K96-S100 VanDerWaalsContact CA-O 3.24Å; K96-S100 WeakPolarHBondContact CA-O 3.5Å; Y97-S100 PolarHBondContact N-O 3.23Å; Y97-S100 WeakPolarHBondContact O-CB 3.28Å; Y97-S100 PolarHBondContact O-N 2.91Å; Y98-S100 PolarHBondContact O-N 3.29Å |
| 101 | D | 93.2 | Very high | 93.4 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.9 | 176.6 | -60.9 | -61.9 | 0 | 0 | 0 | 110.5 | K96 Y103 | K96-D101 WeakPolarHBondContact CE-OD1 3.49Å; K96-D101 WeakPolarHBondContact CG-OD1 3.38Å; D101-Y103 HydrophobicContact CB-CE2 4Å |
| 102 | V | 94.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.6 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | F95 F105 F115 | F95-V102 HydrophobicContact CD1-CB 4.27Å; F95-V102 HydrophobicContact CE1-CB 3.73Å; F95-V102 HydrophobicContact CE1-CG1 3.69Å; F95-V102 HydrophobicContact CE2-CB 4.13Å; F95-V102 HydrophobicContact CE2-CG1 4.49Å; F95-V102 HydrophobicContact CE2-CG2 4.11Å; F95-V102 HydrophobicContact CZ-CB 3.66Å; F95-V102 HydrophobicContact CZ-CG1 3.6Å; F95-V102 HydrophobicContact CZ-CG2 4.03Å; F95-V102 PolarHBondContact O-N 3.29Å; V102-F105 HydrophobicContact CG1-CD1 3.98Å; V102-F115 HydrophobicContact CG1-CD1 3.82Å; V102-F115 HydrophobicContact CG1-CE1 4.3Å; V102-F115 HydrophobicContact CG2-CD1 4.1Å |
| 103 | Y | 94.4 | Very high | 93.5 | Very high | 157 Ų | 157 | 45.6 Ų | 45.6 | 62% | 0.616 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -104.8 | -25.6 | 176.5 | -57.6 | -73.6 | 0 | 0 | 0 | 113.2 | P91 D101 | P91-Y103 WeakPolarHBondContact CD-O 3.35Å; D101-Y103 HydrophobicContact CB-CE2 4Å |
| 104 | S | 96.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | trans | -155.1 | 154.8 | 175.6 | 65.8 | 0 | 0 | 0 | 0 | 110 | V89 N90 | V89-S104 VanDerWaalsContact O-CA 3.25Å; V89-S104 WeakPolarHBondContact O-CA 2.94Å; N90-S104 VanDerWaalsContact OD1-CB 3.23Å; N90-S104 WeakPolarHBondContact OD1-CB 3.17Å | ||
| 105 | F | 97.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165 | 174.3 | 54.1 | -105.4 | 0 | 0 | 0 | 111.3 | V89 P91 F95 V102 I107 I113 A114 F115 V141 I164 | V89-F105 HydrophobicContact CB-CD2 4.03Å; V89-F105 HydrophobicContact CB-CE2 3.64Å; V89-F105 HydrophobicContact CB-CZ 4.04Å; V89-F105 HydrophobicContact CG1-CE2 4Å; V89-F105 HydrophobicContact CG1-CZ 3.9Å; V89-F105 HydrophobicContact CG2-CE2 4.15Å; V89-F105 PolarHBondContact N-O 3.12Å; V89-F105 PolarHBondContact O-N 3.33Å; P91-F105 HydrophobicContact CG-CD1 3.9Å; P91-F105 HydrophobicContact CG-CE1 3.31Å; P91-F105 HydrophobicContact CG-CZ 4.13Å; F95-F105 HydrophobicContact CE1-CD1 4.43Å; F95-F105 HydrophobicContact CE1-CE1 4.17Å; F95-F105 HydrophobicContact CZ-CD1 4.36Å; F95-F105 HydrophobicContact CZ-CE1 4.28Å; V102-F105 HydrophobicContact CG1-CD1 3.98Å; F105-I107 HydrophobicContact CD2-CG1 4.01Å; F105-I107 HydrophobicContact CE2-CD1 4Å; F105-I107 HydrophobicContact CE2-CG1 3.82Å; F105-I113 HydrophobicContact CB-CG2 4.2Å; F105-I113 HydrophobicContact CD2-CG2 3.37Å; F105-I113 HydrophobicContact CE2-CG2 3.75Å; F105-I113 HydrophobicContact CG-CG2 3.87Å; F105-A114 WeakPolarHBondContact CA-O 3.27Å; F105-A114 WeakPolarHBondContact CB-O 3.06Å; F105-F115 HydrophobicContact CB-CD1 3.64Å; F105-F115 HydrophobicContact CB-CE1 3.86Å; F105-F115 HydrophobicContact CD1-CD1 4.19Å; F105-F115 AromaticContact CD1-CE1 3.75Å; F105-F115 HydrophobicContact CD1-CE1 3.75Å; F105-F115 HydrophobicContact CE1-CE1 4.38Å; F105-F115 HydrophobicContact CG-CD1 4.18Å; F105-F115 AromaticContact CG-CE1 3.89Å; F105-F115 HydrophobicContact CG-CE1 3.89Å; F105-V141 HydrophobicContact CZ-CB 4.33Å; F105-V141 HydrophobicContact CZ-CG1 3.97Å; F105-V141 HydrophobicContact CZ-CG2 4.35Å; F105-I164 HydrophobicContact CE1-CD1 4.17Å; F105-I164 HydrophobicContact CZ-CD1 4.05Å |
| 106 | H | 97.5 | Very high | 93.6 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.8 | 177.1 | -71.1 | -93.5 | 0 | 0 | 0 | 109.8 | Q87 I113 A114 | Q87-H106 CarbonylContact O-C 3.47Å; Q87-H106 WeakPolarHBondContact O-CA 3.47Å; H106-I113 CarbonylContact O-C 3.55Å; H106-I113 WeakPolarHBondContact O-CA 3.42Å; H106-A114 HydrophobicContact CB-CB 4.46Å; H106-A114 PolarHBondContact N-O 3.45Å; H106-A114 PolarHBondContact O-N 3.07Å |
| 107 | I | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.4 | 171.4 | -58.8 | 171.6 | 0 | 0 | 0 | 107.1 | D86 Q87 V89 F105 A112 I113 F132 I134 V143 W145 | D86-I107 CarbonylContact C-O 3.57Å; D86-I107 VanDerWaalsContact CA-O 3.25Å; D86-I107 WeakPolarHBondContact CA-O 3.22Å; D86-I107 WeakPolarHBondContact CB-O 3.49Å; Q87-I107 PolarHBondContact N-O 3.17Å; Q87-I107 PolarHBondContact O-N 3.37Å; V89-I107 HydrophobicContact CG2-CD1 3.5Å; V89-I107 HydrophobicContact CG2-CG1 4.16Å; F105-I107 HydrophobicContact CD2-CG1 4.01Å; F105-I107 HydrophobicContact CE2-CD1 4Å; F105-I107 HydrophobicContact CE2-CG1 3.82Å; I107-A112 WeakPolarHBondContact CA-O 3.48Å; I107-I113 HydrophobicContact CG1-CG1 4.38Å; I107-F132 HydrophobicContact CB-CE2 4.03Å; I107-F132 HydrophobicContact CB-CZ 4.47Å; I107-F132 HydrophobicContact CG2-CD2 3.83Å; I107-F132 HydrophobicContact CG2-CE2 3.41Å; I107-F132 VanDerWaalsContact CG2-CE2 3.41Å; I107-F132 HydrophobicContact CG2-CZ 3.98Å; I107-I134 HydrophobicContact CD1-CD1 3.65Å; I107-I134 HydrophobicContact CD1-CG1 3.89Å; I107-I134 HydrophobicContact CD1-CG2 4.49Å; I107-V143 HydrophobicContact CD1-CG1 4.28Å; I107-V143 HydrophobicContact CD1-CG2 3.54Å; I107-V143 HydrophobicContact CG1-CG2 4.36Å; I107-V143 HydrophobicContact CG2-CG1 3.92Å; I107-W145 HydrophobicContact CG2-CZ2 3.82Å |
| 108 | D | 92.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.2 | 177.8 | -177.7 | -74.3 | 0 | 0 | 0 | 110.1 | D86 T110 G111 A112 W145 | D86-D108 WeakPolarHBondContact OD1-CA 3.47Å; D108-T110 PolarHBondContact O-N 3.12Å; D108-T110 VanDerWaalsContact OD1-CA 3.27Å; D108-T110 WeakPolarHBondContact OD1-CA 3.41Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.33Å; D108-T110 PolarHBondContact OD1-N 2.84Å; D108-T110 PolarHBondContact OD1-OG1 3.14Å; D108-G111 PolarHBondContact O-N 3.33Å; D108-G111 VanDerWaalsContact O-N 3.15Å; D108-A112 HydrophobicContact CB-CB 4.05Å; D108-A112 PolarHBondContact N-O 3Å; D108-W145 PolarHBondContact O-NE1 3.44Å; D108-W145 VanDerWaalsContact O-NE1 3.17Å |
| 109 | K | 91.2 | Very high | 94 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30 | -179.4 | 69.3 | -176.8 | 177.4 | -175.5 | 0 | 113 | D86 G111 S129 F132 | D86-K109 PolarHBondContact OD1-N 3.39Å; K109-G111 PolarHBondContact O-N 2.86Å; K109-S129 WeakPolarHBondContact O-CB 3.44Å; K109-S129 PolarHBondContact O-OG 2.95Å; K109-F132 HydrophobicContact CB-CD1 4.15Å; K109-F132 HydrophobicContact CB-CE1 3.93Å |
| 110 | T | 89.6 | Confident | 94.5 | Very high | 89 Ų | 89 | 43.1 Ų | 43.1 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.2 | -179.3 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | D108 F147 | D108-T110 PolarHBondContact O-N 3.12Å; D108-T110 VanDerWaalsContact OD1-CA 3.27Å; D108-T110 WeakPolarHBondContact OD1-CA 3.41Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.33Å; D108-T110 PolarHBondContact OD1-N 2.84Å; D108-T110 PolarHBondContact OD1-OG1 3.14Å; T110-F147 WeakPolarHBondContact O-CE1 3.48Å |
| 111 | G | 92.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.1 | 52.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D108 K109 I122 | D108-G111 PolarHBondContact O-N 3.33Å; D108-G111 VanDerWaalsContact O-N 3.15Å; K109-G111 PolarHBondContact O-N 2.86Å; G111-I122 WeakPolarHBondContact O-CA 3.33Å; G111-I122 PolarHBondContact O-N 3.38Å |
| 112 | A | 95.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I107 D108 I120 | I107-A112 WeakPolarHBondContact CA-O 3.48Å; D108-A112 HydrophobicContact CB-CB 4.05Å; D108-A112 PolarHBondContact N-O 3Å; A112-I120 CarbonylContact C-O 3.58Å; A112-I120 VanDerWaalsContact CA-O 3.28Å; A112-I120 WeakPolarHBondContact CA-O 3.38Å |
| 113 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 108.4 | 164.6 | -52.5 | -177.7 | 0 | 0 | 0 | 107 | F105 H106 I107 F115 Q119 I120 V143 W145 C162 I164 | F105-I113 HydrophobicContact CB-CG2 4.2Å; F105-I113 HydrophobicContact CD2-CG2 3.37Å; F105-I113 HydrophobicContact CE2-CG2 3.75Å; F105-I113 HydrophobicContact CG-CG2 3.87Å; H106-I113 CarbonylContact O-C 3.55Å; H106-I113 WeakPolarHBondContact O-CA 3.42Å; I107-I113 HydrophobicContact CG1-CG1 4.38Å; I113-F115 HydrophobicContact CB-CZ 4.33Å; I113-F115 HydrophobicContact CG2-CE1 3.77Å; I113-F115 HydrophobicContact CG2-CE2 4.36Å; I113-F115 HydrophobicContact CG2-CZ 3.66Å; I113-Q119 CarbonylContact O-C 3.49Å; I113-Q119 WeakPolarHBondContact O-CA 3.35Å; I113-Q119 VanDerWaalsContact O-CB 3.29Å; I113-Q119 WeakPolarHBondContact O-CB 3.32Å; I113-I120 HydrophobicContact CB-CB 4.21Å; I113-I120 HydrophobicContact CB-CD1 4.26Å; I113-I120 HydrophobicContact CD1-CD1 4.11Å; I113-I120 PolarHBondContact N-O 2.48Å; I113-I120 PolarHBondContact O-N 3.22Å; I113-V143 HydrophobicContact CD1-CB 4.49Å; I113-V143 HydrophobicContact CD1-CG2 3.92Å; I113-W145 HydrophobicContact CD1-CH2 3.89Å; I113-W145 HydrophobicContact CG1-CH2 3.7Å; I113-W145 HydrophobicContact CG1-CZ2 4.11Å; I113-C162 HydrophobicContact CD1-CB 4.29Å; I113-I164 HydrophobicContact CD1-CD1 4.03Å; I113-I164 HydrophobicContact CG2-CD1 4.4Å |
| 114 | A | 97.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F105 H106 | F105-A114 WeakPolarHBondContact CA-O 3.27Å; F105-A114 WeakPolarHBondContact CB-O 3.06Å; H106-A114 HydrophobicContact CB-CB 4.46Å; H106-A114 PolarHBondContact N-O 3.45Å; H106-A114 PolarHBondContact O-N 3.07Å |
| 115 | F | 95.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 168.4 | 173 | -48.9 | -70.5 | 0 | 0 | 0 | 110.4 | F95 Y97 V102 F105 I113 V117 G118 I120 I164 | F95-F115 HydrophobicContact CE2-CE1 4.38Å; F95-F115 HydrophobicContact CZ-CD1 4.47Å; F95-F115 AromaticContact CZ-CE1 3.85Å; F95-F115 HydrophobicContact CZ-CE1 3.85Å; F95-F115 HydrophobicContact CZ-CZ 4.48Å; Y97-F115 HydrophobicContact CD1-CB 4.17Å; Y97-F115 AromaticContact CD1-CD2 3.53Å; Y97-F115 HydrophobicContact CD1-CD2 3.53Å; Y97-F115 HydrophobicContact CD1-CE2 4.19Å; Y97-F115 HydrophobicContact CD1-CG 4.04Å; Y97-F115 AromaticContact CD2-CD2 3.81Å; Y97-F115 HydrophobicContact CD2-CD2 3.81Å; Y97-F115 AromaticContact CD2-CE2 3.59Å; Y97-F115 HydrophobicContact CD2-CE2 3.59Å; Y97-F115 HydrophobicContact CD2-CZ 4.25Å; Y97-F115 AromaticContact CE1-CD2 3.55Å; Y97-F115 HydrophobicContact CE1-CD2 3.55Å; Y97-F115 HydrophobicContact CE1-CE2 4.13Å; Y97-F115 HydrophobicContact CE1-CG 4.43Å; Y97-F115 AromaticContact CE2-CD2 3.83Å; Y97-F115 HydrophobicContact CE2-CD2 3.83Å; Y97-F115 AromaticContact CE2-CE2 3.52Å; Y97-F115 HydrophobicContact CE2-CE2 3.52Å; Y97-F115 HydrophobicContact CE2-CZ 4.47Å; Y97-F115 AromaticContact CG-CD2 3.66Å; Y97-F115 HydrophobicContact CG-CD2 3.66Å; Y97-F115 AromaticContact CG-CE2 3.93Å; Y97-F115 HydrophobicContact CG-CE2 3.93Å; Y97-F115 HydrophobicContact CG-CG 4.13Å; Y97-F115 AromaticContact CZ-CD2 3.69Å; Y97-F115 AromaticContact CZ-CE2 3.8Å; V102-F115 HydrophobicContact CG1-CD1 3.82Å; V102-F115 HydrophobicContact CG1-CE1 4.3Å; V102-F115 HydrophobicContact CG2-CD1 4.1Å; F105-F115 HydrophobicContact CB-CD1 3.64Å; F105-F115 HydrophobicContact CB-CE1 3.86Å; F105-F115 HydrophobicContact CD1-CD1 4.19Å; F105-F115 AromaticContact CD1-CE1 3.75Å; F105-F115 HydrophobicContact CD1-CE1 3.75Å; F105-F115 HydrophobicContact CE1-CE1 4.38Å; F105-F115 HydrophobicContact CG-CD1 4.18Å; F105-F115 AromaticContact CG-CE1 3.89Å; F105-F115 HydrophobicContact CG-CE1 3.89Å; I113-F115 HydrophobicContact CB-CZ 4.33Å; I113-F115 HydrophobicContact CG2-CE1 3.77Å; I113-F115 HydrophobicContact CG2-CE2 4.36Å; I113-F115 HydrophobicContact CG2-CZ 3.66Å; F115-V117 PolarHBondContact O-N 2.85Å; F115-G118 CarbonylContact C-O 3.46Å; F115-G118 WeakPolarHBondContact CA-O 3.49Å; F115-G118 WeakPolarHBondContact CB-O 3.43Å; F115-G118 PolarHBondContact N-O 3.25Å; F115-G118 PolarHBondContact O-N 3.28Å; F115-G118 VanDerWaalsContact O-O 3.05Å; F115-I120 HydrophobicContact CE2-CD1 3.78Å; F115-I120 HydrophobicContact CE2-CG1 3.94Å; F115-I120 HydrophobicContact CZ-CD1 3.69Å; F115-I120 HydrophobicContact CZ-CG1 4.36Å; F115-I164 HydrophobicContact CE1-CD1 4.22Å; F115-I164 HydrophobicContact CZ-CD1 3.9Å |
| 116 | N | 91.6 | Very high | 93 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 57% | 0.567 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.2 | 175.8 | -68.1 | -23.8 | 0 | 0 | 0 | 113.8 | ||
| 117 | V | 92.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 38 Ų | 38 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 25.1 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | Y97 F115 G192 Q193 | Y97-V117 HydrophobicContact CD1-CG2 4.08Å; Y97-V117 WeakPolarHBondContact O-CG2 3.33Å; F115-V117 PolarHBondContact O-N 2.85Å; V117-G192 CarbonylContact O-C 3.54Å; V117-G192 WeakPolarHBondContact O-CA 3.31Å; V117-Q193 PolarHBondContact O-N 3.43Å |
| 118 | G | 94.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -163.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F115 I191 | F115-G118 CarbonylContact C-O 3.46Å; F115-G118 WeakPolarHBondContact CA-O 3.49Å; F115-G118 WeakPolarHBondContact CB-O 3.43Å; F115-G118 PolarHBondContact N-O 3.25Å; F115-G118 PolarHBondContact O-N 3.28Å; F115-G118 VanDerWaalsContact O-O 3.05Å; G118-I191 CarbonylContact C-O 3.54Å; G118-I191 WeakPolarHBondContact CA-O 3.37Å |
| 119 | Q | 96.7 | Very high | 91 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 152.7 | -177.1 | 63.4 | -174.7 | 31.4 | 0 | 0 | 113.1 | Y97 I113 I191 | Y97-Q119 PolarHBondContact OH-O 3.19Å; I113-Q119 CarbonylContact O-C 3.49Å; I113-Q119 WeakPolarHBondContact O-CA 3.35Å; I113-Q119 VanDerWaalsContact O-CB 3.29Å; I113-Q119 WeakPolarHBondContact O-CB 3.32Å; Q119-I191 HydrophobicContact CG-CG2 3.41Å; Q119-I191 VanDerWaalsContact CG-CG2 3.41Å; Q119-I191 PolarHBondContact N-O 3.08Å; Q119-I191 PolarHBondContact O-N 3.07Å |
| 120 | I | 97.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.6 | 157 | -61.5 | 150.4 | 0 | 0 | 0 | 106.5 | Y97 A112 I113 F115 I164 I170 L172 G189 I190 | Y97-I120 HydrophobicContact CE2-CG1 4.48Å; A112-I120 CarbonylContact C-O 3.58Å; A112-I120 VanDerWaalsContact CA-O 3.28Å; A112-I120 WeakPolarHBondContact CA-O 3.38Å; I113-I120 HydrophobicContact CB-CB 4.21Å; I113-I120 HydrophobicContact CB-CD1 4.26Å; I113-I120 HydrophobicContact CD1-CD1 4.11Å; I113-I120 PolarHBondContact N-O 2.48Å; I113-I120 PolarHBondContact O-N 3.22Å; F115-I120 HydrophobicContact CE2-CD1 3.78Å; F115-I120 HydrophobicContact CE2-CG1 3.94Å; F115-I120 HydrophobicContact CZ-CD1 3.69Å; F115-I120 HydrophobicContact CZ-CG1 4.36Å; I120-I164 HydrophobicContact CD1-CD1 4.05Å; I120-I164 HydrophobicContact CD1-CG1 4.24Å; I120-I170 HydrophobicContact CD1-CD1 4.18Å; I120-I170 HydrophobicContact CD1-CG2 3.85Å; I120-I170 HydrophobicContact CG1-CD1 4.43Å; I120-I170 HydrophobicContact CG1-CG2 4.28Å; I120-L172 HydrophobicContact CG2-CD2 4.28Å; I120-G189 WeakPolarHBondContact CA-O 3.17Å; I120-I190 HydrophobicContact CB-CG2 4.38Å; I120-I190 HydrophobicContact CG1-CG2 3.69Å; I120-I190 HydrophobicContact CG2-CG2 4.45Å |
| 121 | F | 95.7 | Very high | 90.1 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.5 | -177.6 | 61.8 | -89.9 | 0 | 0 | 0 | 111 | Q187 I188 G189 I191 R204 N206 | F121-Q187 HydrophobicContact CD2-CB 4.48Å; F121-Q187 VanDerWaalsContact CD2-O 3.31Å; F121-Q187 WeakPolarHBondContact CD2-O 3.45Å; F121-Q187 HydrophobicContact CE2-CB 4.18Å; F121-I188 WeakPolarHBondContact O-CA 3.32Å; F121-G189 WeakPolarHBondContact CD1-O 3.39Å; F121-G189 PolarHBondContact N-O 3.3Å; F121-G189 PolarHBondContact O-N 3.07Å; F121-I191 HydrophobicContact CD1-CB 4.37Å; F121-I191 HydrophobicContact CD1-CG2 3.97Å; F121-I191 HydrophobicContact CE1-CB 4.05Å; F121-I191 HydrophobicContact CE1-CG2 4.16Å; F121-R204 HydrophobicContact CE1-CG 4.26Å; F121-R204 HydrophobicContact CZ-CG 4.13Å; F121-R204 VanDerWaalsContact CZ-NE 3.31Å; F121-N206 VanDerWaalsContact CZ-OD1 3.27Å; F121-N206 WeakPolarHBondContact CZ-OD1 3.27Å |
| 122 | I | 94.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 101.8 | 174.9 | -58.9 | 169.7 | 0 | 0 | 0 | 106 | G111 I124 W145 F147 I160 I188 | G111-I122 WeakPolarHBondContact O-CA 3.33Å; G111-I122 PolarHBondContact O-N 3.38Å; I122-I124 HydrophobicContact CG2-CD1 4.31Å; I122-I124 HydrophobicContact CG2-CG1 4.19Å; I122-W145 HydrophobicContact CD1-CD2 4.3Å; I122-W145 HydrophobicContact CD1-CE3 3.6Å; I122-W145 HydrophobicContact CD1-CH2 4.24Å; I122-W145 HydrophobicContact CD1-CZ3 3.58Å; I122-F147 HydrophobicContact CB-CZ 4.29Å; I122-F147 HydrophobicContact CG2-CE2 3.76Å; I122-F147 HydrophobicContact CG2-CZ 3.69Å; I122-I160 HydrophobicContact CD1-CB 4.36Å; I122-I160 HydrophobicContact CD1-CG2 3.85Å; I122-I160 HydrophobicContact CG2-CD1 3.76Å; I122-I188 HydrophobicContact CG1-CG2 4.21Å; I122-I188 HydrophobicContact CG2-CD1 4.26Å; I122-I188 HydrophobicContact CG2-CG1 4.25Å |
| 123 | N | 90.6 | Very high | 90.2 | Very high | 82 Ų | 82 | 37.6 Ų | 37.6 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.4 | 175.9 | 178.6 | 8.1 | 0 | 0 | 0 | 109.5 | Q187 | N123-Q187 HydrophobicContact CB-CB 4.2Å; N123-Q187 PolarHBondContact N-O 3.17Å; N123-Q187 PolarHBondContact O-N 2.62Å; N123-Q187 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 87.9 | Confident | 90.1 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | trans | -116.4 | 102.7 | 177.3 | -52.9 | 179.8 | 0 | 0 | 0 | 107.2 | I122 F127 F147 A158 I160 I181 L186 | I122-I124 HydrophobicContact CG2-CD1 4.31Å; I122-I124 HydrophobicContact CG2-CG1 4.19Å; I124-F127 HydrophobicContact CB-CB 4.14Å; I124-F127 HydrophobicContact CB-CG 4.42Å; I124-F127 HydrophobicContact CG2-CB 3.89Å; I124-F127 HydrophobicContact CG2-CD1 4.32Å; I124-F127 HydrophobicContact CG2-CD2 3.52Å; I124-F127 HydrophobicContact CG2-CE2 4.17Å; I124-F127 HydrophobicContact CG2-CG 3.64Å; I124-F127 PolarHBondContact O-N 3.26Å; I124-F147 HydrophobicContact CD1-CB 4.3Å; I124-F147 HydrophobicContact CD1-CD2 3.68Å; I124-F147 HydrophobicContact CD1-CE2 4.1Å; I124-F147 HydrophobicContact CD1-CG 3.97Å; I124-A158 HydrophobicContact CD1-CB 3.92Å; I124-I160 HydrophobicContact CD1-CD1 3.85Å; I124-I181 HydrophobicContact CG2-CD1 3.96Å; I124-L186 HydrophobicContact CB-CD2 4.31Å; I124-L186 HydrophobicContact CG1-CD2 4.31Å; I124-L186 HydrophobicContact CG2-CD2 3.82Å | ||
| 125 | P | 84.1 | Confident | 90.1 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 143.6 | 178.1 | -24.8 | 34.1 | 0 | 0 | 0 | 111.8 | F127 | P125-F127 WeakPolarHBondContact O-CD2 3.45Å; P125-F127 PolarHBondContact O-N 3.46Å |
| 126 | N | 81.4 | Confident | 90.1 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 15.1 | -178.7 | -53.5 | -14.1 | 0 | 0 | 0 | 115.3 | N150 E151 | N126-N150 VanDerWaalsContact O-CB 3.3Å; N126-N150 WeakPolarHBondContact O-CB 3.47Å; N126-N150 PolarHBondContact O-N 3.46Å; N126-E151 PolarHBondContact ND2-OE1 3.09Å |
| 127 | F | 84 | Confident | 90.2 | Very high | 28 Ų | 28 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.4 | 172.4 | -77.1 | -118 | 0 | 0 | 0 | 109.5 | I124 P125 F147 K148 G156 A158 I181 | I124-F127 HydrophobicContact CB-CB 4.14Å; I124-F127 HydrophobicContact CB-CG 4.42Å; I124-F127 HydrophobicContact CG2-CB 3.89Å; I124-F127 HydrophobicContact CG2-CD1 4.32Å; I124-F127 HydrophobicContact CG2-CD2 3.52Å; I124-F127 HydrophobicContact CG2-CE2 4.17Å; I124-F127 HydrophobicContact CG2-CG 3.64Å; I124-F127 PolarHBondContact O-N 3.26Å; P125-F127 WeakPolarHBondContact O-CD2 3.45Å; P125-F127 PolarHBondContact O-N 3.46Å; F127-F147 HydrophobicContact CB-CB 4.02Å; F127-F147 HydrophobicContact CD1-CB 3.85Å; F127-F147 WeakPolarHBondContact CD1-O 3.39Å; F127-F147 HydrophobicContact CG-CB 4.38Å; F127-K148 CarbonylContact C-O 3.58Å; F127-K148 WeakPolarHBondContact CA-O 3.34Å; F127-K148 WeakPolarHBondContact CB-O 3.17Å; F127-K148 VanDerWaalsContact CD1-C 3.47Å; F127-G156 WeakPolarHBondContact CE1-O 3.36Å; F127-A158 HydrophobicContact CD1-CB 4.39Å; F127-A158 HydrophobicContact CE1-CB 4.21Å; F127-I181 HydrophobicContact CD2-CG2 4.47Å; F127-I181 HydrophobicContact CE2-CD1 4.5Å; F127-I181 HydrophobicContact CE2-CG2 3.46Å; F127-I181 VanDerWaalsContact CE2-CG2 3.46Å; F127-I181 HydrophobicContact CZ-CD1 4.25Å; F127-I181 HydrophobicContact CZ-CG2 3.8Å |
| 128 | H | 83.1 | Confident | 90.2 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.2 | 168 | 63.4 | -81.9 | 0 | 0 | 0 | 108.9 | K148 N150 | H128-K148 PolarHBondContact N-O 3.18Å; H128-K148 PolarHBondContact ND1-O 3.47Å; H128-K148 PolarHBondContact O-N 2.72Å; H128-N150 PolarHBondContact N-OD1 3.5Å; H128-N150 PolarHBondContact ND1-OD1 2.94Å |
| 129 | S | 78.7 | Confident | 90.1 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135 | 172 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | K109 | K109-S129 WeakPolarHBondContact O-CB 3.44Å; K109-S129 PolarHBondContact O-OG 2.95Å |
| 130 | S | 73.9 | Confident | 90.1 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -44 | 171.5 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | S146 | S130-S146 PolarHBondContact N-O 3.35Å; S130-S146 VanDerWaalsContact N-O 3.16Å; S130-S146 PolarHBondContact OG-O 2.83Å |
| 131 | D | 86.6 | Confident | 90.1 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 164.3 | -167.2 | 44.3 | 23.1 | 0 | 0 | 0 | 109.6 | K82 S146 | K82-D131 VanDerWaalsContact CE-CB 3.5Å; K82-D131 VanDerWaalsContact CE-CG 3.43Å; K82-D131 WeakPolarHBondContact CE-OD2 3.17Å; K82-D131 HydrophobicContact CG-CB 4.43Å; K82-D131 IonicContact NZ-OD2 2.63Å; K82-D131 PolarHBondContact NZ-OD2 2.87Å; D131-S146 PolarHBondContact O-N 2.93Å |
| 132 | F | 94.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159 | 170.8 | 65.3 | -79 | 0 | 0 | 0 | 111 | F83 D85 Q87 I107 K109 I134 V143 K144 W145 | F83-F132 HydrophobicContact CB-CD1 4.44Å; F83-F132 HydrophobicContact CB-CE1 4Å; F83-F132 HydrophobicContact CB-CE2 4.12Å; F83-F132 HydrophobicContact CB-CZ 3.85Å; F83-F132 PolarHBondContact N-O 2.86Å; F83-F132 PolarHBondContact O-N 3.41Å; F83-F132 VanDerWaalsContact O-N 3.14Å; D85-F132 WeakPolarHBondContact O-CE1 3.35Å; D85-F132 VanDerWaalsContact O-CZ 3.32Å; D85-F132 WeakPolarHBondContact O-CZ 3.39Å; Q87-F132 HydrophobicContact CB-CE2 4.35Å; Q87-F132 HydrophobicContact CB-CZ 4.24Å; Q87-F132 HydrophobicContact CG-CE2 4.02Å; Q87-F132 HydrophobicContact CG-CZ 3.76Å; I107-F132 HydrophobicContact CB-CE2 4.03Å; I107-F132 HydrophobicContact CB-CZ 4.47Å; I107-F132 HydrophobicContact CG2-CD2 3.83Å; I107-F132 HydrophobicContact CG2-CE2 3.41Å; I107-F132 VanDerWaalsContact CG2-CE2 3.41Å; I107-F132 HydrophobicContact CG2-CZ 3.98Å; K109-F132 HydrophobicContact CB-CD1 4.15Å; K109-F132 HydrophobicContact CB-CE1 3.93Å; F132-I134 HydrophobicContact CD2-CD1 4.39Å; F132-I134 HydrophobicContact CD2-CG1 3.94Å; F132-I134 HydrophobicContact CE2-CD1 3.8Å; F132-I134 HydrophobicContact CE2-CG1 3.86Å; F132-V143 HydrophobicContact CD2-CG1 4.02Å; F132-K144 CarbonylContact C-O 3.59Å; F132-K144 WeakPolarHBondContact CA-O 2.9Å; F132-K144 VanDerWaalsContact CB-O 3.25Å; F132-K144 WeakPolarHBondContact CB-O 3.41Å; F132-W145 HydrophobicContact CB-CG 4.13Å |
| 133 | E | 95.6 | Very high | 90.2 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.29 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139 | 179.7 | -58.2 | 167 | -142 | 0 | 0 | 110.6 | F80 I81 K82 V143 K144 | F80-E133 HydrophobicContact CB-CB 3.97Å; F80-E133 VanDerWaalsContact CB-OE2 3.3Å; F80-E133 WeakPolarHBondContact CB-OE2 3.26Å; F80-E133 HydrophobicContact CD1-CB 3.86Å; F80-E133 HydrophobicContact CG-CB 4.3Å; I81-E133 CarbonylContact O-C 3.52Å; I81-E133 VanDerWaalsContact O-CA 3.24Å; I81-E133 WeakPolarHBondContact O-CA 3.31Å; K82-E133 HydrophobicContact CB-CG 4.33Å; K82-E133 HydrophobicContact CG-CG 4.5Å; E133-V143 CarbonylContact O-C 3.56Å; E133-V143 VanDerWaalsContact O-CA 3.31Å; E133-V143 WeakPolarHBondContact O-CA 3.32Å; E133-K144 HydrophobicContact CB-CB 4.28Å; E133-K144 PolarHBondContact N-O 2.88Å; E133-K144 PolarHBondContact O-N 2.88Å |
| 134 | I | 96.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.9 | 178.9 | -51.5 | 170.3 | 0 | 0 | 0 | 110.2 | I81 F83 Q87 V89 I107 F132 V141 A142 | I81-I134 PolarHBondContact N-O 2.8Å; I81-I134 PolarHBondContact O-N 3.5Å; F83-I134 HydrophobicContact CD2-CB 4.34Å; F83-I134 HydrophobicContact CD2-CD1 3.65Å; F83-I134 HydrophobicContact CD2-CG1 3.82Å; F83-I134 HydrophobicContact CE2-CB 3.96Å; F83-I134 HydrophobicContact CE2-CD1 3.58Å; F83-I134 HydrophobicContact CE2-CG1 3.87Å; F83-I134 HydrophobicContact CG-CD1 4.45Å; F83-I134 HydrophobicContact CZ-CD1 4.31Å; Q87-I134 HydrophobicContact CB-CD1 3.78Å; Q87-I134 HydrophobicContact CG-CD1 3.82Å; V89-I134 HydrophobicContact CG2-CD1 3.98Å; I107-I134 HydrophobicContact CD1-CD1 3.65Å; I107-I134 HydrophobicContact CD1-CG1 3.89Å; I107-I134 HydrophobicContact CD1-CG2 4.49Å; F132-I134 HydrophobicContact CD2-CD1 4.39Å; F132-I134 HydrophobicContact CD2-CG1 3.94Å; F132-I134 HydrophobicContact CE2-CD1 3.8Å; F132-I134 HydrophobicContact CE2-CG1 3.86Å; I134-V141 HydrophobicContact CG2-CG1 4.35Å; I134-A142 CarbonylContact C-O 3.52Å; I134-A142 WeakPolarHBondContact CA-O 3.47Å |
| 135 | L | 96.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.4 | 161.5 | 171.2 | 63.2 | 0 | 0 | 0 | 108.2 | V75 S79 F80 L140 V141 A142 | V75-L135 HydrophobicContact CG1-CD2 3.87Å; S79-L135 WeakPolarHBondContact OG-CD1 3.29Å; F80-L135 HydrophobicContact CD1-CB 3.82Å; F80-L135 HydrophobicContact CD2-CB 4.46Å; F80-L135 HydrophobicContact CE1-CB 3.54Å; F80-L135 HydrophobicContact CE2-CB 4.21Å; F80-L135 HydrophobicContact CE2-CD2 4.04Å; F80-L135 HydrophobicContact CG-CB 4.28Å; F80-L135 HydrophobicContact CZ-CB 3.75Å; F80-L135 HydrophobicContact CZ-CD2 3.94Å; L135-L140 HydrophobicContact CD2-CD1 4.16Å; L135-V141 CarbonylContact O-C 3.48Å; L135-V141 VanDerWaalsContact O-CA 3.23Å; L135-V141 WeakPolarHBondContact O-CA 3.02Å; L135-V141 WeakPolarHBondContact O-CG1 3.44Å; L135-A142 HydrophobicContact CB-CB 4.22Å; L135-A142 PolarHBondContact N-O 3.04Å; L135-A142 PolarHBondContact O-N 2.87Å |
| 136 | N | 95.7 | Very high | 91.3 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 96.3 | 176.8 | 177.6 | 13.8 | 0 | 0 | 0 | 109.4 | N90 K92 V141 | N90-N136 PolarHBondContact O-ND2 2.87Å; K92-N136 VanDerWaalsContact CE-O 3.3Å; K92-N136 WeakPolarHBondContact CE-O 3.21Å; K92-N136 PolarHBondContact N-OD1 3.37Å; K92-N136 PolarHBondContact NZ-O 3.44Å; N136-V141 HydrophobicContact CB-CG2 4.31Å; N136-V141 WeakPolarHBondContact OD1-CG2 3.2Å |
| 137 | D | 92.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | trans | -112.1 | -168.8 | 176.9 | 68.6 | 41.6 | 0 | 0 | 0 | 111.3 | K92 E139 L140 | K92-D137 WeakPolarHBondContact CB-O 3.38Å; D137-E139 WeakPolarHBondContact OD1-CA 2.87Å; D137-E139 PolarHBondContact OD1-N 2.88Å; D137-L140 PolarHBondContact N-O 2.86Å; D137-L140 PolarHBondContact OD1-N 3.34Å; D137-L140 VanDerWaalsContact OD1-O 3.14Å | ||
| 138 | K | 93.6 | Very high | 92 | Very high | 172 Ų | 172 | 41.3 Ų | 41.3 | 75% | 0.748 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -80.2 | -18 | -176.5 | -66.2 | -178.4 | -179.5 | 177.7 | 0 | 113.1 | K92 F93 | K92-K138 HydrophobicContact CB-CG 4.46Å; K92-K138 HydrophobicContact CD-CG 4.49Å; F93-K138 WeakPolarHBondContact CD1-O 3.36Å |
| 139 | E | 92.5 | Very high | 92.1 | Very high | 150 Ų | 150 | 37.8 Ų | 37.8 | 70% | 0.701 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -102.6 | -34.9 | -174 | -62.9 | -177.9 | -179.5 | 0 | 0 | 111.6 | D137 A166 | D137-E139 WeakPolarHBondContact OD1-CA 2.87Å; D137-E139 PolarHBondContact OD1-N 2.88Å; E139-A166 WeakPolarHBondContact O-CB 3.35Å; E139-A166 PolarHBondContact O-N 3.33Å |
| 140 | L | 95.6 | Very high | 92 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 162.3 | -179.3 | 64.7 | 85.4 | 0 | 0 | 0 | 113.9 | V75 L135 D137 A142 L163 I164 | V75-L140 HydrophobicContact CG2-CD1 4.42Å; V75-L140 HydrophobicContact CG2-CD2 4.25Å; L135-L140 HydrophobicContact CD2-CD1 4.16Å; D137-L140 PolarHBondContact N-O 2.86Å; D137-L140 PolarHBondContact OD1-N 3.34Å; D137-L140 VanDerWaalsContact OD1-O 3.14Å; L140-A142 HydrophobicContact CD1-CB 3.81Å; L140-L163 HydrophobicContact CD2-CD2 4.39Å; L140-I164 CarbonylContact C-O 3.44Å; L140-I164 WeakPolarHBondContact CA-O 3.34Å; L140-I164 WeakPolarHBondContact CB-O 3.45Å |
| 141 | V | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.3 | 160.3 | -179.5 | 0 | 0 | 0 | 0 | 108 | V89 P91 F93 F105 I134 L135 N136 V143 L163 I164 | V89-V141 HydrophobicContact CG1-CG1 4.5Å; P91-V141 HydrophobicContact CB-CG2 4.13Å; P91-V141 HydrophobicContact CG-CG2 4.4Å; F93-V141 HydrophobicContact CE1-CG2 4.02Å; F93-V141 HydrophobicContact CZ-CG2 3.91Å; F105-V141 HydrophobicContact CZ-CB 4.33Å; F105-V141 HydrophobicContact CZ-CG1 3.97Å; F105-V141 HydrophobicContact CZ-CG2 4.35Å; I134-V141 HydrophobicContact CG2-CG1 4.35Å; L135-V141 CarbonylContact O-C 3.48Å; L135-V141 VanDerWaalsContact O-CA 3.23Å; L135-V141 WeakPolarHBondContact O-CA 3.02Å; L135-V141 WeakPolarHBondContact O-CG1 3.44Å; N136-V141 HydrophobicContact CB-CG2 4.31Å; N136-V141 WeakPolarHBondContact OD1-CG2 3.2Å; V141-V143 HydrophobicContact CG1-CG2 4.38Å; V141-L163 CarbonylContact O-C 3.55Å; V141-L163 WeakPolarHBondContact O-CA 3.31Å; V141-I164 PolarHBondContact N-O 2.97Å; V141-I164 PolarHBondContact O-N 3.24Å |
| 142 | A | 97.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | F80 I134 L135 L140 C162 L163 | F80-A142 HydrophobicContact CE1-CB 3.9Å; F80-A142 HydrophobicContact CZ-CB 3.88Å; I134-A142 CarbonylContact C-O 3.52Å; I134-A142 WeakPolarHBondContact CA-O 3.47Å; L135-A142 HydrophobicContact CB-CB 4.22Å; L135-A142 PolarHBondContact N-O 3.04Å; L135-A142 PolarHBondContact O-N 2.87Å; L140-A142 HydrophobicContact CD1-CB 3.81Å; A142-C162 CarbonylContact C-O 3.59Å; A142-C162 VanDerWaalsContact CA-O 3.25Å; A142-C162 WeakPolarHBondContact CA-O 3.46Å; A142-L163 HydrophobicContact CB-CG 4.21Å |
| 143 | V | 96.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.3 | 178.4 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | I107 I113 F132 E133 V141 W145 T161 C162 | I107-V143 HydrophobicContact CD1-CG1 4.28Å; I107-V143 HydrophobicContact CD1-CG2 3.54Å; I107-V143 HydrophobicContact CG1-CG2 4.36Å; I107-V143 HydrophobicContact CG2-CG1 3.92Å; I113-V143 HydrophobicContact CD1-CB 4.49Å; I113-V143 HydrophobicContact CD1-CG2 3.92Å; F132-V143 HydrophobicContact CD2-CG1 4.02Å; E133-V143 CarbonylContact O-C 3.56Å; E133-V143 VanDerWaalsContact O-CA 3.31Å; E133-V143 WeakPolarHBondContact O-CA 3.32Å; V141-V143 HydrophobicContact CG1-CG2 4.38Å; V143-W145 HydrophobicContact CB-CE3 4.33Å; V143-W145 HydrophobicContact CB-CH2 3.7Å; V143-W145 HydrophobicContact CB-CZ2 4.23Å; V143-W145 HydrophobicContact CB-CZ3 3.74Å; V143-W145 HydrophobicContact CG1-CD2 3.98Å; V143-W145 HydrophobicContact CG1-CE3 3.95Å; V143-W145 HydrophobicContact CG1-CH2 3.47Å; V143-W145 VanDerWaalsContact CG1-CH2 3.47Å; V143-W145 HydrophobicContact CG1-CZ2 3.49Å; V143-W145 VanDerWaalsContact CG1-CZ2 3.49Å; V143-W145 HydrophobicContact CG1-CZ3 3.7Å; V143-W145 HydrophobicContact CG2-CH2 4.46Å; V143-T161 CarbonylContact O-C 3.49Å; V143-T161 VanDerWaalsContact O-CA 3.29Å; V143-T161 WeakPolarHBondContact O-CA 3.32Å; V143-C162 PolarHBondContact N-O 3.23Å; V143-C162 PolarHBondContact O-N 3.03Å |
| 144 | K | 95.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 19% | 0.191 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.1 | 177.6 | -65.7 | 174.8 | 172.2 | 166.4 | 0 | 109.1 | F80 F132 E133 T161 | F80-K144 HydrophobicContact CD1-CD 3.9Å; F80-K144 HydrophobicContact CD1-CG 4.28Å; F80-K144 HydrophobicContact CD2-CD 4.49Å; F80-K144 VanDerWaalsContact CD2-NZ 3.32Å; F80-K144 HydrophobicContact CE1-CD 3.71Å; F80-K144 HydrophobicContact CE1-CG 3.82Å; F80-K144 HydrophobicContact CE2-CD 4.33Å; F80-K144 HydrophobicContact CG-CD 4.3Å; F80-K144 HydrophobicContact CZ-CD 3.95Å; F80-K144 HydrophobicContact CZ-CG 4.31Å; F132-K144 CarbonylContact C-O 3.59Å; F132-K144 WeakPolarHBondContact CA-O 2.9Å; F132-K144 VanDerWaalsContact CB-O 3.25Å; F132-K144 WeakPolarHBondContact CB-O 3.41Å; E133-K144 HydrophobicContact CB-CB 4.28Å; E133-K144 PolarHBondContact N-O 2.88Å; E133-K144 PolarHBondContact O-N 2.88Å; K144-T161 HydrophobicContact CG-CG2 3.78Å |
| 145 | W | 95.2 | Very high | 85.8 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.1 | 170.7 | -68 | -93.8 | 0 | 0 | 0 | 110.9 | I107 D108 I113 I122 F132 V143 F147 K159 I160 C162 | I107-W145 HydrophobicContact CG2-CZ2 3.82Å; D108-W145 PolarHBondContact O-NE1 3.44Å; D108-W145 VanDerWaalsContact O-NE1 3.17Å; I113-W145 HydrophobicContact CD1-CH2 3.89Å; I113-W145 HydrophobicContact CG1-CH2 3.7Å; I113-W145 HydrophobicContact CG1-CZ2 4.11Å; I122-W145 HydrophobicContact CD1-CD2 4.3Å; I122-W145 HydrophobicContact CD1-CE3 3.6Å; I122-W145 HydrophobicContact CD1-CH2 4.24Å; I122-W145 HydrophobicContact CD1-CZ3 3.58Å; F132-W145 HydrophobicContact CB-CG 4.13Å; V143-W145 HydrophobicContact CB-CE3 4.33Å; V143-W145 HydrophobicContact CB-CH2 3.7Å; V143-W145 HydrophobicContact CB-CZ2 4.23Å; V143-W145 HydrophobicContact CB-CZ3 3.74Å; V143-W145 HydrophobicContact CG1-CD2 3.98Å; V143-W145 HydrophobicContact CG1-CE3 3.95Å; V143-W145 HydrophobicContact CG1-CH2 3.47Å; V143-W145 VanDerWaalsContact CG1-CH2 3.47Å; V143-W145 HydrophobicContact CG1-CZ2 3.49Å; V143-W145 VanDerWaalsContact CG1-CZ2 3.49Å; V143-W145 HydrophobicContact CG1-CZ3 3.7Å; V143-W145 HydrophobicContact CG2-CH2 4.46Å; W145-F147 HydrophobicContact CB-CD2 4.02Å; W145-F147 HydrophobicContact CB-CE1 4.37Å; W145-F147 HydrophobicContact CB-CE2 3.32Å; W145-F147 HydrophobicContact CB-CZ 3.53Å; W145-F147 HydrophobicContact CG-CE2 4.1Å; W145-F147 AromaticContact CG-CZ 3.84Å; W145-F147 HydrophobicContact CG-CZ 3.84Å; W145-K159 WeakPolarHBondContact O-CA 3.33Å; W145-I160 PolarHBondContact N-O 3.12Å; W145-I160 PolarHBondContact O-N 3.38Å; W145-I160 VanDerWaalsContact O-N 3.13Å; W145-C162 HydrophobicContact CH2-CB 4.14Å; W145-C162 HydrophobicContact CZ3-CB 3.6Å |
| 146 | S | 93.4 | Very high | 85 | Confident | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.6 | 166.6 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | S130 D131 | S130-S146 PolarHBondContact N-O 3.35Å; S130-S146 VanDerWaalsContact N-O 3.16Å; S130-S146 PolarHBondContact OG-O 2.83Å; D131-S146 PolarHBondContact O-N 2.93Å |
| 147 | F | 91.6 | Very high | 84.7 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127 | 178.2 | -58.2 | -85.2 | 0 | 0 | 0 | 109.6 | T110 I122 I124 F127 W145 T157 A158 I160 | T110-F147 WeakPolarHBondContact O-CE1 3.48Å; I122-F147 HydrophobicContact CB-CZ 4.29Å; I122-F147 HydrophobicContact CG2-CE2 3.76Å; I122-F147 HydrophobicContact CG2-CZ 3.69Å; I124-F147 HydrophobicContact CD1-CB 4.3Å; I124-F147 HydrophobicContact CD1-CD2 3.68Å; I124-F147 HydrophobicContact CD1-CE2 4.1Å; I124-F147 HydrophobicContact CD1-CG 3.97Å; F127-F147 HydrophobicContact CB-CB 4.02Å; F127-F147 HydrophobicContact CD1-CB 3.85Å; F127-F147 WeakPolarHBondContact CD1-O 3.39Å; F127-F147 HydrophobicContact CG-CB 4.38Å; W145-F147 HydrophobicContact CB-CD2 4.02Å; W145-F147 HydrophobicContact CB-CE1 4.37Å; W145-F147 HydrophobicContact CB-CE2 3.32Å; W145-F147 HydrophobicContact CB-CZ 3.53Å; W145-F147 HydrophobicContact CG-CE2 4.1Å; W145-F147 AromaticContact CG-CZ 3.84Å; W145-F147 HydrophobicContact CG-CZ 3.84Å; F147-T157 CarbonylContact O-C 3.55Å; F147-T157 VanDerWaalsContact O-CA 3.3Å; F147-T157 WeakPolarHBondContact O-CA 3.17Å; F147-A158 HydrophobicContact CB-CB 4.24Å; F147-A158 PolarHBondContact N-O 2.83Å; F147-A158 PolarHBondContact O-N 2.03Å; F147-I160 HydrophobicContact CE2-CD1 4.39Å |
| 148 | K | 88.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.9 | 176.5 | -64.5 | -177 | -178.2 | 179.5 | 0 | 110.2 | F127 H128 | F127-K148 CarbonylContact C-O 3.58Å; F127-K148 WeakPolarHBondContact CA-O 3.34Å; F127-K148 WeakPolarHBondContact CB-O 3.17Å; F127-K148 VanDerWaalsContact CD1-C 3.47Å; H128-K148 PolarHBondContact N-O 3.18Å; H128-K148 PolarHBondContact ND1-O 3.47Å; H128-K148 PolarHBondContact O-N 2.72Å |
| 149 | S | 84.4 | Confident | 84.6 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 139.4 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 111 | E151 G156 | S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 PolarHBondContact OG-N 2.5Å; S149-E151 VanDerWaalsContact OG-N 3.1Å; S149-G156 PolarHBondContact N-O 2.92Å |
| 150 | N | 78.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -77.1 | -16.8 | 169.2 | -63.1 | -9.2 | 0 | 0 | 0 | 112.2 | N126 H128 | N126-N150 VanDerWaalsContact O-CB 3.3Å; N126-N150 WeakPolarHBondContact O-CB 3.47Å; N126-N150 PolarHBondContact O-N 3.46Å; H128-N150 PolarHBondContact N-OD1 3.5Å; H128-N150 PolarHBondContact ND1-OD1 2.94Å |
| 151 | E | 75 | Confident | 84.8 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -83.9 | 117.4 | -177.8 | -64.9 | 173.9 | -167.1 | 0 | 0 | 110.6 | N126 S149 G153 T154 | N126-E151 PolarHBondContact ND2-OE1 3.09Å; S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 PolarHBondContact OG-N 2.5Å; S149-E151 VanDerWaalsContact OG-N 3.1Å; E151-G153 PolarHBondContact O-N 3.21Å; E151-T154 PolarHBondContact O-N 3.44Å |
| 152 | D | 61 | Low | 84.8 | Confident | 167 Ų | 167 | 46.9 Ų | 46.9 | 89% | 0.893 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 132.9 | 172.4 | -68.2 | -37.4 | 0 | 0 | 0 | 110.8 | ||
| 153 | G | 60.7 | Low | 84.8 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 81% | 0.814 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E151 | E151-G153 PolarHBondContact O-N 3.21Š|
| 154 | T | 59.2 | Low | 84.8 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | trans | -103.3 | 96.6 | 170.3 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | E151 G156 K180 | E151-T154 PolarHBondContact O-N 3.44Å; T154-G156 PolarHBondContact O-N 2.85Å; T154-K180 HydrophobicContact CG2-CD 3.77Å; T154-K180 PolarHBondContact OG1-NZ 3.11Å | ||
| 155 | D | 59.7 | Low | 84.8 | Confident | 174 Ų | 174 | 46.9 Ų | 46.9 | 93% | 0.93 | 26% | 0.262 | S | S | * | . | trans | -67.7 | 30.6 | 174.6 | -84.3 | -17.3 | 0 | 0 | 0 | 114.3 | T157 | D155-T157 PolarHBondContact O-N 3.38Š| ||
| 156 | G | 79.9 | Confident | 84.7 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | trans | -89 | 107.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | F127 S149 T154 P178 | F127-G156 WeakPolarHBondContact CE1-O 3.36Å; S149-G156 PolarHBondContact N-O 2.92Å; T154-G156 PolarHBondContact O-N 2.85Å; G156-P178 VanDerWaalsContact CA-CG 3.48Å | ||
| 157 | T | 89.8 | Confident | 84.5 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.5 | 160.1 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | F147 D155 K159 N176 | F147-T157 CarbonylContact O-C 3.55Å; F147-T157 VanDerWaalsContact O-CA 3.3Å; F147-T157 WeakPolarHBondContact O-CA 3.17Å; D155-T157 PolarHBondContact O-N 3.38Å; T157-K159 HydrophobicContact CG2-CG 4.09Å; T157-N176 PolarHBondContact O-ND2 3.33Å |
| 158 | A | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I124 F127 F147 N176 I181 | I124-A158 HydrophobicContact CD1-CB 3.92Å; F127-A158 HydrophobicContact CD1-CB 4.39Å; F127-A158 HydrophobicContact CE1-CB 4.21Å; F147-A158 HydrophobicContact CB-CB 4.24Å; F147-A158 PolarHBondContact N-O 2.83Å; F147-A158 PolarHBondContact O-N 2.03Å; A158-N176 CarbonylContact C-O 3.52Å; A158-N176 VanDerWaalsContact CA-O 3.26Å; A158-N176 WeakPolarHBondContact CA-O 2.96Å; A158-I181 HydrophobicContact CB-CD1 4.14Å |
| 159 | K | 93.8 | Very high | 84.7 | Confident | 104 Ų | 104 | 49.3 Ų | 49.3 | 45% | 0.452 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.6 | -179.9 | -67.1 | -174.4 | 178.8 | -178.8 | 0 | 109.6 | W145 T157 A175 N176 | W145-K159 WeakPolarHBondContact O-CA 3.33Å; T157-K159 HydrophobicContact CG2-CG 4.09Å; K159-A175 HydrophobicContact CB-CB 3.99Å; K159-A175 PolarHBondContact O-N 2.93Å; K159-N176 HydrophobicContact CB-CB 4.21Å; K159-N176 PolarHBondContact N-O 3.41Å; K159-N176 PolarHBondContact O-N 3.19Å |
| 160 | I | 95.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.2 | -176.2 | -53.9 | -177.7 | 0 | 0 | 0 | 109.1 | I122 I124 W145 F147 Y173 F174 I177 I188 | I122-I160 HydrophobicContact CD1-CB 4.36Å; I122-I160 HydrophobicContact CD1-CG2 3.85Å; I122-I160 HydrophobicContact CG2-CD1 3.76Å; I124-I160 HydrophobicContact CD1-CD1 3.85Å; W145-I160 PolarHBondContact N-O 3.12Å; W145-I160 PolarHBondContact O-N 3.38Å; W145-I160 VanDerWaalsContact O-N 3.13Å; F147-I160 HydrophobicContact CE2-CD1 4.39Å; I160-Y173 WeakPolarHBondContact CA-O 3.2Å; I160-F174 HydrophobicContact CD1-CD1 4.01Å; I160-F174 HydrophobicContact CD1-CE1 4.14Å; I160-F174 HydrophobicContact CG1-CD1 4.08Å; I160-F174 HydrophobicContact CG2-CD1 4.15Å; I160-F174 HydrophobicContact CG2-CE1 4.24Å; I160-I177 HydrophobicContact CD1-CD1 4.04Å; I160-I177 HydrophobicContact CG1-CD1 4.06Å; I160-I188 HydrophobicContact CD1-CD1 3.83Å |
| 161 | T | 96.4 | Very high | 86.2 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.4 | 177.8 | -50.6 | 0 | 0 | 0 | 0 | 109.5 | H73 V143 K144 L163 L172 Y173 | H73-T161 PolarHBondContact NE2-OG1 3.47Å; V143-T161 CarbonylContact O-C 3.49Å; V143-T161 VanDerWaalsContact O-CA 3.29Å; V143-T161 WeakPolarHBondContact O-CA 3.32Å; K144-T161 HydrophobicContact CG-CG2 3.78Å; T161-L163 HydrophobicContact CG2-CD1 3.92Å; T161-L163 HydrophobicContact CG2-CG 4.34Å; T161-L172 CarbonylContact O-C 3.49Å; T161-L172 WeakPolarHBondContact O-CA 3.14Å; T161-Y173 PolarHBondContact N-O 3Å; T161-Y173 PolarHBondContact O-N 2.91Å |
| 162 | C | 97.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.9 | 167 | -176.4 | 0 | 0 | 0 | 0 | 110 | I113 A142 V143 W145 S171 L172 | I113-C162 HydrophobicContact CD1-CB 4.29Å; A142-C162 CarbonylContact C-O 3.59Å; A142-C162 VanDerWaalsContact CA-O 3.25Å; A142-C162 WeakPolarHBondContact CA-O 3.46Å; V143-C162 PolarHBondContact N-O 3.23Å; V143-C162 PolarHBondContact O-N 3.03Å; W145-C162 HydrophobicContact CH2-CB 4.14Å; W145-C162 HydrophobicContact CZ3-CB 3.6Å; C162-S171 CarbonylContact C-O 3.58Å; C162-S171 WeakPolarHBondContact CA-O 3.49Å; C162-L172 HydrophobicContact CB-CD2 3.75Å |
| 163 | L | 97.2 | Very high | 89 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136 | 174.8 | -54.7 | 87.7 | 0 | 0 | 0 | 109.2 | P74 V75 L140 V141 A142 T161 I170 S171 | P74-L163 HydrophobicContact CB-CD2 4.11Å; P74-L163 HydrophobicContact CG-CD1 3.66Å; P74-L163 HydrophobicContact CG-CD2 3.91Å; P74-L163 HydrophobicContact CG-CG 4.49Å; V75-L163 HydrophobicContact CG2-CD2 3.35Å; V75-L163 HydrophobicContact CG2-CG 4.45Å; L140-L163 HydrophobicContact CD2-CD2 4.39Å; V141-L163 CarbonylContact O-C 3.55Å; V141-L163 WeakPolarHBondContact O-CA 3.31Å; A142-L163 HydrophobicContact CB-CG 4.21Å; T161-L163 HydrophobicContact CG2-CD1 3.92Å; T161-L163 HydrophobicContact CG2-CG 4.34Å; L163-I170 CarbonylContact O-C 3.5Å; L163-I170 VanDerWaalsContact O-CA 3.29Å; L163-I170 WeakPolarHBondContact O-CA 3.37Å; L163-S171 PolarHBondContact N-O 3.44Å; L163-S171 PolarHBondContact O-N 2.97Å |
| 164 | I | 97.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111.9 | 172.5 | -58.2 | 172.1 | 0 | 0 | 0 | 106.3 | F93 F95 F105 I113 F115 I120 L140 V141 | F93-I164 HydrophobicContact CE2-CG2 4.49Å; F93-I164 WeakPolarHBondContact CZ-O 3.3Å; F95-I164 HydrophobicContact CD1-CG2 4.32Å; F95-I164 HydrophobicContact CD2-CG2 3.96Å; F95-I164 HydrophobicContact CE1-CG2 4.05Å; F95-I164 HydrophobicContact CE2-CG2 3.66Å; F95-I164 HydrophobicContact CG-CG2 4.28Å; F95-I164 HydrophobicContact CZ-CD1 4.49Å; F95-I164 HydrophobicContact CZ-CG2 3.71Å; F105-I164 HydrophobicContact CE1-CD1 4.17Å; F105-I164 HydrophobicContact CZ-CD1 4.05Å; I113-I164 HydrophobicContact CD1-CD1 4.03Å; I113-I164 HydrophobicContact CG2-CD1 4.4Å; F115-I164 HydrophobicContact CE1-CD1 4.22Å; F115-I164 HydrophobicContact CZ-CD1 3.9Å; I120-I164 HydrophobicContact CD1-CD1 4.05Å; I120-I164 HydrophobicContact CD1-CG1 4.24Å; L140-I164 CarbonylContact C-O 3.44Å; L140-I164 WeakPolarHBondContact CA-O 3.34Å; L140-I164 WeakPolarHBondContact CB-O 3.45Å; V141-I164 PolarHBondContact N-O 2.97Å; V141-I164 PolarHBondContact O-N 3.24Å |
| 165 | H | 95.2 | Very high | 92.4 | Very high | 43 Ų | 43 | 29.5 Ų | 29.5 | 20% | 0.199 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 156 | -179.5 | -64.2 | -95.6 | 0 | 0 | 0 | 111.1 | N167 G168 K169 S171 | H165-N167 VanDerWaalsContact CB-OD1 3.29Å; H165-N167 WeakPolarHBondContact CB-OD1 3.35Å; H165-N167 PolarHBondContact O-N 3.39Å; H165-N167 VanDerWaalsContact O-N 3.15Å; H165-G168 PolarHBondContact O-N 2.92Å; H165-K169 HydrophobicContact CB-CB 4.19Å; H165-K169 PolarHBondContact CD2-O 2.88Å; H165-K169 PolarHBondContact N-O 3.47Å; H165-S171 PolarHBondContact NE2-OG 3.49Å |
| 166 | A | 93.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 24.3 Ų | 24.3 | 31% | 0.314 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F93 E139 G168 | F93-A166 HydrophobicContact CB-CB 4Å; F93-A166 HydrophobicContact CD1-CB 4.12Å; F93-A166 VanDerWaalsContact CD2-CA 3.47Å; F93-A166 HydrophobicContact CD2-CB 3.91Å; F93-A166 HydrophobicContact CE2-CB 4.39Å; F93-A166 HydrophobicContact CG-CB 3.74Å; E139-A166 WeakPolarHBondContact O-CB 3.35Å; E139-A166 PolarHBondContact O-N 3.33Å; A166-G168 PolarHBondContact O-N 2.01Å |
| 167 | N | 88.7 | Confident | 94.5 | Very high | 105 Ų | 105 | 24 Ų | 24 | 56% | 0.561 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -1 | 174.9 | 68.8 | 1.8 | 0 | 0 | 0 | 114.1 | H165 K169 | H165-N167 VanDerWaalsContact CB-OD1 3.29Å; H165-N167 WeakPolarHBondContact CB-OD1 3.35Å; H165-N167 PolarHBondContact O-N 3.39Å; H165-N167 VanDerWaalsContact O-N 3.15Å; N167-K169 VanDerWaalsContact OD1-CB 3.22Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 2.81Å |
| 168 | G | 91.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 87.9 | 1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H165 A166 | H165-G168 PolarHBondContact O-N 2.92Å; A166-G168 PolarHBondContact O-N 2.01Å |
| 169 | K | 93.9 | Very high | 94.1 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | trans | -65.2 | 135.6 | 170.6 | -177.3 | 170.3 | 72 | 167.1 | 0 | 110.1 | H165 N167 E219 Y220 E221 | H165-K169 HydrophobicContact CB-CB 4.19Å; H165-K169 PolarHBondContact CD2-O 2.88Å; H165-K169 PolarHBondContact N-O 3.47Å; N167-K169 VanDerWaalsContact OD1-CB 3.22Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 2.81Å; K169-E219 HydrophobicContact CD-CB 4.45Å; K169-E219 IonicContact NZ-OE1 2.82Å; K169-E219 PolarHBondContact NZ-OE1 3.49Å; K169-Y220 WeakPolarHBondContact CA-O 3.45Å; K169-E221 HydrophobicContact CB-CG 4.2Å; K169-E221 HydrophobicContact CD-CG 3.67Å; K169-E221 WeakPolarHBondContact CD-OE1 3.43Å; K169-E221 HydrophobicContact CG-CG 3.71Å | ||
| 170 | I | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.7 | 175.8 | -59 | 165 | 0 | 0 | 0 | 108.3 | Y97 I120 L163 I190 E219 Y220 | Y97-I170 HydrophobicContact CD2-CD1 3.76Å; Y97-I170 HydrophobicContact CE2-CD1 3.65Å; I120-I170 HydrophobicContact CD1-CD1 4.18Å; I120-I170 HydrophobicContact CD1-CG2 3.85Å; I120-I170 HydrophobicContact CG1-CD1 4.43Å; I120-I170 HydrophobicContact CG1-CG2 4.28Å; L163-I170 CarbonylContact O-C 3.5Å; L163-I170 VanDerWaalsContact O-CA 3.29Å; L163-I170 WeakPolarHBondContact O-CA 3.37Å; I170-I190 HydrophobicContact CD1-CG2 4.49Å; I170-E219 CarbonylContact O-C 3.52Å; I170-E219 WeakPolarHBondContact O-CA 3.26Å; I170-Y220 HydrophobicContact CB-CD2 4.45Å; I170-Y220 HydrophobicContact CG2-CD2 4.41Å; I170-Y220 PolarHBondContact N-O 3.35Å; I170-Y220 PolarHBondContact O-N 3.05Å |
| 171 | S | 97 | Very high | 92.8 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.3 | -179.4 | -44.9 | 0 | 0 | 0 | 0 | 110.4 | C162 L163 H165 M218 | C162-S171 CarbonylContact C-O 3.58Å; C162-S171 WeakPolarHBondContact CA-O 3.49Å; L163-S171 PolarHBondContact N-O 3.44Å; L163-S171 PolarHBondContact O-N 2.97Å; H165-S171 PolarHBondContact NE2-OG 3.49Å; S171-M218 CarbonylContact C-O 3.51Å; S171-M218 WeakPolarHBondContact CA-O 3.37Å |
| 172 | L | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.3 | 172.7 | -66.1 | 170 | 0 | 0 | 0 | 108.4 | I120 T161 C162 I188 V207 M218 Y220 | I120-L172 HydrophobicContact CG2-CD2 4.28Å; T161-L172 CarbonylContact O-C 3.49Å; T161-L172 WeakPolarHBondContact O-CA 3.14Å; C162-L172 HydrophobicContact CB-CD2 3.75Å; L172-I188 HydrophobicContact CD1-CG2 3.8Å; L172-V207 HydrophobicContact CD1-CG2 4.11Å; L172-M218 HydrophobicContact CB-CB 4.27Å; L172-M218 PolarHBondContact N-O 3.2Å; L172-M218 PolarHBondContact O-N 3.12Å; L172-Y220 HydrophobicContact CD1-CE2 4.1Å |
| 173 | Y | 97.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.3 | 177.1 | 179.6 | -103.4 | 0 | 0 | 0 | 110.5 | Q71 H73 P74 I160 T161 A175 L217 | Q71-Y173 HydrophobicContact CB-CE2 4.44Å; Q71-Y173 WeakPolarHBondContact O-CE2 3.32Å; Q71-Y173 PolarHBondContact O-OH 3.34Å; Q71-Y173 VanDerWaalsContact O-OH 3.13Å; H73-Y173 HydrophobicContact CB-CD1 4.32Å; H73-Y173 HydrophobicContact CB-CE1 3.74Å; H73-Y173 AromaticContact CD2-CD1 3.36Å; H73-Y173 WeakPolarHBondContact CD2-CD1 3.34Å; H73-Y173 AromaticContact CD2-CE1 3.35Å; H73-Y173 WeakPolarHBondContact CD2-CE1 3.45Å; H73-Y173 AromaticContact CG-CD1 3.96Å; H73-Y173 AromaticContact CG-CE1 3.8Å; H73-Y173 AromaticContact NE2-CD1 3.99Å; P74-Y173 HydrophobicContact CG-CG 4.26Å; I160-Y173 WeakPolarHBondContact CA-O 3.2Å; T161-Y173 PolarHBondContact N-O 3Å; T161-Y173 PolarHBondContact O-N 2.91Å; Y173-A175 HydrophobicContact CD1-CB 3.9Å; Y173-A175 VanDerWaalsContact CE1-CA 3.42Å; Y173-A175 HydrophobicContact CE1-CB 3.6Å; Y173-A175 PolarHBondContact O-N 2.87Å; Y173-L217 HydrophobicContact CD2-CB 4.31Å; Y173-L217 HydrophobicContact CD2-CD1 4.33Å |
| 174 | F | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 87.2 | 179.3 | -59 | -67.3 | 0 | 0 | 0 | 109.3 | I160 I177 I188 V207 I212 K213 S214 G215 T216 | I160-F174 HydrophobicContact CD1-CD1 4.01Å; I160-F174 HydrophobicContact CD1-CE1 4.14Å; I160-F174 HydrophobicContact CG1-CD1 4.08Å; I160-F174 HydrophobicContact CG2-CD1 4.15Å; I160-F174 HydrophobicContact CG2-CE1 4.24Å; F174-I177 HydrophobicContact CB-CD1 4.19Å; F174-I177 HydrophobicContact CB-CG1 3.77Å; F174-I177 HydrophobicContact CD1-CD1 3.88Å; F174-I177 HydrophobicContact CD1-CG1 4.25Å; F174-I177 HydrophobicContact CG-CD1 4.41Å; F174-I177 HydrophobicContact CG-CG1 4.29Å; F174-I188 HydrophobicContact CE1-CD1 3.71Å; F174-I188 HydrophobicContact CE1-CG2 4.26Å; F174-I188 HydrophobicContact CZ-CD1 4.41Å; F174-I188 HydrophobicContact CZ-CG2 4.31Å; F174-V207 HydrophobicContact CE2-CG1 4.16Å; F174-V207 HydrophobicContact CZ-CG1 4.05Å; F174-V207 HydrophobicContact CZ-CG2 4.34Å; F174-I212 HydrophobicContact CD1-CG2 4.04Å; F174-I212 HydrophobicContact CE1-CG2 3.89Å; F174-I212 HydrophobicContact CZ-CG1 4.21Å; F174-I212 HydrophobicContact CZ-CG2 4.24Å; F174-K213 WeakPolarHBondContact CB-O 3.37Å; F174-S214 CarbonylContact O-C 3.52Å; F174-S214 WeakPolarHBondContact O-CA 3.44Å; F174-G215 PolarHBondContact O-N 3.5Å; F174-T216 HydrophobicContact CD2-CG2 4.22Å; F174-T216 VanDerWaalsContact CD2-O 3.29Å; F174-T216 WeakPolarHBondContact CD2-O 3.36Å; F174-T216 PolarHBondContact N-O 3.14Å |
| 175 | A | 94.5 | Very high | 88.1 | Confident | 38 Ų | 38 | 47 Ų | 47 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -41.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K159 Y173 | K159-A175 HydrophobicContact CB-CB 3.99Å; K159-A175 PolarHBondContact O-N 2.93Å; Y173-A175 HydrophobicContact CD1-CB 3.9Å; Y173-A175 VanDerWaalsContact CE1-CA 3.42Å; Y173-A175 HydrophobicContact CE1-CB 3.6Å; Y173-A175 PolarHBondContact O-N 2.87Å |
| 176 | N | 92.8 | Very high | 87.6 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 125.6 | 172.5 | -171.6 | 33.7 | 0 | 0 | 0 | 110.3 | T157 A158 K159 | T157-N176 PolarHBondContact O-ND2 3.33Å; A158-N176 CarbonylContact C-O 3.52Å; A158-N176 VanDerWaalsContact CA-O 3.26Å; A158-N176 WeakPolarHBondContact CA-O 2.96Å; K159-N176 HydrophobicContact CB-CB 4.21Å; K159-N176 PolarHBondContact N-O 3.41Å; K159-N176 PolarHBondContact O-N 3.19Å |
| 177 | I | 91.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -127.7 | 105.5 | 173.6 | -56.7 | -65 | 0 | 0 | 0 | 107.6 | I160 F174 S179 I181 Q182 I212 S214 | I160-I177 HydrophobicContact CD1-CD1 4.04Å; I160-I177 HydrophobicContact CG1-CD1 4.06Å; F174-I177 HydrophobicContact CB-CD1 4.19Å; F174-I177 HydrophobicContact CB-CG1 3.77Å; F174-I177 HydrophobicContact CD1-CD1 3.88Å; F174-I177 HydrophobicContact CD1-CG1 4.25Å; F174-I177 HydrophobicContact CG-CD1 4.41Å; F174-I177 HydrophobicContact CG-CG1 4.29Å; I177-S179 PolarHBondContact O-N 3.08Å; I177-I181 HydrophobicContact CG2-CD1 3.96Å; I177-I181 HydrophobicContact CG2-CG1 3.79Å; I177-Q182 HydrophobicContact CG2-CG 3.78Å; I177-Q182 PolarHBondContact O-NE2 2.92Å; I177-I212 HydrophobicContact CD1-CG2 4.18Å; I177-I212 HydrophobicContact CG1-CG2 4.28Å; I177-I212 HydrophobicContact CG2-CG2 4.35Å; I177-S214 PolarHBondContact N-OG 3.28Å | ||
| 178 | P | 89.2 | Confident | 87.8 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | trans | -51.6 | 135 | 178 | -27 | 33.8 | 0 | 0 | 0 | 111.6 | G156 K180 I181 Q182 | G156-P178 VanDerWaalsContact CA-CG 3.48Å; P178-K180 PolarHBondContact O-N 2.74Å; P178-K180 VanDerWaalsContact O-N 3.08Å; P178-I181 HydrophobicContact CB-CG1 4.33Å; P178-I181 WeakPolarHBondContact O-CG1 3.27Å; P178-I181 PolarHBondContact O-N 3.28Å; P178-Q182 PolarHBondContact O-N 3.36Å | ||
| 179 | S | 84.3 | Confident | 88 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 69% | 0.685 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -53.6 | -33.8 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | I177 I181 Q182 | I177-S179 PolarHBondContact O-N 3.08Å; S179-I181 PolarHBondContact O-N 2.74Å; S179-I181 VanDerWaalsContact O-N 3.15Å; S179-Q182 PolarHBondContact O-N 3.3Å |
| 180 | K | 79.6 | Confident | 88.1 | Confident | 115 Ų | 115 | 41.5 Ų | 41.5 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -60.1 | -20.3 | 176.6 | -62.7 | -172.3 | -172.1 | -175.8 | 0 | 114.7 | T154 P178 K184 | T154-K180 HydrophobicContact CG2-CD 3.77Å; T154-K180 PolarHBondContact OG1-NZ 3.11Å; P178-K180 PolarHBondContact O-N 2.74Å; P178-K180 VanDerWaalsContact O-N 3.08Å; K180-K184 WeakPolarHBondContact O-CE 3.47Å; K180-K184 PolarHBondContact O-NZ 3.36Å |
| 181 | I | 80.5 | Confident | 88 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -109.3 | -8.7 | 178.6 | 64.2 | 165.4 | 0 | 0 | 0 | 114.1 | I124 F127 A158 I177 P178 S179 G183 K184 L186 | I124-I181 HydrophobicContact CG2-CD1 3.96Å; F127-I181 HydrophobicContact CD2-CG2 4.47Å; F127-I181 HydrophobicContact CE2-CD1 4.5Å; F127-I181 HydrophobicContact CE2-CG2 3.46Å; F127-I181 VanDerWaalsContact CE2-CG2 3.46Å; F127-I181 HydrophobicContact CZ-CD1 4.25Å; F127-I181 HydrophobicContact CZ-CG2 3.8Å; A158-I181 HydrophobicContact CB-CD1 4.14Å; I177-I181 HydrophobicContact CG2-CD1 3.96Å; I177-I181 HydrophobicContact CG2-CG1 3.79Å; P178-I181 HydrophobicContact CB-CG1 4.33Å; P178-I181 WeakPolarHBondContact O-CG1 3.27Å; P178-I181 PolarHBondContact O-N 3.28Å; S179-I181 PolarHBondContact O-N 2.74Å; S179-I181 VanDerWaalsContact O-N 3.15Å; I181-G183 PolarHBondContact O-N 3.16Å; I181-K184 WeakPolarHBondContact O-CB 3.39Å; I181-K184 PolarHBondContact O-N 3.28Å; I181-L186 HydrophobicContact CB-CD2 4.49Å; I181-L186 HydrophobicContact CD1-CD2 4.4Å; I181-L186 WeakPolarHBondContact O-CD1 3.36Å |
| 182 | Q | 75.2 | Confident | 87.8 | Confident | 86 Ų | 86 | 43 Ų | 43 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 133.1 | 177.6 | -66.2 | -178 | 16.8 | 0 | 0 | 110 | I177 P178 S179 K184 | I177-Q182 HydrophobicContact CG2-CG 3.78Å; I177-Q182 PolarHBondContact O-NE2 2.92Å; P178-Q182 PolarHBondContact O-N 3.36Å; S179-Q182 PolarHBondContact O-N 3.3Å; Q182-K184 PolarHBondContact O-N 3.19Å |
| 183 | G | 67.6 | Low | 87.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | I181 | I181-G183 PolarHBondContact O-N 3.16Š|
| 184 | K | 72.9 | Confident | 87.1 | Confident | 113 Ų | 113 | 46 Ų | 46 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -74.5 | 176.9 | 171.8 | -68.2 | -169.3 | 174.9 | 163.7 | 0 | 111.4 | K180 I181 Q182 L186 | K180-K184 WeakPolarHBondContact O-CE 3.47Å; K180-K184 PolarHBondContact O-NZ 3.36Å; I181-K184 WeakPolarHBondContact O-CB 3.39Å; I181-K184 PolarHBondContact O-N 3.28Å; Q182-K184 PolarHBondContact O-N 3.19Å; K184-L186 PolarHBondContact O-N 2.94Å |
| 185 | N | 74 | Confident | 86.7 | Confident | 145 Ų | 145 | 52.2 Ų | 52.2 | 78% | 0.775 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -65.9 | 48.3 | 176.4 | -68.3 | -25.8 | 0 | 0 | 0 | 113.4 | Q187 | N185-Q187 PolarHBondContact O-N 3.49Š|
| 186 | L | 86.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | trans | -68.6 | 124.7 | 172.9 | -59.6 | 179.4 | 0 | 0 | 0 | 108.4 | I124 I181 K184 I212 | I124-L186 HydrophobicContact CB-CD2 4.31Å; I124-L186 HydrophobicContact CG1-CD2 4.31Å; I124-L186 HydrophobicContact CG2-CD2 3.82Å; I181-L186 HydrophobicContact CB-CD2 4.49Å; I181-L186 HydrophobicContact CD1-CD2 4.4Å; I181-L186 WeakPolarHBondContact O-CD1 3.36Å; K184-L186 PolarHBondContact O-N 2.94Å; L186-I212 HydrophobicContact CB-CD1 3.75Å; L186-I212 HydrophobicContact CD1-CB 4.06Å; L186-I212 HydrophobicContact CD1-CD1 4.1Å; L186-I212 HydrophobicContact CD1-CG2 3.56Å | ||
| 187 | Q | 90 | Very high | 86 | Confident | 89 Ų | 89 | 57.1 Ų | 57.1 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 96.7 | 176 | -65.9 | -171.1 | 21.1 | 0 | 0 | 108.4 | F121 N123 N185 | F121-Q187 HydrophobicContact CD2-CB 4.48Å; F121-Q187 VanDerWaalsContact CD2-O 3.31Å; F121-Q187 WeakPolarHBondContact CD2-O 3.45Å; F121-Q187 HydrophobicContact CE2-CB 4.18Å; N123-Q187 HydrophobicContact CB-CB 4.2Å; N123-Q187 PolarHBondContact N-O 3.17Å; N123-Q187 PolarHBondContact O-N 2.62Å; N123-Q187 VanDerWaalsContact O-N 3.09Å; N185-Q187 PolarHBondContact O-N 3.49Å |
| 188 | I | 94.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.2 | 179.6 | -55.5 | -178.2 | 0 | 0 | 0 | 108.1 | F121 I122 I160 L172 F174 N206 V207 I212 | F121-I188 WeakPolarHBondContact O-CA 3.32Å; I122-I188 HydrophobicContact CG1-CG2 4.21Å; I122-I188 HydrophobicContact CG2-CD1 4.26Å; I122-I188 HydrophobicContact CG2-CG1 4.25Å; I160-I188 HydrophobicContact CD1-CD1 3.83Å; L172-I188 HydrophobicContact CD1-CG2 3.8Å; F174-I188 HydrophobicContact CE1-CD1 3.71Å; F174-I188 HydrophobicContact CE1-CG2 4.26Å; F174-I188 HydrophobicContact CZ-CD1 4.41Å; F174-I188 HydrophobicContact CZ-CG2 4.31Å; I188-N206 CarbonylContact O-C 3.51Å; I188-N206 WeakPolarHBondContact O-CA 3.19Å; I188-V207 HydrophobicContact CB-CB 4.48Å; I188-V207 HydrophobicContact CB-CG2 4.34Å; I188-V207 HydrophobicContact CG2-CG2 4.06Å; I188-V207 PolarHBondContact O-N 3.47Å; I188-I212 HydrophobicContact CB-CD1 4.49Å; I188-I212 HydrophobicContact CD1-CD1 4.15Å; I188-I212 HydrophobicContact CD1-CG2 4.11Å; I188-I212 HydrophobicContact CG1-CD1 4.41Å |
| 189 | G | 95.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -163.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I120 F121 L205 | I120-G189 WeakPolarHBondContact CA-O 3.17Å; F121-G189 WeakPolarHBondContact CD1-O 3.39Å; F121-G189 PolarHBondContact N-O 3.3Å; F121-G189 PolarHBondContact O-N 3.07Å; G189-L205 CarbonylContact C-O 3.58Å; G189-L205 WeakPolarHBondContact CA-O 3.42Å |
| 190 | I | 96.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.1 | 176.1 | 65.7 | 171.7 | 0 | 0 | 0 | 110.7 | Y63 Y98 I120 I170 L205 Y220 | Y63-I190 HydrophobicContact CD1-CD1 4.19Å; Y63-I190 HydrophobicContact CD2-CD1 4.05Å; Y63-I190 HydrophobicContact CE1-CD1 4.19Å; Y63-I190 HydrophobicContact CE2-CD1 4.07Å; Y63-I190 HydrophobicContact CG-CD1 4.12Å; Y98-I190 HydrophobicContact CE2-CD1 4.3Å; I120-I190 HydrophobicContact CB-CG2 4.38Å; I120-I190 HydrophobicContact CG1-CG2 3.69Å; I120-I190 HydrophobicContact CG2-CG2 4.45Å; I170-I190 HydrophobicContact CD1-CG2 4.49Å; I190-L205 HydrophobicContact CD1-CD1 3.8Å; I190-L205 HydrophobicContact CG1-CB 3.76Å; I190-L205 HydrophobicContact CG1-CD1 3.86Å; I190-L205 HydrophobicContact CG1-CG 4.3Å; I190-L205 PolarHBondContact N-O 2.81Å; I190-L205 PolarHBondContact O-N 3.48Å; I190-Y220 HydrophobicContact CD1-CD1 3.9Å; I190-Y220 HydrophobicContact CD1-CD2 4.22Å; I190-Y220 HydrophobicContact CD1-CE1 4.33Å; I190-Y220 HydrophobicContact CD1-CG 3.83Å; I190-Y220 HydrophobicContact CG1-CD1 4.31Å; I190-Y220 HydrophobicContact CG1-CE1 4.24Å; I190-Y220 HydrophobicContact CG1-CE2 4.45Å; I190-Y220 HydrophobicContact CG1-CG 4.44Å; I190-Y220 HydrophobicContact CG2-CD2 4.08Å; I190-Y220 HydrophobicContact CG2-CE2 4.02Å |
| 191 | I | 95.2 | Very high | 86.2 | Confident | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.7 | 176.2 | -171.8 | 171.4 | 0 | 0 | 0 | 109.7 | Y97 G118 Q119 F121 P203 R204 | Y97-I191 PolarHBondContact OH-N 2.89Å; Y97-I191 PolarHBondContact OH-O 2.91Å; G118-I191 CarbonylContact C-O 3.54Å; G118-I191 WeakPolarHBondContact CA-O 3.37Å; Q119-I191 HydrophobicContact CG-CG2 3.41Å; Q119-I191 VanDerWaalsContact CG-CG2 3.41Å; Q119-I191 PolarHBondContact N-O 3.08Å; Q119-I191 PolarHBondContact O-N 3.07Å; F121-I191 HydrophobicContact CD1-CB 4.37Å; F121-I191 HydrophobicContact CD1-CG2 3.97Å; F121-I191 HydrophobicContact CE1-CB 4.05Å; F121-I191 HydrophobicContact CE1-CG2 4.16Å; I191-P203 WeakPolarHBondContact CA-O 3.48Å; I191-R204 HydrophobicContact CB-CG 4.42Å; I191-R204 HydrophobicContact CD1-CB 4.39Å; I191-R204 HydrophobicContact CG1-CB 4.23Å |
| 192 | G | 93.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 168.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y98 V117 S202 P203 | Y98-G192 VanDerWaalsContact CE2-CA 3.49Å; V117-G192 CarbonylContact O-C 3.54Å; V117-G192 WeakPolarHBondContact O-CA 3.31Å; G192-S202 WeakPolarHBondContact O-CA 3.28Å; G192-P203 PolarHBondContact N-O 2.9Å |
| 193 | Q | 91.4 | Very high | 87.4 | Confident | 64 Ų | 64 | 57 Ų | 57 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | -129.2 | 115.3 | 168.7 | -65.2 | -179 | 3.4 | 0 | 0 | 108.9 | V117 Y195 V200 | V117-Q193 PolarHBondContact O-N 3.43Å; Q193-Y195 HydrophobicContact CB-CE2 4.35Å; Q193-Y195 PolarHBondContact OE1-OH 2.95Å; Q193-V200 HydrophobicContact CB-CG1 4.08Å; Q193-V200 HydrophobicContact CG-CG1 4.47Å | ||
| 194 | I | 87.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.7 | 179.3 | -59.9 | 177.5 | 0 | 0 | 0 | 107.7 | I36 Y61 C196 V200 K201 P203 | I36-I194 HydrophobicContact CD1-CD1 4.12Å; I36-I194 HydrophobicContact CG2-CB 4.49Å; I36-I194 HydrophobicContact CG2-CD1 3.9Å; I36-I194 HydrophobicContact CG2-CG2 3.94Å; Y61-I194 HydrophobicContact CE1-CD1 4.11Å; I194-C196 PolarHBondContact O-N 3.21Å; I194-V200 CarbonylContact O-C 3.57Å; I194-V200 WeakPolarHBondContact O-CA 3.49Å; I194-K201 HydrophobicContact CB-CB 4.4Å; I194-K201 PolarHBondContact N-O 3.48Å; I194-K201 PolarHBondContact O-N 3.35Å; I194-P203 HydrophobicContact CD1-CG 3.89Å; I194-P203 HydrophobicContact CG1-CG 4.33Å |
| 195 | Y | 87.1 | Confident | 89.5 | Confident | 129 Ų | 129 | 53.6 Ų | 53.6 | 51% | 0.506 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.2 | -177.2 | -65 | -92.6 | 0 | 0 | 0 | 110.2 | Q193 V200 | Q193-Y195 HydrophobicContact CB-CE2 4.35Å; Q193-Y195 PolarHBondContact OE1-OH 2.95Å; Y195-V200 HydrophobicContact CD1-CG2 3.64Å; Y195-V200 HydrophobicContact CE1-CG2 3.72Å |
| 196 | C | 87.5 | Confident | 90.4 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 163.4 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | C37 I194 T198 G199 K201 | C37-C196 WeakPolarHBondContact CA-SG 3.36Å; C37-C196 HydrophobicContact CB-CB 3.58Å; C37-C196 WeakPolarHBondContact CB-SG 3.45Å; C37-C196 WeakPolarHBondContact SG-CA 3.44Å; C37-C196 WeakPolarHBondContact SG-CB 3.4Å; C37-C196 CovalentContact SG-SG 2.01Å; C37-C196 PolarHBondContact SG-SG 3.4Å; I194-C196 PolarHBondContact O-N 3.21Å; C196-T198 PolarHBondContact O-N 2.92Å; C196-G199 CarbonylContact C-O 3.43Å; C196-G199 VanDerWaalsContact CA-O 3.31Å; C196-G199 WeakPolarHBondContact CA-O 3.46Å; C196-G199 WeakPolarHBondContact CB-O 3.39Å; C196-G199 PolarHBondContact N-O 2.91Å; C196-G199 PolarHBondContact O-N 3Å; C196-G199 VanDerWaalsContact O-O 3.13Å; C196-K201 WeakPolarHBondContact SG-CG 3.46Å |
| 197 | K | 86.3 | Confident | 90.7 | Very high | 187 Ų | 187 | 49.7 Ų | 49.7 | 81% | 0.813 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.6 | 170.8 | -66.5 | 169.8 | -174 | 144.7 | 0 | 112.1 | E34 | E34-K197 IonicContact OE1-NZ 2.98Å; E34-K197 PolarHBondContact OE1-NZ 3.32Å |
| 198 | T | 84.7 | Confident | 90.8 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 69% | 0.687 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1.4 | -177.4 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | C196 | C196-T198 PolarHBondContact O-N 2.92Š|
| 199 | G | 86.3 | Confident | 90.6 | Very high | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.5 | -168.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C196 | C196-G199 CarbonylContact C-O 3.43Å; C196-G199 VanDerWaalsContact CA-O 3.31Å; C196-G199 WeakPolarHBondContact CA-O 3.46Å; C196-G199 WeakPolarHBondContact CB-O 3.39Å; C196-G199 PolarHBondContact N-O 2.91Å; C196-G199 PolarHBondContact O-N 3Å; C196-G199 VanDerWaalsContact O-O 3.13Å |
| 200 | V | 87.8 | Confident | 90.4 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.3 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | Q193 I194 Y195 | Q193-V200 HydrophobicContact CB-CG1 4.08Å; Q193-V200 HydrophobicContact CG-CG1 4.47Å; I194-V200 CarbonylContact O-C 3.57Å; I194-V200 WeakPolarHBondContact O-CA 3.49Å; Y195-V200 HydrophobicContact CD1-CG2 3.64Å; Y195-V200 HydrophobicContact CE1-CG2 3.72Å |
| 201 | K | 89.2 | Confident | 90.2 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 21% | 0.213 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.7 | 168.5 | -58.4 | -61.5 | -176 | -172.6 | 0 | 108.9 | I36 I194 C196 P203 | I36-K201 HydrophobicContact CD1-CB 4.4Å; I36-K201 HydrophobicContact CG1-CB 4.42Å; I194-K201 HydrophobicContact CB-CB 4.4Å; I194-K201 PolarHBondContact N-O 3.48Å; I194-K201 PolarHBondContact O-N 3.35Å; C196-K201 WeakPolarHBondContact SG-CG 3.46Å; K201-P203 WeakPolarHBondContact O-CD 3.31Å |
| 202 | S | 90.2 | Very high | 90.1 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | trans | -122.4 | 75.7 | -176.4 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | G192 R204 | G192-S202 WeakPolarHBondContact O-CA 3.28Å; S202-R204 PolarHBondContact O-N 3.45Å | ||
| 203 | P | 90.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -57.1 | 125.6 | 176.7 | 25.6 | -35 | 0 | 0 | 0 | 109.6 | I36 Q43 Y98 I191 G192 I194 K201 | I36-P203 HydrophobicContact CD1-CB 4.13Å; I36-P203 HydrophobicContact CD1-CG 4.27Å; Q43-P203 HydrophobicContact CB-CB 4.44Å; Y98-P203 HydrophobicContact CD1-CG 4.02Å; Y98-P203 HydrophobicContact CE1-CB 4.06Å; Y98-P203 HydrophobicContact CE1-CG 3.41Å; Y98-P203 VanDerWaalsContact CE1-CG 3.41Å; Y98-P203 PolarHBondContact OH-O 2.99Å; I191-P203 WeakPolarHBondContact CA-O 3.48Å; G192-P203 PolarHBondContact N-O 2.9Å; I194-P203 HydrophobicContact CD1-CG 3.89Å; I194-P203 HydrophobicContact CG1-CG 4.33Å; K201-P203 WeakPolarHBondContact O-CD 3.31Å | ||
| 204 | R | 91.8 | Very high | 90.3 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.8 | -176.3 | -174.9 | 175 | -178.2 | 140.8 | -4.1 | 109.9 | F121 I191 S202 N206 | F121-R204 HydrophobicContact CE1-CG 4.26Å; F121-R204 HydrophobicContact CZ-CG 4.13Å; F121-R204 VanDerWaalsContact CZ-NE 3.31Å; I191-R204 HydrophobicContact CB-CG 4.42Å; I191-R204 HydrophobicContact CD1-CB 4.39Å; I191-R204 HydrophobicContact CG1-CB 4.23Å; S202-R204 PolarHBondContact O-N 3.45Å; R204-N206 PolarHBondContact NE-OD1 3.33Å |
| 205 | L | 93.4 | Very high | 90.6 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 101.6 | 178.9 | -63.6 | 167.8 | 0 | 0 | 0 | 107.9 | H60 Y63 M65 G189 I190 Y220 | H60-L205 HydrophobicContact CB-CD2 3.46Å; H60-L205 VanDerWaalsContact CB-CD2 3.46Å; H60-L205 WeakPolarHBondContact ND1-CD2 3.33Å; Y63-L205 HydrophobicContact CD2-CD1 3.89Å; Y63-L205 HydrophobicContact CG-CD1 4.08Å; M65-L205 HydrophobicContact CE-CB 4.34Å; G189-L205 CarbonylContact C-O 3.58Å; G189-L205 WeakPolarHBondContact CA-O 3.42Å; I190-L205 HydrophobicContact CD1-CD1 3.8Å; I190-L205 HydrophobicContact CG1-CB 3.76Å; I190-L205 HydrophobicContact CG1-CD1 3.86Å; I190-L205 HydrophobicContact CG1-CG 4.3Å; I190-L205 PolarHBondContact N-O 2.81Å; I190-L205 PolarHBondContact O-N 3.48Å; L205-Y220 HydrophobicContact CB-CE1 3.89Å; L205-Y220 HydrophobicContact CD1-CD1 4.38Å; L205-Y220 HydrophobicContact CD1-CE1 4.4Å; L205-Y220 PolarHBondContact O-OH 3.28Å |
| 206 | N | 93.1 | Very high | 91.1 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 144.6 | 176.5 | -62.2 | -49.1 | 0 | 0 | 0 | 110.1 | M65 F121 I188 R204 P208 | M65-N206 WeakPolarHBondContact CE-O 3.27Å; F121-N206 VanDerWaalsContact CZ-OD1 3.27Å; F121-N206 WeakPolarHBondContact CZ-OD1 3.27Å; I188-N206 CarbonylContact O-C 3.51Å; I188-N206 WeakPolarHBondContact O-CA 3.19Å; R204-N206 PolarHBondContact NE-OD1 3.33Å; N206-P208 WeakPolarHBondContact O-CD 3.38Å |
| 207 | V | 93.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 122.6 | 163.9 | -177 | 0 | 0 | 0 | 0 | 107.6 | L172 F174 I188 A209 W211 I212 M218 | L172-V207 HydrophobicContact CD1-CG2 4.11Å; F174-V207 HydrophobicContact CE2-CG1 4.16Å; F174-V207 HydrophobicContact CZ-CG1 4.05Å; F174-V207 HydrophobicContact CZ-CG2 4.34Å; I188-V207 HydrophobicContact CB-CB 4.48Å; I188-V207 HydrophobicContact CB-CG2 4.34Å; I188-V207 HydrophobicContact CG2-CG2 4.06Å; I188-V207 PolarHBondContact O-N 3.47Å; V207-A209 PolarHBondContact O-N 2.97Å; V207-W211 HydrophobicContact CG1-CB 4.46Å; V207-I212 HydrophobicContact CB-CD1 4.29Å; V207-I212 HydrophobicContact CB-CG1 4.22Å; V207-I212 HydrophobicContact CG1-CD1 4.24Å; V207-I212 HydrophobicContact CG1-CG1 3.63Å; V207-M218 HydrophobicContact CB-CE 4.36Å; V207-M218 HydrophobicContact CG1-CE 4.2Å; V207-M218 HydrophobicContact CG2-CE 3.99Å; V207-M218 HydrophobicContact CG2-CG 4.17Å |
| 208 | P | 91.8 | Very high | 92 | Very high | 36 Ų | 36 | 40 Ų | 40 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 133.3 | 178.9 | -15.8 | 27 | 0 | 0 | 0 | 110.5 | I67 N206 K210 W211 | I67-P208 HydrophobicContact CD1-CG 4.48Å; N206-P208 WeakPolarHBondContact O-CD 3.38Å; P208-K210 PolarHBondContact O-N 3.35Å; P208-W211 WeakPolarHBondContact O-CB 3.26Å; P208-W211 PolarHBondContact O-N 3.36Å |
| 209 | A | 90.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 35 Ų | 35 | 31% | 0.314 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -54.5 | -32.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V207 W211 I212 | V207-A209 PolarHBondContact O-N 2.97Å; A209-W211 PolarHBondContact O-N 2.8Å; A209-W211 VanDerWaalsContact O-N 3.15Å; A209-I212 PolarHBondContact O-N 3.39Å; A209-I212 VanDerWaalsContact O-N 3.13Å |
| 210 | K | 90.8 | Very high | 93 | Very high | 122 Ų | 122 | 33.2 Ų | 33.2 | 53% | 0.53 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -59.8 | -22.4 | 176.8 | 72.2 | 178.4 | -173.7 | 178.4 | 0 | 114.2 | Q51 P208 | Q51-K210 VanDerWaalsContact OE1-NZ 3.1Å; P208-K210 PolarHBondContact O-N 3.35Å |
| 211 | W | 93 | Very high | 93.2 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -97.5 | -6.8 | -178.8 | -61.7 | 115.8 | 0 | 0 | 0 | 113.2 | Q51 N52 D53 Q56 I67 C69 V207 P208 A209 K213 T216 | Q51-W211 HydrophobicContact CG-CZ2 4.1Å; N52-W211 VanDerWaalsContact O-CH2 3.31Å; N52-W211 WeakPolarHBondContact O-CH2 3.46Å; D53-W211 WeakPolarHBondContact O-CZ3 3.27Å; Q56-W211 HydrophobicContact CB-CH2 4.33Å; Q56-W211 HydrophobicContact CB-CZ2 3.68Å; I67-W211 HydrophobicContact CB-CD2 4.42Å; I67-W211 HydrophobicContact CD1-CB 4.11Å; I67-W211 HydrophobicContact CD1-CD2 4.05Å; I67-W211 HydrophobicContact CD1-CG 3.59Å; I67-W211 HydrophobicContact CG2-CB 3.92Å; I67-W211 HydrophobicContact CG2-CD2 3.68Å; I67-W211 HydrophobicContact CG2-CE3 3.63Å; I67-W211 HydrophobicContact CG2-CG 3.83Å; I67-W211 HydrophobicContact CG2-CZ3 4.32Å; C69-W211 VanDerWaalsContact SG-CE3 3.58Å; C69-W211 VanDerWaalsContact SG-CZ3 3.6Å; V207-W211 HydrophobicContact CG1-CB 4.46Å; P208-W211 WeakPolarHBondContact O-CB 3.26Å; P208-W211 PolarHBondContact O-N 3.36Å; A209-W211 PolarHBondContact O-N 2.8Å; A209-W211 VanDerWaalsContact O-N 3.15Å; W211-K213 VanDerWaalsContact C-N 3.28Å; W211-K213 PolarHBondContact O-N 3.18Å; W211-T216 WeakPolarHBondContact O-CB 3.39Å; W211-T216 VanDerWaalsContact O-CG2 3.25Å; W211-T216 WeakPolarHBondContact O-CG2 3.09Å; W211-T216 PolarHBondContact O-OG1 3.17Å |
| 212 | I | 93 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | -84.5 | 78 | -179.7 | -52.7 | 171.8 | 0 | 0 | 0 | 108.6 | F174 I177 L186 I188 V207 A209 | F174-I212 HydrophobicContact CD1-CG2 4.04Å; F174-I212 HydrophobicContact CE1-CG2 3.89Å; F174-I212 HydrophobicContact CZ-CG1 4.21Å; F174-I212 HydrophobicContact CZ-CG2 4.24Å; I177-I212 HydrophobicContact CD1-CG2 4.18Å; I177-I212 HydrophobicContact CG1-CG2 4.28Å; I177-I212 HydrophobicContact CG2-CG2 4.35Å; L186-I212 HydrophobicContact CB-CD1 3.75Å; L186-I212 HydrophobicContact CD1-CB 4.06Å; L186-I212 HydrophobicContact CD1-CD1 4.1Å; L186-I212 HydrophobicContact CD1-CG2 3.56Å; I188-I212 HydrophobicContact CB-CD1 4.49Å; I188-I212 HydrophobicContact CD1-CD1 4.15Å; I188-I212 HydrophobicContact CD1-CG2 4.11Å; I188-I212 HydrophobicContact CG1-CD1 4.41Å; V207-I212 HydrophobicContact CB-CD1 4.29Å; V207-I212 HydrophobicContact CB-CG1 4.22Å; V207-I212 HydrophobicContact CG1-CD1 4.24Å; V207-I212 HydrophobicContact CG1-CG1 3.63Å; A209-I212 PolarHBondContact O-N 3.39Å; A209-I212 VanDerWaalsContact O-N 3.13Å | ||
| 213 | K | 93.2 | Very high | 93 | Very high | 65 Ų | 65 | 29.2 Ų | 29.2 | 28% | 0.283 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -135.8 | 156.8 | 175.7 | 63.5 | 179.3 | 178.6 | 175.2 | 0 | 110.4 | C69 F174 W211 T216 | C69-K213 WeakPolarHBondContact SG-CE 3.48Å; F174-K213 WeakPolarHBondContact CB-O 3.37Å; W211-K213 VanDerWaalsContact C-N 3.28Å; W211-K213 PolarHBondContact O-N 3.18Å; K213-T216 VanDerWaalsContact CG-OG1 3.27Å; K213-T216 WeakPolarHBondContact CG-OG1 3.25Å; K213-T216 WeakPolarHBondContact O-CB 3.44Å; K213-T216 PolarHBondContact O-N 2.79Å; K213-T216 PolarHBondContact O-OG1 3.34Å |
| 214 | S | 94.7 | Very high | 92.3 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 142 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | F174 I177 T216 | F174-S214 CarbonylContact O-C 3.52Å; F174-S214 WeakPolarHBondContact O-CA 3.44Å; I177-S214 PolarHBondContact N-OG 3.28Å; S214-T216 VanDerWaalsContact C-N 3.27Å; S214-T216 PolarHBondContact O-N 2.69Å |
| 215 | G | 95.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D70 Q71 F174 | D70-G215 PolarHBondContact N-O 2.96Å; D70-G215 VanDerWaalsContact N-O 3.07Å; Q71-G215 PolarHBondContact N-O 3.02Å; F174-G215 PolarHBondContact O-N 3.5Å |
| 216 | T | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.1 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | I67 R68 F174 W211 K213 S214 | I67-T216 HydrophobicContact CG2-CG2 3.63Å; R68-T216 CarbonylContact O-C 3.59Å; R68-T216 WeakPolarHBondContact O-CA 3.02Å; F174-T216 HydrophobicContact CD2-CG2 4.22Å; F174-T216 VanDerWaalsContact CD2-O 3.29Å; F174-T216 WeakPolarHBondContact CD2-O 3.36Å; F174-T216 PolarHBondContact N-O 3.14Å; W211-T216 WeakPolarHBondContact O-CB 3.39Å; W211-T216 VanDerWaalsContact O-CG2 3.25Å; W211-T216 WeakPolarHBondContact O-CG2 3.09Å; W211-T216 PolarHBondContact O-OG1 3.17Å; K213-T216 VanDerWaalsContact CG-OG1 3.27Å; K213-T216 WeakPolarHBondContact CG-OG1 3.25Å; K213-T216 WeakPolarHBondContact O-CB 3.44Å; K213-T216 PolarHBondContact O-N 2.79Å; K213-T216 PolarHBondContact O-OG1 3.34Å; S214-T216 VanDerWaalsContact C-N 3.27Å; S214-T216 PolarHBondContact O-N 2.69Å |
| 217 | L | 97.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.5 | 171.7 | -178.5 | 64.6 | 0 | 0 | 0 | 109.5 | I67 R68 Q71 P74 Y173 E219 | I67-L217 WeakPolarHBondContact CA-O 3.18Å; R68-L217 PolarHBondContact N-O 2.83Å; R68-L217 PolarHBondContact O-N 3.38Å; Q71-L217 HydrophobicContact CB-CB 3.99Å; Q71-L217 HydrophobicContact CG-CB 3.76Å; Q71-L217 HydrophobicContact CG-CD2 4.42Å; P74-L217 HydrophobicContact CG-CD1 4.32Å; Y173-L217 HydrophobicContact CD2-CB 4.31Å; Y173-L217 HydrophobicContact CD2-CD1 4.33Å; L217-E219 HydrophobicContact CD2-CG 4.4Å; L217-E219 HydrophobicContact CG-CG 4.19Å |
| 218 | M | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.4 | 173 | 167.9 | 63 | 111.4 | 0 | 0 | 109.5 | M65 R66 I67 S171 L172 V207 Y220 | M65-M218 HydrophobicContact CE-CE 3.72Å; M65-M218 HydrophobicContact CG-CE 3.14Å; M65-M218 HydrophobicContact CG-SD 3.34Å; M65-M218 WeakPolarHBondContact CG-SD 3.07Å; M65-M218 HydrophobicContact SD-CE 3.3Å; M65-M218 WeakPolarHBondContact SD-CE 3.06Å; M65-M218 HydrophobicContact SD-SD 4.31Å; R66-M218 CarbonylContact O-C 3.48Å; R66-M218 WeakPolarHBondContact O-CA 3.27Å; R66-M218 VanDerWaalsContact O-SD 3.33Å; I67-M218 HydrophobicContact CD1-CE 3.66Å; I67-M218 HydrophobicContact CD1-SD 4.26Å; I67-M218 HydrophobicContact CG1-CE 3.54Å; I67-M218 HydrophobicContact CG1-SD 3.44Å; I67-M218 WeakPolarHBondContact CG1-SD 3.31Å; S171-M218 CarbonylContact C-O 3.51Å; S171-M218 WeakPolarHBondContact CA-O 3.37Å; L172-M218 HydrophobicContact CB-CB 4.27Å; L172-M218 PolarHBondContact N-O 3.2Å; L172-M218 PolarHBondContact O-N 3.12Å; V207-M218 HydrophobicContact CB-CE 4.36Å; V207-M218 HydrophobicContact CG1-CE 4.2Å; V207-M218 HydrophobicContact CG2-CE 3.99Å; V207-M218 HydrophobicContact CG2-CG 4.17Å; M218-Y220 HydrophobicContact CE-CE1 4.43Å; M218-Y220 HydrophobicContact CG-CD2 4.5Å; M218-Y220 HydrophobicContact CG-CE2 3.95Å |
| 219 | E | 96.6 | Very high | 89.2 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.2 | 179.5 | -61.7 | 175.1 | 109.4 | 0 | 0 | 110.8 | M65 R66 R68 K169 I170 L217 | M65-E219 CarbonylContact C-O 3.52Å; M65-E219 WeakPolarHBondContact CA-O 3.11Å; R66-E219 HydrophobicContact CB-CB 4.39Å; R66-E219 PolarHBondContact N-O 2.99Å; R66-E219 PolarHBondContact O-N 3.16Å; R68-E219 IonicContact CZ-OE2 3.53Å; R68-E219 IonicContact NE-OE2 3.51Å; R68-E219 VanDerWaalsContact NH2-CD 3.3Å; R68-E219 IonicContact NH2-OE1 3.41Å; R68-E219 PolarHBondContact NH2-OE1 2.76Å; R68-E219 IonicContact NH2-OE2 2.73Å; R68-E219 PolarHBondContact NH2-OE2 2.93Å; K169-E219 HydrophobicContact CD-CB 4.45Å; K169-E219 IonicContact NZ-OE1 2.82Å; K169-E219 PolarHBondContact NZ-OE1 3.49Å; I170-E219 CarbonylContact O-C 3.52Å; I170-E219 WeakPolarHBondContact O-CA 3.26Å; L217-E219 HydrophobicContact CD2-CG 4.4Å; L217-E219 HydrophobicContact CG-CG 4.19Å |
| 220 | Y | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.8 | 168.9 | -61 | -77.6 | 0 | 0 | 0 | 109.6 | S64 M65 K169 I170 L172 I190 L205 M218 | S64-Y220 WeakPolarHBondContact O-CA 3.48Å; M65-Y220 HydrophobicContact CB-CD1 4.37Å; M65-Y220 HydrophobicContact CB-CE1 4.37Å; M65-Y220 HydrophobicContact CE-CE1 3.54Å; M65-Y220 HydrophobicContact CG-CD1 4.47Å; M65-Y220 HydrophobicContact CG-CE1 4.1Å; K169-Y220 WeakPolarHBondContact CA-O 3.45Å; I170-Y220 HydrophobicContact CB-CD2 4.45Å; I170-Y220 HydrophobicContact CG2-CD2 4.41Å; I170-Y220 PolarHBondContact N-O 3.35Å; I170-Y220 PolarHBondContact O-N 3.05Å; L172-Y220 HydrophobicContact CD1-CE2 4.1Å; I190-Y220 HydrophobicContact CD1-CD1 3.9Å; I190-Y220 HydrophobicContact CD1-CD2 4.22Å; I190-Y220 HydrophobicContact CD1-CE1 4.33Å; I190-Y220 HydrophobicContact CD1-CG 3.83Å; I190-Y220 HydrophobicContact CG1-CD1 4.31Å; I190-Y220 HydrophobicContact CG1-CE1 4.24Å; I190-Y220 HydrophobicContact CG1-CE2 4.45Å; I190-Y220 HydrophobicContact CG1-CG 4.44Å; I190-Y220 HydrophobicContact CG2-CD2 4.08Å; I190-Y220 HydrophobicContact CG2-CE2 4.02Å; L205-Y220 HydrophobicContact CB-CE1 3.89Å; L205-Y220 HydrophobicContact CD1-CD1 4.38Å; L205-Y220 HydrophobicContact CD1-CE1 4.4Å; L205-Y220 PolarHBondContact O-OH 3.28Å; M218-Y220 HydrophobicContact CE-CE1 4.43Å; M218-Y220 HydrophobicContact CG-CD2 4.5Å; M218-Y220 HydrophobicContact CG-CE2 3.95Å |
| 221 | E | 92.5 | Very high | 88.6 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.5 | 175 | -71.1 | 179.8 | -158.3 | 0 | 0 | 110.2 | Y63 S64 R66 K169 I223 K267 | Y63-E221 CarbonylContact C-O 3.48Å; Y63-E221 WeakPolarHBondContact CA-O 2.97Å; S64-E221 PolarHBondContact N-O 3.22Å; S64-E221 PolarHBondContact O-N 3.24Å; S64-E221 PolarHBondContact OG-O 3.04Å; R66-E221 IonicContact NH1-OE1 3.52Å; K169-E221 HydrophobicContact CB-CG 4.2Å; K169-E221 HydrophobicContact CD-CG 3.67Å; K169-E221 WeakPolarHBondContact CD-OE1 3.43Å; K169-E221 HydrophobicContact CG-CG 3.71Å; E221-I223 PolarHBondContact O-N 3.45Å; E221-K267 WeakPolarHBondContact OE2-CE 3.45Å; E221-K267 IonicContact OE2-NZ 3.6Å; E221-K267 PolarHBondContact OE2-NZ 3.36Å |
| 222 | V | 89.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 36.4 Ų | 36.4 | 33% | 0.333 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | N62 Y63 G224 | N62-V222 WeakPolarHBondContact O-CA 3.48Å; Y63-V222 HydrophobicContact CD1-CG2 4.2Å; Y63-V222 HydrophobicContact CE1-CG2 3.57Å; V222-G224 PolarHBondContact O-N 3.28Å |
| 223 | I | 84.5 | Confident | 88.1 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | trans | -81.8 | 110.3 | 173.1 | -60.9 | 168.9 | 0 | 0 | 0 | 107.9 | L59 N62 Y63 E221 I256 | L59-I223 HydrophobicContact CB-CD1 4.26Å; L59-I223 HydrophobicContact CD2-CD1 3.83Å; N62-I223 PolarHBondContact O-N 3.5Å; Y63-I223 WeakPolarHBondContact O-CD1 3.11Å; E221-I223 PolarHBondContact O-N 3.45Å; I223-I256 HydrophobicContact CG2-CB 4.48Å; I223-I256 HydrophobicContact CG2-CG2 4.36Å | ||
| 224 | G | 77.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | -59.4 | 137.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V222 | V222-G224 PolarHBondContact O-N 3.28Š| ||
| 225 | T | 74.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 41.1 Ų | 41.1 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -83 | -23.8 | -172.7 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | Y28 K32 C227 S228 | Y28-T225 WeakPolarHBondContact CE1-OG1 3.09Å; Y28-T225 PolarHBondContact OH-O 3.44Å; K32-T225 HydrophobicContact CD-CG2 3.69Å; T225-C227 PolarHBondContact O-N 3.48Å; T225-S228 WeakPolarHBondContact O-CB 3.27Å; T225-S228 PolarHBondContact O-N 3.44Å; T225-S228 PolarHBondContact O-OG 3.32Å |
| 226 | M | 75.8 | Confident | 87.2 | Confident | 85 Ų | 85 | 40.6 Ų | 40.6 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.5 | -172.9 | -70.7 | -67.2 | 159.7 | 0 | 0 | 113.7 | L25 K229 M244 | L25-M226 HydrophobicContact CD2-CE 4.03Å; M226-K229 WeakPolarHBondContact O-CE 3.47Å; M226-K229 WeakPolarHBondContact O-CG 3.42Å; M226-M244 HydrophobicContact CB-CE 3.54Å; M226-M244 HydrophobicContact CB-SD 3.74Å; M226-M244 HydrophobicContact CG-CE 4.5Å; M226-M244 HydrophobicContact CG-SD 4.37Å |
| 227 | C | 83.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -23.8 | 178.4 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | T225 K229 Y230 M244 C246 C255 A257 | T225-C227 PolarHBondContact O-N 3.48Å; C227-K229 PolarHBondContact O-N 3.31Å; C227-Y230 WeakPolarHBondContact O-CB 3.5Å; C227-Y230 WeakPolarHBondContact O-CD2 3.46Å; C227-Y230 PolarHBondContact O-N 2.98Å; C227-M244 WeakPolarHBondContact SG-CE 3.23Å; C227-C246 VanDerWaalsContact CA-SG 3.55Å; C227-C246 HydrophobicContact CB-CB 3.87Å; C227-C246 WeakPolarHBondContact CB-SG 3.38Å; C227-C246 WeakPolarHBondContact SG-CA 3.35Å; C227-C246 WeakPolarHBondContact SG-CB 2.92Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 3.17Å; C227-C255 HydrophobicContact CB-CB 4.42Å; C227-C255 VanDerWaalsContact O-CB 3.3Å; C227-C255 WeakPolarHBondContact O-CB 3.4Å; C227-C255 PolarHBondContact O-SG 3.24Å; C227-A257 HydrophobicContact CB-CB 4.25Å; C227-A257 WeakPolarHBondContact SG-CA 3.28Å |
| 228 | S | 81.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 42% | 0.42 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.5 | -173 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | T225 Y230 | T225-S228 WeakPolarHBondContact O-CB 3.27Å; T225-S228 PolarHBondContact O-N 3.44Å; T225-S228 PolarHBondContact O-OG 3.32Å; S228-Y230 VanDerWaalsContact C-N 3.26Å; S228-Y230 PolarHBondContact O-N 3.07Å |
| 229 | K | 82 | Confident | 84.6 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.1 | 172.7 | 70.8 | -171.8 | -178.4 | 177.6 | 0 | 113.4 | M226 C227 | M226-K229 WeakPolarHBondContact O-CE 3.47Å; M226-K229 WeakPolarHBondContact O-CG 3.42Å; C227-K229 PolarHBondContact O-N 3.31Å |
| 230 | Y | 83.5 | Confident | 83.5 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | trans | -86.9 | 115.2 | -178.4 | -60.1 | -59.8 | 0 | 0 | 0 | 110.1 | C227 S228 S235 E239 C255 | C227-Y230 WeakPolarHBondContact O-CB 3.5Å; C227-Y230 WeakPolarHBondContact O-CD2 3.46Å; C227-Y230 PolarHBondContact O-N 2.98Å; S228-Y230 VanDerWaalsContact C-N 3.26Å; S228-Y230 PolarHBondContact O-N 3.07Å; Y230-S235 WeakPolarHBondContact CB-OG 3.46Å; Y230-S235 WeakPolarHBondContact CD1-O 3.14Å; Y230-E239 HydrophobicContact CE2-CB 3.65Å; Y230-E239 HydrophobicContact CE2-CG 3.92Å; Y230-E239 VanDerWaalsContact OH-CD 3.22Å; Y230-E239 VanDerWaalsContact OH-CG 3.27Å; Y230-E239 WeakPolarHBondContact OH-CG 3.24Å; Y230-E239 PolarHBondContact OH-OE2 3.46Å; Y230-C255 WeakPolarHBondContact O-CB 3.39Å | ||
| 231 | T | 85.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | trans | -100.8 | 1.1 | -176.5 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | W248 | T231-W248 VanDerWaalsContact O-CH2 3.27Å; T231-W248 WeakPolarHBondContact O-CH2 3.42Å | ||
| 232 | T | 87.2 | Confident | 81.2 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -129.6 | 146.7 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | E234 S235 C236 | T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.91Å; T232-S235 PolarHBondContact N-OG 2.85Å; T232-S235 PolarHBondContact O-N 3.23Å; T232-S235 PolarHBondContact O-OG 2.92Å; T232-S235 VanDerWaalsContact OG1-CB 3.3Å; T232-S235 WeakPolarHBondContact OG1-CB 2.95Å; T232-S235 PolarHBondContact OG1-N 3.35Å; T232-S235 PolarHBondContact OG1-OG 3.4Å; T232-C236 WeakPolarHBondContact O-CB 3.47Å; T232-C236 PolarHBondContact O-N 2.78Å |
| 233 | T | 88.3 | Confident | 80.4 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -51.2 | -47.3 | 177.4 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | S235 C236 Q237 W248 | T233-S235 PolarHBondContact O-N 2.79Å; T233-C236 WeakPolarHBondContact O-CB 3.45Å; T233-C236 PolarHBondContact O-N 2.78Å; T233-Q237 HydrophobicContact CG2-CG 4.44Å; T233-Q237 WeakPolarHBondContact O-CB 3.31Å; T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 2.9Å; T233-W248 HydrophobicContact CG2-CB 4.1Å; T233-W248 HydrophobicContact CG2-CD2 4.47Å; T233-W248 HydrophobicContact CG2-CG 3.84Å; T233-W248 VanDerWaalsContact OG1-CE2 3.24Å; T233-W248 PolarHBondContact OG1-NE1 3.15Å |
| 234 | E | 87.5 | Confident | 80.1 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.5 | -46.8 | 180 | -68.4 | -171.4 | -155.3 | 0 | 0 | 112.8 | T232 C236 Q237 K238 | T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.91Å; E234-C236 VanDerWaalsContact C-N 3.28Å; E234-C236 PolarHBondContact O-N 2.71Å; E234-Q237 PolarHBondContact O-N 2.87Å; E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 WeakPolarHBondContact O-CD 3.42Å; E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 VanDerWaalsContact O-N 3.13Å; E234-K238 IonicContact OE2-NZ 2.99Å; E234-K238 PolarHBondContact OE2-NZ 3.29Å |
| 235 | S | 88.6 | Confident | 80.4 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -33.8 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 112 | Y230 T232 T233 | Y230-S235 WeakPolarHBondContact CB-OG 3.46Å; Y230-S235 WeakPolarHBondContact CD1-O 3.14Å; T232-S235 PolarHBondContact N-OG 2.85Å; T232-S235 PolarHBondContact O-N 3.23Å; T232-S235 PolarHBondContact O-OG 2.92Å; T232-S235 VanDerWaalsContact OG1-CB 3.3Å; T232-S235 WeakPolarHBondContact OG1-CB 2.95Å; T232-S235 PolarHBondContact OG1-N 3.35Å; T232-S235 PolarHBondContact OG1-OG 3.4Å; T233-S235 PolarHBondContact O-N 2.79Å |
| 236 | C | 88.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -50.3 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | T232 T233 E234 K238 E239 C246 I247 W248 C255 | T232-C236 WeakPolarHBondContact O-CB 3.47Å; T232-C236 PolarHBondContact O-N 2.78Å; T233-C236 WeakPolarHBondContact O-CB 3.45Å; T233-C236 PolarHBondContact O-N 2.78Å; E234-C236 VanDerWaalsContact C-N 3.28Å; E234-C236 PolarHBondContact O-N 2.71Å; C236-K238 PolarHBondContact O-N 2.84Å; C236-E239 PolarHBondContact O-N 2.95Å; C236-C246 WeakPolarHBondContact O-CB 3.29Å; C236-I247 PolarHBondContact SG-O 2.94Å; C236-W248 HydrophobicContact CB-CB 4.32Å; C236-W248 HydrophobicContact CB-CE3 3.78Å; C236-W248 PolarHBondContact SG-N 2.97Å; C236-C255 VanDerWaalsContact CA-SG 3.5Å; C236-C255 HydrophobicContact CB-CB 3.68Å; C236-C255 WeakPolarHBondContact CB-SG 3.43Å; C236-C255 WeakPolarHBondContact SG-CB 3.34Å; C236-C255 CovalentContact SG-SG 2.01Å; C236-C255 PolarHBondContact SG-SG 3.44Å |
| 237 | Q | 84.1 | Confident | 81.6 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.8 | -24.3 | -174.5 | -70.7 | 175.9 | -21.2 | 0 | 0 | 113.7 | T233 E234 E239 | T233-Q237 HydrophobicContact CG2-CG 4.44Å; T233-Q237 WeakPolarHBondContact O-CB 3.31Å; T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 2.9Å; E234-Q237 PolarHBondContact O-N 2.87Å; Q237-E239 VanDerWaalsContact C-N 3.28Å; Q237-E239 PolarHBondContact O-N 3.28Å |
| 238 | K | 80.4 | Confident | 82 | Confident | 151 Ų | 151 | 69.1 Ų | 69.1 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.8 | -23.9 | 179.1 | -77 | 168.5 | -168.5 | 168 | 0 | 113 | E234 C236 | E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 WeakPolarHBondContact O-CD 3.42Å; E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 VanDerWaalsContact O-N 3.13Å; E234-K238 IonicContact OE2-NZ 2.99Å; E234-K238 PolarHBondContact OE2-NZ 3.29Å; C236-K238 PolarHBondContact O-N 2.84Å |
| 239 | E | 72 | Confident | 82.3 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | trans | -92.6 | 113.2 | -175.1 | -163 | 73.3 | -143.1 | 0 | 0 | 112 | Y230 C236 Q237 | Y230-E239 HydrophobicContact CE2-CB 3.65Å; Y230-E239 HydrophobicContact CE2-CG 3.92Å; Y230-E239 VanDerWaalsContact OH-CD 3.22Å; Y230-E239 VanDerWaalsContact OH-CG 3.27Å; Y230-E239 WeakPolarHBondContact OH-CG 3.24Å; Y230-E239 PolarHBondContact OH-OE2 3.46Å; C236-E239 PolarHBondContact O-N 2.95Å; Q237-E239 VanDerWaalsContact C-N 3.28Å; Q237-E239 PolarHBondContact O-N 3.28Å | ||
| 240 | K | 72.8 | Confident | 82.6 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | B | Isolated β-bridge | trans | -133.9 | 122.3 | 171.6 | -175.7 | 175.1 | -177.7 | 179.3 | 0 | 108.8 | ||
| 241 | T | 71.7 | Confident | 82.7 | Confident | 65 Ų | 65 | 70 Ų | 70 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | trans | -98.8 | 173.5 | 165.8 | 67 | 0 | 0 | 0 | 0 | 109.3 | D243 M244 | T241-D243 PolarHBondContact O-N 3.19Å; T241-M244 PolarHBondContact N-O 3.39Å; T241-M244 WeakPolarHBondContact OG1-CB 3.47Å; T241-M244 PolarHBondContact OG1-N 3.06Å; T241-M244 VanDerWaalsContact OG1-N 3.14Å; T241-M244 PolarHBondContact OG1-O 3.24Å | ||
| 242 | S | 68.2 | Low | 82.7 | Confident | 98 Ų | 98 | 65.2 Ų | 65.2 | 69% | 0.685 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -58.3 | -31.4 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 243 | D | 72 | Confident | 82.6 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -114.5 | -5.7 | -167.5 | -50.6 | -14.7 | 0 | 0 | 0 | 112.6 | T241 | T241-D243 PolarHBondContact O-N 3.19Š|
| 244 | M | 78.8 | Confident | 82.5 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | trans | -146.2 | 133.7 | -176.3 | -174.7 | -172.1 | 84.9 | 0 | 0 | 111.5 | M226 C227 T241 A257 S258 N259 | M226-M244 HydrophobicContact CB-CE 3.54Å; M226-M244 HydrophobicContact CB-SD 3.74Å; M226-M244 HydrophobicContact CG-CE 4.5Å; M226-M244 HydrophobicContact CG-SD 4.37Å; C227-M244 WeakPolarHBondContact SG-CE 3.23Å; T241-M244 PolarHBondContact N-O 3.39Å; T241-M244 WeakPolarHBondContact OG1-CB 3.47Å; T241-M244 PolarHBondContact OG1-N 3.06Å; T241-M244 VanDerWaalsContact OG1-N 3.14Å; T241-M244 PolarHBondContact OG1-O 3.24Å; M244-A257 HydrophobicContact CG-CB 4.01Å; M244-A257 HydrophobicContact SD-CB 3.58Å; M244-A257 VanDerWaalsContact SD-CB 3.58Å; M244-S258 WeakPolarHBondContact CA-O 3.49Å; M244-N259 VanDerWaalsContact CG-OD1 3.27Å; M244-N259 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 245 | T | 84.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.3 | 166.2 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | S258 Q264 | T245-S258 PolarHBondContact N-O 3.38Å; T245-S258 PolarHBondContact O-N 2.79Å; T245-Q264 VanDerWaalsContact CG2-NE2 3.35Å; T245-Q264 PolarHBondContact OG1-NE2 3.36Å; T245-Q264 VanDerWaalsContact OG1-NE2 3.12Å |
| 246 | C | 87.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.6 | 172.3 | -69.2 | 0 | 0 | 0 | 0 | 110.9 | C227 C236 I256 | C227-C246 VanDerWaalsContact CA-SG 3.55Å; C227-C246 HydrophobicContact CB-CB 3.87Å; C227-C246 WeakPolarHBondContact CB-SG 3.38Å; C227-C246 WeakPolarHBondContact SG-CA 3.35Å; C227-C246 WeakPolarHBondContact SG-CB 2.92Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 3.17Å; C236-C246 WeakPolarHBondContact O-CB 3.29Å; C246-I256 CarbonylContact C-O 3.59Å; C246-I256 WeakPolarHBondContact CA-O 3.48Å |
| 247 | I | 87.7 | Confident | 82.3 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.6 | -179 | -58.3 | 168.6 | 0 | 0 | 0 | 108.2 | C236 C255 I256 Q264 K267 V268 C271 | C236-I247 PolarHBondContact SG-O 2.94Å; I247-C255 CarbonylContact O-C 3.52Å; I247-C255 WeakPolarHBondContact O-CA 3.29Å; I247-I256 HydrophobicContact CB-CG1 4.04Å; I247-I256 PolarHBondContact N-O 3.09Å; I247-I256 PolarHBondContact O-N 3.16Å; I247-Q264 HydrophobicContact CD1-CG 4.48Å; I247-K267 HydrophobicContact CD1-CB 3.59Å; I247-V268 HydrophobicContact CD1-CG2 3.68Å; I247-V268 HydrophobicContact CG1-CG2 3.96Å; I247-V268 HydrophobicContact CG2-CG2 4.26Å; I247-C271 HydrophobicContact CG2-CB 4.02Å |
| 248 | W | 89.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.9 | 176.3 | -176.6 | -100.8 | 0 | 0 | 0 | 110.2 | T231 T233 C236 D250 N253 C255 H272 | T231-W248 VanDerWaalsContact O-CH2 3.27Å; T231-W248 WeakPolarHBondContact O-CH2 3.42Å; T233-W248 HydrophobicContact CG2-CB 4.1Å; T233-W248 HydrophobicContact CG2-CD2 4.47Å; T233-W248 HydrophobicContact CG2-CG 3.84Å; T233-W248 VanDerWaalsContact OG1-CE2 3.24Å; T233-W248 PolarHBondContact OG1-NE1 3.15Å; C236-W248 HydrophobicContact CB-CB 4.32Å; C236-W248 HydrophobicContact CB-CE3 3.78Å; C236-W248 PolarHBondContact SG-N 2.97Å; W248-D250 PolarHBondContact NE1-OD1 3.38Å; W248-N253 WeakPolarHBondContact CH2-OD1 3.38Å; W248-N253 WeakPolarHBondContact CZ2-OD1 3.22Å; W248-C255 HydrophobicContact CE3-CB 3.92Å; W248-C255 HydrophobicContact CZ3-CB 4.19Å; W248-H272 PolarHBondContact O-CE1 3.41Å; W248-H272 PolarHBondContact O-NE2 3.13Å |
| 249 | C | 89.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 100.3 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | L59 K251 A252 N253 K254 I256 C271 | L59-C249 HydrophobicContact CD1-CB 4.47Å; C249-K251 PolarHBondContact O-N 3.03Å; C249-A252 HydrophobicContact CB-CB 4.35Å; C249-A252 PolarHBondContact O-N 2.95Å; C249-A252 VanDerWaalsContact O-N 3.11Å; C249-N253 PolarHBondContact O-N 2.82Å; C249-K254 PolarHBondContact N-O 3.35Å; C249-K254 PolarHBondContact O-N 3.39Å; C249-I256 WeakPolarHBondContact SG-CD1 3.45Å; C249-I256 VanDerWaalsContact SG-CG1 3.58Å; C249-C271 HydrophobicContact CB-CB 3.66Å; C249-C271 WeakPolarHBondContact CB-SG 3.19Å; C249-C271 WeakPolarHBondContact SG-CB 3.19Å; C249-C271 CovalentContact SG-SG 2.03Å; C249-C271 PolarHBondContact SG-SG 2.98Å |
| 250 | D | 86.7 | Confident | 81.7 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -56 | -48.8 | -169.8 | -65.4 | -64.1 | 0 | 0 | 0 | 112 | W248 A252 N253 H272 | W248-D250 PolarHBondContact NE1-OD1 3.38Å; D250-A252 VanDerWaalsContact C-N 3.28Å; D250-A252 PolarHBondContact O-N 2.76Å; D250-N253 PolarHBondContact O-N 3.28Å; D250-H272 IonicContact OD2-CE1 3.16Å; D250-H272 IonicContact OD2-ND1 2.69Å; D250-H272 PolarHBondContact OD2-ND1 2.91Å |
| 251 | K | 86 | Confident | 81.4 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.9 | -27.9 | -178.1 | -164.6 | 179.5 | 177 | 177.6 | 0 | 114.1 | V48 I49 C249 | V48-K251 WeakPolarHBondContact O-CD 3.48Å; V48-K251 VanDerWaalsContact O-CE 3.24Å; V48-K251 WeakPolarHBondContact O-CE 3.33Å; V48-K251 PolarHBondContact O-NZ 3.21Å; I49-K251 HydrophobicContact CG2-CB 4.49Å; I49-K251 WeakPolarHBondContact O-CD 3.29Å; I49-K251 WeakPolarHBondContact O-CE 3.33Å; I49-K251 PolarHBondContact O-NZ 2.88Å; C249-K251 PolarHBondContact O-N 3.03Å |
| 252 | A | 85.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -90.8 | -10.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N47 I49 L59 C249 D250 K254 | N47-A252 HydrophobicContact CB-CB 4.25Å; I49-A252 HydrophobicContact CD1-CB 3.38Å; L59-A252 HydrophobicContact CD1-CB 3.91Å; C249-A252 HydrophobicContact CB-CB 4.35Å; C249-A252 PolarHBondContact O-N 2.95Å; C249-A252 VanDerWaalsContact O-N 3.11Å; D250-A252 VanDerWaalsContact C-N 3.28Å; D250-A252 PolarHBondContact O-N 2.76Å; A252-K254 HydrophobicContact CB-CB 4.19Å; A252-K254 PolarHBondContact O-N 2.98Å |
| 253 | N | 85.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.2 | -169.5 | -166.1 | 22.7 | 0 | 0 | 0 | 111.5 | W248 C249 D250 | W248-N253 WeakPolarHBondContact CH2-OD1 3.38Å; W248-N253 WeakPolarHBondContact CZ2-OD1 3.22Å; C249-N253 PolarHBondContact O-N 2.82Å; D250-N253 PolarHBondContact O-N 3.28Å |
| 254 | K | 85.9 | Confident | 81.6 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 143.5 | -174.2 | -79.8 | -174.8 | 177.9 | -171.8 | 0 | 111.8 | C249 A252 | C249-K254 PolarHBondContact N-O 3.35Å; C249-K254 PolarHBondContact O-N 3.39Å; A252-K254 HydrophobicContact CB-CB 4.19Å; A252-K254 PolarHBondContact O-N 2.98Å |
| 255 | C | 87.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.2 | 170.3 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | C227 Y230 C236 I247 W248 | C227-C255 HydrophobicContact CB-CB 4.42Å; C227-C255 VanDerWaalsContact O-CB 3.3Å; C227-C255 WeakPolarHBondContact O-CB 3.4Å; C227-C255 PolarHBondContact O-SG 3.24Å; Y230-C255 WeakPolarHBondContact O-CB 3.39Å; C236-C255 VanDerWaalsContact CA-SG 3.5Å; C236-C255 HydrophobicContact CB-CB 3.68Å; C236-C255 WeakPolarHBondContact CB-SG 3.43Å; C236-C255 WeakPolarHBondContact SG-CB 3.34Å; C236-C255 CovalentContact SG-SG 2.01Å; C236-C255 PolarHBondContact SG-SG 3.44Å; I247-C255 CarbonylContact O-C 3.52Å; I247-C255 WeakPolarHBondContact O-CA 3.29Å; W248-C255 HydrophobicContact CE3-CB 3.92Å; W248-C255 HydrophobicContact CZ3-CB 4.19Å |
| 256 | I | 87.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.4 | 179 | 67.2 | 170.9 | 0 | 0 | 0 | 111.2 | L59 I223 C246 I247 C249 | L59-I256 HydrophobicContact CD1-CG2 3.67Å; L59-I256 HydrophobicContact CD2-CG2 4.11Å; I223-I256 HydrophobicContact CG2-CB 4.48Å; I223-I256 HydrophobicContact CG2-CG2 4.36Å; C246-I256 CarbonylContact C-O 3.59Å; C246-I256 WeakPolarHBondContact CA-O 3.48Å; I247-I256 HydrophobicContact CB-CG1 4.04Å; I247-I256 PolarHBondContact N-O 3.09Å; I247-I256 PolarHBondContact O-N 3.16Å; C249-I256 WeakPolarHBondContact SG-CD1 3.45Å; C249-I256 VanDerWaalsContact SG-CG1 3.58Å |
| 257 | A | 85.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C227 M244 | C227-A257 HydrophobicContact CB-CB 4.25Å; C227-A257 WeakPolarHBondContact SG-CA 3.28Å; M244-A257 HydrophobicContact CG-CB 4.01Å; M244-A257 HydrophobicContact SD-CB 3.58Å; M244-A257 VanDerWaalsContact SD-CB 3.58Å |
| 258 | S | 81.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.5 | 161.9 | -165.7 | 0 | 0 | 0 | 0 | 109.4 | M244 T245 D260 Q264 | M244-S258 WeakPolarHBondContact CA-O 3.49Å; T245-S258 PolarHBondContact N-O 3.38Å; T245-S258 PolarHBondContact O-N 2.79Å; S258-D260 PolarHBondContact OG-O 3.24Å; S258-Q264 WeakPolarHBondContact OG-CA 3.18Å |
| 259 | N | 70 | Confident | 80.2 | Confident | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | trans | -101.1 | -3.2 | 179.2 | -58.3 | -5.1 | 0 | 0 | 0 | 112.5 | M244 | M244-N259 VanDerWaalsContact CG-OD1 3.27Å; M244-N259 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 260 | D | 72 | Confident | 80 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -120 | 115.4 | -176 | 173.1 | 5.6 | 0 | 0 | 0 | 106.9 | S258 D262 T263 Q264 | S258-D260 PolarHBondContact OG-O 3.24Å; D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 3.17Å; D260-D262 WeakPolarHBondContact OD1-CB 3.13Å; D260-D262 PolarHBondContact OD1-N 2.8Å; D260-T263 VanDerWaalsContact CB-OG1 3.27Å; D260-T263 WeakPolarHBondContact CB-OG1 3.39Å; D260-T263 PolarHBondContact O-N 2.86Å; D260-T263 VanDerWaalsContact OD2-CG2 3.23Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.43Å; D260-T263 PolarHBondContact OD2-OG1 3.07Å; D260-Q264 PolarHBondContact O-N 3.13Å | ||
| 261 | Q | 66.8 | Low | 79.9 | Confident | 141 Ų | 141 | 56.5 Ų | 56.5 | 66% | 0.659 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67 | -31.7 | -177.3 | -67 | -168.9 | -6.5 | 0 | 0 | 110.8 | T263 Q264 | Q261-T263 VanDerWaalsContact C-N 3.34Å; Q261-T263 PolarHBondContact O-N 2.73Å; Q261-Q264 WeakPolarHBondContact O-CB 3.26Å; Q261-Q264 PolarHBondContact O-N 2.88Å |
| 262 | D | 69.3 | Low | 79.6 | Confident | 151 Ų | 151 | 53 Ų | 53 | 81% | 0.807 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.6 | -33 | -178.6 | -60.7 | -25.8 | 0 | 0 | 0 | 111.1 | D260 | D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 3.17Å; D260-D262 WeakPolarHBondContact OD1-CB 3.13Å; D260-D262 PolarHBondContact OD1-N 2.8Å |
| 263 | T | 73.4 | Confident | 78.6 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -96.6 | 0.6 | 177 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | D260 Q261 L266 K267 | D260-T263 VanDerWaalsContact CB-OG1 3.27Å; D260-T263 WeakPolarHBondContact CB-OG1 3.39Å; D260-T263 PolarHBondContact O-N 2.86Å; D260-T263 VanDerWaalsContact OD2-CG2 3.23Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.43Å; D260-T263 PolarHBondContact OD2-OG1 3.07Å; Q261-T263 VanDerWaalsContact C-N 3.34Å; Q261-T263 PolarHBondContact O-N 2.73Å; T263-L266 WeakPolarHBondContact O-CB 3.29Å; T263-L266 PolarHBondContact O-N 2.79Å; T263-K267 PolarHBondContact O-N 2.98Å |
| 264 | Q | 74.1 | Confident | 77 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -51.5 | -177.5 | -177.5 | 175.1 | -0.7 | 0 | 0 | 111.9 | T245 I247 S258 D260 Q261 L266 K267 V268 | T245-Q264 VanDerWaalsContact CG2-NE2 3.35Å; T245-Q264 PolarHBondContact OG1-NE2 3.36Å; T245-Q264 VanDerWaalsContact OG1-NE2 3.12Å; I247-Q264 HydrophobicContact CD1-CG 4.48Å; S258-Q264 WeakPolarHBondContact OG-CA 3.18Å; D260-Q264 PolarHBondContact O-N 3.13Å; Q261-Q264 WeakPolarHBondContact O-CB 3.26Å; Q261-Q264 PolarHBondContact O-N 2.88Å; Q264-L266 VanDerWaalsContact C-N 3.28Å; Q264-L266 PolarHBondContact O-N 2.94Å; Q264-K267 PolarHBondContact O-N 3.49Å; Q264-V268 WeakPolarHBondContact O-CG2 3.34Å; Q264-V268 PolarHBondContact O-N 3.1Å |
| 265 | M | 75.3 | Confident | 74.7 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 59% | 0.586 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 178.9 | -71.2 | -62.3 | 116.3 | 0 | 0 | 111.8 | K267 V268 N269 | M265-K267 PolarHBondContact O-N 3.2Å; M265-V268 PolarHBondContact O-N 3.37Å; M265-N269 WeakPolarHBondContact O-CB 3.25Å; M265-N269 PolarHBondContact O-N 3.43Å; M265-N269 PolarHBondContact O-OD1 3.42Å |
| 266 | L | 79.1 | Confident | 72 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176 | -169.9 | 72.7 | 0 | 0 | 0 | 111.1 | R66 T263 Q264 N269 D270 | R66-L266 VanDerWaalsContact NH1-CD2 3.31Å; T263-L266 WeakPolarHBondContact O-CB 3.29Å; T263-L266 PolarHBondContact O-N 2.79Å; Q264-L266 VanDerWaalsContact C-N 3.28Å; Q264-L266 PolarHBondContact O-N 2.94Å; L266-N269 PolarHBondContact O-N 3.09Å; L266-D270 WeakPolarHBondContact O-CB 3.35Å; L266-D270 PolarHBondContact O-N 3.29Å |
| 267 | K | 80.6 | Confident | 69.5 | Low | 9 Ų | 9 | 73.1 Ų | 73.1 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 176.6 | -75.3 | 177.9 | 177.5 | 169.3 | 0 | 113.3 | E221 I247 T263 Q264 M265 D270 C271 | E221-K267 WeakPolarHBondContact OE2-CE 3.45Å; E221-K267 IonicContact OE2-NZ 3.6Å; E221-K267 PolarHBondContact OE2-NZ 3.36Å; I247-K267 HydrophobicContact CD1-CB 3.59Å; T263-K267 PolarHBondContact O-N 2.98Å; Q264-K267 PolarHBondContact O-N 3.49Å; M265-K267 PolarHBondContact O-N 3.2Å; K267-D270 PolarHBondContact O-N 2.93Å; K267-C271 WeakPolarHBondContact O-CB 3.41Å; K267-C271 PolarHBondContact O-N 3.36Å; K267-C271 VanDerWaalsContact O-N 3.09Å |
| 268 | V | 80.3 | Confident | 66.8 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | I247 Q264 M265 D270 C271 H272 | I247-V268 HydrophobicContact CD1-CG2 3.68Å; I247-V268 HydrophobicContact CG1-CG2 3.96Å; I247-V268 HydrophobicContact CG2-CG2 4.26Å; Q264-V268 WeakPolarHBondContact O-CG2 3.34Å; Q264-V268 PolarHBondContact O-N 3.1Å; M265-V268 PolarHBondContact O-N 3.37Å; V268-D270 VanDerWaalsContact C-N 3.34Å; V268-D270 PolarHBondContact O-N 3.44Å; V268-C271 PolarHBondContact O-N 3.32Å; V268-H272 PolarHBondContact O-CD2 3.48Å; V268-H272 VanDerWaalsContact O-CD2 3.24Å; V268-H272 PolarHBondContact O-N 3.04Å |
| 269 | N | 81.8 | Confident | 64.6 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 178 | -67.9 | -9.7 | 0 | 0 | 0 | 111 | M265 L266 C271 H272 V273 | M265-N269 WeakPolarHBondContact O-CB 3.25Å; M265-N269 PolarHBondContact O-N 3.43Å; M265-N269 PolarHBondContact O-OD1 3.42Å; L266-N269 PolarHBondContact O-N 3.09Å; N269-C271 PolarHBondContact O-N 3.45Å; N269-H272 PolarHBondContact O-N 3.23Å; N269-V273 WeakPolarHBondContact O-CG2 3.35Å; N269-V273 PolarHBondContact O-N 2.81Å |
| 270 | D | 85 | Confident | 62.9 | Low | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.037 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 178.7 | -71 | -25.7 | 0 | 0 | 0 | 113.2 | I49 Y55 Y57 R66 L266 K267 V268 | I49-D270 WeakPolarHBondContact CG2-O 3.47Å; Y55-D270 VanDerWaalsContact CE1-OD1 3.32Å; Y55-D270 WeakPolarHBondContact CE1-OD1 3.44Å; Y55-D270 VanDerWaalsContact CZ-OD1 3.24Å; Y55-D270 PolarHBondContact OH-OD1 2.89Å; Y55-D270 PolarHBondContact OH-OD2 2.99Å; Y57-D270 HydrophobicContact CD1-CB 3.59Å; Y57-D270 HydrophobicContact CD2-CB 4.49Å; Y57-D270 HydrophobicContact CE1-CB 4Å; Y57-D270 HydrophobicContact CG-CB 3.86Å; R66-D270 IonicContact CZ-OD2 3.4Å; R66-D270 IonicContact NE-OD2 2.85Å; R66-D270 PolarHBondContact NE-OD2 3.43Å; R66-D270 VanDerWaalsContact NE-OD2 3.16Å; R66-D270 IonicContact NH2-OD2 2.76Å; R66-D270 PolarHBondContact NH2-OD2 3.01Å; L266-D270 WeakPolarHBondContact O-CB 3.35Å; L266-D270 PolarHBondContact O-N 3.29Å; K267-D270 PolarHBondContact O-N 2.93Å; V268-D270 VanDerWaalsContact C-N 3.34Å; V268-D270 PolarHBondContact O-N 3.44Å |
| 271 | C | 85.8 | Confident | 61 | Low | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.034 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -88.9 | -23.6 | -175.6 | -80.4 | 0 | 0 | 0 | 0 | 114.7 | I247 C249 K267 V268 N269 | I247-C271 HydrophobicContact CG2-CB 4.02Å; C249-C271 HydrophobicContact CB-CB 3.66Å; C249-C271 WeakPolarHBondContact CB-SG 3.19Å; C249-C271 WeakPolarHBondContact SG-CB 3.19Å; C249-C271 CovalentContact SG-SG 2.03Å; C249-C271 PolarHBondContact SG-SG 2.98Å; K267-C271 WeakPolarHBondContact O-CB 3.41Å; K267-C271 PolarHBondContact O-N 3.36Å; K267-C271 VanDerWaalsContact O-N 3.09Å; V268-C271 PolarHBondContact O-N 3.32Å; N269-C271 PolarHBondContact O-N 3.45Å |
| 272 | H | 78.4 | Confident | 59.6 | Low | 69 Ų | 69 | 95.2 Ų | 95.2 | 32% | 0.319 | 52% | 0.515 | S | S | . | . | trans | -111.8 | 19.7 | -177.5 | -62.9 | -60.8 | 0 | 0 | 0 | 114 | W248 D250 V268 N269 E274 | W248-H272 PolarHBondContact O-CE1 3.41Å; W248-H272 PolarHBondContact O-NE2 3.13Å; D250-H272 IonicContact OD2-CE1 3.16Å; D250-H272 IonicContact OD2-ND1 2.69Å; D250-H272 PolarHBondContact OD2-ND1 2.91Å; V268-H272 PolarHBondContact O-CD2 3.48Å; V268-H272 VanDerWaalsContact O-CD2 3.24Å; V268-H272 PolarHBondContact O-N 3.04Å; N269-H272 PolarHBondContact O-N 3.23Å; H272-E274 VanDerWaalsContact C-N 3.26Å; H272-E274 PolarHBondContact O-N 3.46Å | ||
| 273 | V | 64.8 | Low | 58 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | trans | -62.6 | 90.4 | 173.9 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | V50 N269 T275 | V50-V273 HydrophobicContact CB-CB 4.47Å; V50-V273 HydrophobicContact CB-CG2 4.16Å; V50-V273 HydrophobicContact CG1-CG2 4.41Å; V50-V273 HydrophobicContact CG2-CB 4.32Å; V50-V273 HydrophobicContact CG2-CG1 4.32Å; V50-V273 HydrophobicContact CG2-CG2 4.02Å; N269-V273 WeakPolarHBondContact O-CG2 3.35Å; N269-V273 PolarHBondContact O-N 2.81Å; V273-T275 PolarHBondContact O-N 3.09Å | ||
| 274 | E | 52 | Low | 56 | Low | 166 Ų | 166 | 97.7 Ų | 97.7 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | trans | -62.3 | 125.8 | 162.2 | -75.3 | -172 | 173 | 0 | 0 | 107.3 | H272 N276 | H272-E274 VanDerWaalsContact C-N 3.26Å; H272-E274 PolarHBondContact O-N 3.46Å; E274-N276 PolarHBondContact O-N 2.84Å | ||
| 275 | T | 38.1 | Very low | 54.2 | Low | 135 Ų | 135 | 101.5 Ų | 101.5 | 83% | 0.828 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -76.5 | 64.7 | -175.1 | -21 | 0 | 0 | 0 | 0 | 109.2 | V273 | V273-T275 PolarHBondContact O-N 3.09Š|
| 276 | N | 31.2 | Very low | 52 | Low | 141 Ų | 141 | 101.3 Ų | 101.3 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | trans | -155.4 | 129.8 | 173.7 | -83.1 | -38.4 | 0 | 0 | 0 | 111.7 | E274 | E274-N276 PolarHBondContact O-N 2.84Š| ||
| 277 | S | 33.7 | Very low | 49.7 | Very low | 119 Ų | 119 | 103.5 Ų | 103.5 | 83% | 0.832 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 75.7 | 113.2 | 163.7 | 45.8 | 0 | 0 | 0 | 0 | 121.1 | ||
| 278 | K | 30.2 | Very low | 47.3 | Very low | 198 Ų | 198 | 110.9 Ų | 110.9 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | trans | 40.2 | 105.2 | 154 | -90.9 | -178.9 | 172.6 | -178.7 | 0 | 117.9 | T280 | K278-T280 PolarHBondContact O-N 2.97Š| ||
| 279 | V | 35.2 | Very low | 45 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 81% | 0.806 | 66% | 0.662 | S | S | * | * | trans | -55.2 | 101.4 | 153.5 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 280 | T | 34.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | -86.1 | 119.8 | 156 | -53.1 | 0 | 0 | 0 | 0 | 105.2 | K278 L282 | K278-T280 PolarHBondContact O-N 2.97Å; T280-L282 PolarHBondContact O-N 2.94Å | ||
| 281 | D | 31.9 | Very low | 39.8 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | trans | -42.5 | 108.3 | 178.6 | -78.4 | -53.4 | 0 | 0 | 0 | 112.3 | S283 | D281-S283 PolarHBondContact O-N 3.37Š| ||
| 282 | L | 37.2 | Very low | 37.3 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | -88 | 57.3 | 162.1 | -134.6 | 84.7 | 0 | 0 | 0 | 108.7 | T280 | T280-L282 PolarHBondContact O-N 2.94Š| ||
| 283 | S | 35 | Very low | 35 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -117.3 | 54.5 | 172.6 | -58.3 | 0 | 0 | 0 | 0 | 108.6 | D281 | D281-S283 PolarHBondContact O-N 3.37Š| ||
| 284 | T | 31.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | -133 | 87.4 | 171.3 | -36.9 | 0 | 0 | 0 | 0 | 109.2 | T286 | T284-T286 PolarHBondContact O-N 2.91Š| ||
| 285 | S | 36.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 107.9 | 154.1 | 160.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 286 | T | 29.7 | Very low | 32 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -66.3 | 128 | 167 | -51.7 | 0 | 0 | 0 | 0 | 108.6 | T284 | T284-T286 PolarHBondContact O-N 2.91Š| ||
| 287 | P | 30.4 | Very low | 32.1 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 129.3 | 174.8 | 17.3 | -10.3 | 0 | 0 | 0 | 110.2 | Q289 | P287-Q289 PolarHBondContact O-N 3.02Å; P287-Q289 VanDerWaalsContact O-N 3.13Å | ||
| 288 | I | 31.3 | Very low | 32 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 109.5 | 171.2 | -63.8 | 168.6 | 0 | 0 | 0 | 107.7 | Q290 | I288-Q290 PolarHBondContact O-N 3.02Š| ||
| 289 | Q | 31.5 | Very low | 31.9 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -69.8 | 121.8 | 160.7 | -76.6 | -157.6 | 5.2 | 0 | 0 | 108.6 | P287 S291 | P287-Q289 PolarHBondContact O-N 3.02Å; P287-Q289 VanDerWaalsContact O-N 3.13Å; Q289-S291 PolarHBondContact O-N 2.95Å | ||
| 290 | Q | 28.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -62.7 | 123.5 | 163.2 | -73.8 | 169.5 | -55.9 | 0 | 0 | 108.9 | I288 | I288-Q290 PolarHBondContact O-N 3.02Š| ||
| 291 | S | 28.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -124 | 103.5 | 158.3 | 61.1 | 0 | 0 | 0 | 0 | 107.5 | Q289 | Q289-S291 PolarHBondContact O-N 2.95Š| ||
| 292 | E | 34 | Very low | 31.3 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 123.9 | 170.5 | -80.7 | -174.3 | 163.6 | 0 | 0 | 110.5 | ||||
| 293 | T | 30.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 137 Ų | 137 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 99.1 | 134.7 | -32.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 294 | T | 25.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | 20.2 | 119.7 | 123.4 | -39.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 295 | S | 35.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | -178.7 | 113.6 | 119.3 | -75.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 296 | D | 30.9 | Very low | 30.5 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 53.7 | 128.8 | 133.4 | -93.1 | -17.2 | 0 | 0 | 0 | 123.4 | ||||
| 297 | V | 32.5 | Very low | 30.7 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | 100.6 | 104.2 | 140.3 | 179.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 298 | T | 32.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | 43 | 116.5 | 145.3 | 50.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 299 | E | 28.1 | Very low | 30.5 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | 52 | 128.8 | 116.7 | -125.7 | 174.6 | -147.8 | 0 | 0 | 121 | |||||
| 300 | V | 30.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | trans | 102.7 | 100.5 | 155.6 | -166.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 301 | E | 28.2 | Very low | 30.6 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 33.4 | 142.4 | 137 | -53.9 | -174.5 | 139.8 | 0 | 0 | 124.1 | ||||
| 302 | V | 29.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 109 | 106.1 | 143.2 | -166.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 303 | E | 29.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 40.5 | 142 | 138.8 | -65.8 | -176.4 | 145.5 | 0 | 0 | 124.6 | ||||
| 304 | E | 32.4 | Very low | 30.3 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 61.3 | 135.4 | 151.4 | -77.4 | -178.7 | 154 | 0 | 0 | 116.7 | ||||
| 305 | D | 33.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -172.9 | 163.7 | 37.9 | -126.3 | -24.8 | 0 | 0 | 0 | 110.6 | ||||
| 306 | L | 28 | Very low | 30.3 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -55 | 146.7 | -179.8 | -68.1 | 113.7 | 0 | 0 | 0 | 116.4 | ||||
| 307 | K | 32.5 | Very low | 30.4 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | 164.4 | 128.7 | 114.2 | -100.7 | 172.2 | 179.1 | 167.7 | 0 | 115.7 | |||||
| 308 | T | 26.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 38 | 138.2 | 134.6 | 55.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 309 | N | 31 | Very low | 30.6 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | cis | 179.9 | 152.6 | 48 | -152 | 7.4 | 0 | 0 | 0 | 111.6 | ||||
| 310 | S | 30.6 | Very low | 30.8 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 64 | 136.1 | 151.6 | 71.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 311 | K | 33.1 | Very low | 30.6 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | cis | -166.4 | 136.2 | 48.8 | -162.9 | 174.7 | -176.4 | -179.1 | 0 | 111.4 | ||||
| 312 | V | 26.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | -77.8 | 145.2 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | T | 31.4 | Very low | 30.7 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -151 | 119.4 | 135.2 | -43.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 314 | D | 27.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 154.8 | 174.5 | -65.3 | -59.8 | 0 | 0 | 0 | 114 | ||||
| 315 | L | 33.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -154.8 | 106.9 | 135.4 | -107.8 | 135.6 | 0 | 0 | 0 | 109.9 | ||||
| 316 | S | 28.5 | Very low | 30.5 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -107.3 | 142.6 | 177.6 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 317 | T | 32.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -163.1 | 94.3 | 151.1 | -41.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 318 | S | 33.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | 53.9 | 133.1 | 83.4 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 319 | A | 35.9 | Very low | 30.7 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | cis | -170.8 | -166 | 19.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 320 | P | 32.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -132.5 | 164.5 | -63.6 | 35.7 | -18.5 | 0 | 0 | 0 | 114.7 | |||||
| 321 | I | 26.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -85.7 | 139.8 | 166 | -67.7 | 164.6 | 0 | 0 | 0 | 109.2 | ||||
| 322 | Q | 33.8 | Very low | 30.3 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -104 | 113.5 | 160.6 | -78.4 | -166.5 | -1.5 | 0 | 0 | 110 | ||||
| 323 | Q | 26.7 | Very low | 30.2 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -94 | 137.7 | 154.2 | -86.7 | 171.9 | -39.8 | 0 | 0 | 107.7 | ||||
| 324 | S | 31.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -119.2 | 116.4 | 160.9 | 51.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 325 | E | 32.6 | Very low | 30.3 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 129.5 | 166.3 | -69.7 | 176.4 | 150.3 | 0 | 0 | 107.9 | ||
| 326 | T | 27 | Very low | 30 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 117.5 | 165.7 | 36.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 327 | T | 29.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 137.9 | 164.2 | 9.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 328 | S | 29.8 | Very low | 30 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 145.5 | 178.3 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 329 | D | 32.7 | Very low | 30 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -170.9 | 103.1 | 135.4 | -91.2 | -22.7 | 0 | 0 | 0 | 113 | ||||
| 330 | V | 26.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 72% | 0.715 | 82% | 0.815 | S | S | * | * | 39.5 | 141.4 | 127.8 | -174.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 331 | T | 27.2 | Very low | 29.4 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | 79 | 132.6 | 159.9 | 44.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 332 | E | 31.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 154 Ų | 154 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | cis | -146 | 135 | 31.4 | -66.1 | 170.8 | 132.5 | 0 | 0 | 110.5 | ||||
| 333 | V | 24.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | 46.8 | 109.7 | 93.7 | -163.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 334 | E | 31.7 | Very low | 29.3 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | 169.5 | 110 | 123 | -88.4 | -173 | 173.8 | 0 | 0 | 110.4 | |||||
| 335 | V | 29.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | 92.8 | 135.1 | 97.1 | 176 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 336 | E | 27.2 | Very low | 29 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -38.9 | 163 | -178.2 | -61 | 176.7 | 143.8 | 0 | 0 | 116.7 | ||||
| 337 | E | 32.7 | Very low | 29.1 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | -177.9 | 169 | 61.2 | -150.2 | 176.9 | -176.7 | 0 | 0 | 111.3 | |||||
| 338 | D | 28.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -51.3 | 153.5 | -170.3 | -62 | -62.9 | 0 | 0 | 0 | 119.9 | ||||
| 339 | L | 31.5 | Very low | 29.3 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | 175.1 | 126.8 | 117.6 | -99.4 | 142.6 | 0 | 0 | 0 | 114.2 | |||||
| 340 | K | 26.8 | Very low | 28.9 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 144.6 | 162.8 | -77.1 | 170.3 | 173.6 | 168.9 | 0 | 111.1 | ||||
| 341 | T | 29.9 | Very low | 29.2 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | -174.6 | 142.9 | 124.2 | 15.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 342 | N | 25.2 | Very low | 29.4 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -64.5 | 145.3 | 174.1 | -76.2 | -28.5 | 0 | 0 | 0 | 113.2 | ||||
| 343 | S | 33.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -163 | 134.3 | 134.3 | 60 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 344 | K | 25.9 | Very low | 30 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 155 | 175.1 | -173.5 | -177.7 | -174.7 | -176.6 | 0 | 111.3 | ||||
| 345 | V | 30.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | 157.2 | 109.5 | 147.2 | 159.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 346 | T | 28 | Very low | 29.8 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 66% | 0.656 | 82% | 0.817 | S | S | * | * | 48.5 | 133.1 | 101.3 | 10.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 347 | D | 30.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | cis | -172.6 | 162.6 | 38.8 | -105.1 | -44 | 0 | 0 | 0 | 110.7 | ||||
| 348 | L | 28.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 42.2 | 126.4 | 150.8 | -85.7 | 81.4 | 0 | 0 | 0 | 121.7 | ||||
| 349 | S | 33.2 | Very low | 30 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | 172.3 | 141.5 | 103.5 | 41 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 350 | T | 25.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -83.5 | 153.4 | -176.6 | 35.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 351 | S | 32.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -168.5 | 91 | 157.2 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 352 | T | 32.2 | Very low | 29.7 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 54.9 | 153.2 | 94.1 | 10.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 353 | P | 34.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -131.5 | 179.6 | -123.7 | 33.2 | -8.3 | 0 | 0 | 0 | 115.5 | |||||
| 354 | I | 32 | Very low | 29.4 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -138.8 | 138.1 | 169 | -60.9 | -178.6 | 0 | 0 | 0 | 112 | ||||
| 355 | Q | 28.9 | Very low | 29.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 158.4 | -172.3 | -58.2 | 178.7 | -8.6 | 0 | 0 | 115.1 | ||||
| 356 | Q | 30.5 | Very low | 29.2 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | -166.8 | 153.2 | 122 | -107.6 | 170.1 | -6.1 | 0 | 0 | 113.3 | |||||
| 357 | S | 27.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -101.4 | 160.5 | -153.8 | 48.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 358 | E | 34.1 | Very low | 29.1 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 172.9 | 97.7 | 135.8 | -96.2 | 171.4 | -166.9 | 0 | 0 | 109.2 | ||||
| 359 | T | 29.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | 76.8 | 109.6 | 89.4 | 42.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 360 | T | 25.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | 64 | 142.8 | 136.5 | 42.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 361 | S | 31.1 | Very low | 29 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | cis | -159.4 | 149.9 | 19.5 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 362 | D | 26.4 | Very low | 29 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 26.4 | 135 | 136.7 | -48.9 | -34.2 | 0 | 0 | 0 | 120 | ||||
| 363 | V | 28.4 | Very low | 28.8 | Very low | 138 Ų | 138 | 151 Ų | 151 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | -163.4 | 140.8 | 73.1 | 162.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 364 | T | 23.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -76.7 | 142.8 | 168.3 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 365 | E | 28.6 | Very low | 28.3 | Very low | 199 Ų | 199 | 152 Ų | 152 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -154.4 | 144 | 144 | -126.9 | 171.4 | -160.7 | 0 | 0 | 112.5 | ||||
| 366 | V | 22.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -111.2 | 144.1 | -171 | 165.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 367 | E | 28.3 | Very low | 28.5 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 171.6 | 115.8 | 142.7 | -96.4 | 171.2 | -173.8 | 0 | 0 | 109.4 | ||||
| 368 | V | 26.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 99.8 | 115.1 | 71.1 | 168.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 369 | E | 25.4 | Very low | 28.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 17.1 | 139.1 | 151.7 | -61.4 | -177 | 150.9 | 0 | 0 | 122.5 | ||||
| 370 | E | 32 | Very low | 28.1 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -158.3 | 140.9 | 110.9 | -129.7 | -178.6 | 176.8 | 0 | 0 | 113.6 | |||||
| 371 | D | 28.2 | Very low | 28.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | -70.8 | 157.4 | -174.3 | -72.3 | -55.7 | 0 | 0 | 0 | 115.6 | ||||
| 372 | L | 32.5 | Very low | 28.1 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | -168.8 | 126.9 | 118.5 | -101.3 | 152.8 | 0 | 0 | 0 | 114.7 | |||||
| 373 | K | 28.3 | Very low | 28.1 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -57.6 | 151.5 | 179.4 | -67.7 | 157.7 | 173.2 | 162.3 | 0 | 115.5 | ||||
| 374 | T | 30 | Very low | 28 | Very low | 152 Ų | 152 | 144 Ų | 144 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | -164.7 | 137.3 | 108.9 | 10 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 375 | N | 27.2 | Very low | 28.1 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 147.3 | -172 | -77.5 | -30.9 | 0 | 0 | 0 | 115.8 | ||||
| 376 | S | 33.2 | Very low | 28 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | -173.8 | 110.4 | 111.2 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 377 | K | 28.6 | Very low | 28.3 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | 56.8 | 121.5 | 90.6 | -117.2 | -163.7 | 177.4 | 179.8 | 0 | 111.3 | |||||
| 378 | V | 29.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.655 | 78% | 0.78 | S | S | * | * | cis | -166.8 | 124 | 41.1 | 171.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 379 | T | 27.6 | Very low | 28.1 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | 41.5 | 139.2 | 107.1 | 23.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 380 | D | 27.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -173.7 | 164.4 | 18.9 | -120 | -28.5 | 0 | 0 | 0 | 108.9 | ||||
| 381 | L | 27.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 70 | 115.3 | 147.3 | -96.4 | 79.4 | 0 | 0 | 0 | 121.7 | ||||
| 382 | S | 28 | Very low | 27.8 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | 102.6 | 121.4 | 110.2 | 71.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 383 | T | 26.7 | Very low | 27.4 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 80.6 | 131.6 | 131.1 | 45.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 384 | S | 25.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -52.5 | 142.4 | 167.9 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 385 | T | 27 | Very low | 27.2 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -168.4 | 151.6 | 130.7 | 2.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 386 | P | 26.9 | Very low | 27.3 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -92.4 | 151.9 | -174 | 36.6 | -28.5 | 0 | 0 | 0 | 111.6 | ||||
| 387 | I | 29.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -129.4 | 125.9 | 174.3 | -62.9 | -179.9 | 0 | 0 | 0 | 110.9 | ||||
| 388 | Q | 27.1 | Very low | 26.8 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 169.6 | 173.4 | -68.8 | -173.6 | -13.4 | 0 | 0 | 112.7 | ||||
| 389 | Q | 23.2 | Very low | 26.7 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -26.9 | 139.3 | 164.4 | -69.1 | 165.2 | -54.3 | 0 | 0 | 116.2 | ||||
| 390 | S | 28 | Very low | 26.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 118.2 | 137 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 391 | E | 25.6 | Very low | 26.6 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -59.7 | 137 | 155.9 | -67.4 | 171.1 | 148.2 | 0 | 0 | 108.9 | ||||
| 392 | T | 26.1 | Very low | 26.5 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 102.5 | 156.5 | 42.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 393 | T | 23.2 | Very low | 26.7 | Very low | 128 Ų | 128 | 148 Ų | 148 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -53.6 | 132.5 | 152 | -4.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 394 | S | 30 | Very low | 26.8 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -131.5 | 100.5 | 161.2 | 63.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 395 | D | 25.1 | Very low | 27.1 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -59.2 | 129.1 | 160.8 | -70.3 | -46.9 | 0 | 0 | 0 | 109 | ||||
| 396 | V | 28.7 | Very low | 27.2 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -121.3 | 106.6 | 163.1 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 397 | T | 28.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 77% | 0.767 | 82% | 0.823 | S | S | * | * | trans | -69.2 | 143.6 | 173.9 | 39.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 398 | E | 23.9 | Very low | 27.3 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -47.9 | 136.5 | 167 | -73.6 | 171.3 | 136.2 | 0 | 0 | 113.5 | ||||
| 399 | V | 27.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -148.4 | 117.6 | 141.6 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 400 | E | 24.1 | Very low | 28.2 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -70.2 | 140.7 | 167.9 | -66.8 | 175.7 | 138.6 | 0 | 0 | 111.5 | ||||
| 401 | V | 28.1 | Very low | 28.3 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 118.9 | 147 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 402 | E | 25.6 | Very low | 28.7 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 151.9 | 171.8 | -74.8 | -175.6 | 135.2 | 0 | 0 | 112.9 | ||||
| 403 | E | 32.1 | Very low | 28.9 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -143.1 | 124.6 | 145 | -145.8 | 175.8 | -167.8 | 0 | 0 | 110.8 | ||||
| 404 | D | 28.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 152 Ų | 152 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 150.2 | -174.4 | -78.9 | -57.2 | 0 | 0 | 0 | 115.5 | ||||
| 405 | L | 31.6 | Very low | 29.5 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -161 | 108.9 | 136.1 | -106 | 153 | 0 | 0 | 0 | 112.4 | ||||
| 406 | K | 28.5 | Very low | 29.6 | Very low | 168 Ų | 168 | 151 Ų | 151 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -62.5 | 154.7 | 177.4 | -74.3 | 169.9 | 173.2 | 168.7 | 0 | 114.8 | ||||
| 407 | T | 29.2 | Very low | 30 | Very low | 147 Ų | 147 | 150 Ų | 150 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -168.6 | 147.7 | 116.3 | 19.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 408 | N | 28.1 | Very low | 30.2 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 160.2 | -151.9 | -64.7 | -19.7 | 0 | 0 | 0 | 117.4 | ||||
| 409 | S | 35.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | -175.3 | 100.9 | 119.6 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 410 | E | 35 | Very low | 30.7 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | 68.6 | 106.2 | 116.8 | -85.9 | -179.1 | 149.2 | 0 | 0 | 117.7 | |||||
| 411 | I | 30.4 | Very low | 31.2 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | 77.6 | 126.5 | 83 | -70.2 | 179.3 | 0 | 0 | 0 | 110.7 | |||||
| 412 | E | 34.5 | Very low | 31.1 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | cis | -159.1 | 174.4 | 33.6 | -143.9 | 162.2 | -134.1 | 0 | 0 | 112.2 | ||||
| 413 | D | 29.5 | Very low | 31.4 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -125.5 | 177.4 | -147.5 | -148.9 | -10.3 | 0 | 0 | 0 | 112.8 | ||||
| 414 | L | 31.2 | Very low | 31.6 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 90 | 100.9 | 151.9 | -71.8 | 142.5 | 0 | 0 | 0 | 123.2 | ||||
| 415 | S | 33.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 53.9 | 126.7 | 117.4 | 69.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 416 | T | 27.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -60.2 | -174.9 | 161 | 26.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 417 | P | 37.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -138.3 | 163.8 | -50.5 | 38.8 | -22.1 | 0 | 0 | 0 | 113.8 | |||||
| 418 | A | 33.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -176 | 117.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 419 | S | 31 | Very low | 32.3 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 31.9 | 125.7 | 132 | -59.6 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 420 | I | 30.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 75.2 | 110.5 | 129.2 | -58.6 | 165.8 | 0 | 0 | 0 | 119.5 | |||||
| 421 | K | 33.9 | Very low | 32.1 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | 172.5 | 151.5 | 106.9 | -117 | 154.5 | -172.5 | -173.7 | 0 | 113 | |||||
| 422 | R | 26.2 | Very low | 32.3 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -111.6 | 144.1 | -174.7 | 172.4 | -170 | -160.5 | 155.3 | 5.3 | 109.9 | ||||
| 423 | S | 32.5 | Very low | 32.2 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | 163.9 | 116.3 | 139.9 | 53.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 424 | E | 36.2 | Very low | 32.6 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | 92.3 | 147.6 | 106 | -76.1 | -173.9 | -173.9 | 0 | 0 | 111.9 | |||||
| 425 | T | 30 | Very low | 32.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | cis | -178.6 | 143.1 | -13.1 | -71.8 | 0 | 0 | 0 | 0 | 103 | ||||
| 426 | T | 33.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -158.1 | 127.3 | 144.6 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 427 | S | 32 | Very low | 33.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -96.4 | 159.2 | -177.9 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 428 | G | 33.8 | Very low | 33.5 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -164.4 | 98.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 429 | V | 30.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -96.9 | 142.4 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 430 | T | 36 | Very low | 34.6 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 92% | 0.92 | 78% | 0.783 | S | S | * | * | trans | -132.7 | 128.8 | 153.1 | -1.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 431 | E | 31.6 | Very low | 35.3 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -96.1 | 137.2 | -172 | -171.7 | -176.7 | -174.5 | 0 | 0 | 110.3 | ||||
| 432 | V | 33.4 | Very low | 35.9 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -137.9 | 119.6 | 156.9 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 433 | Q | 31.9 | Very low | 37 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -76.4 | 141.8 | 177.5 | -66.2 | 173.7 | -16.6 | 0 | 0 | 111.3 | ||||
| 434 | T | 39 | Very low | 37.7 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -155.6 | 116.6 | 138.6 | 22.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 435 | E | 31.3 | Very low | 38.3 | Very low | 203 Ų | 203 | 127.1 Ų | 127.1 | 95% | 0.949 | 73% | 0.726 | S | S | * | * | trans | -72.8 | 134.5 | 176.4 | -71.7 | 176.9 | 132.9 | 0 | 0 | 111.1 | ||||
| 436 | G | 35 | Very low | 39.4 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | trans | 165.6 | 113.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 437 | N | 41.4 | Very low | 40.3 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 73.6 | 60 | 174 | -67.3 | -17.7 | 0 | 0 | 0 | 118.6 | V441 | N437-V441 WeakPolarHBondContact O-CG2 3.36Š| ||
| 438 | V | 41.4 | Very low | 41 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -90.2 | -10 | 178 | -179.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 439 | K | 45.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -90 | -27.6 | -178.2 | -78.4 | -174 | 176.3 | -179.4 | 0 | 115.9 | ||
| 440 | E | 41.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 125 Ų | 125 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -95.1 | -19.5 | -178.2 | -149.2 | -178.4 | 157.8 | 0 | 0 | 113.3 | ||
| 441 | V | 45 | Very low | 43.6 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -81 | -27.3 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | N437 T445 | N437-V441 WeakPolarHBondContact O-CG2 3.36Å; V441-T445 WeakPolarHBondContact O-CB 3.3Å; V441-T445 PolarHBondContact O-N 3.15Å; V441-T445 VanDerWaalsContact O-N 3.07Å; V441-T445 PolarHBondContact O-OG1 3.49Å |
| 442 | S | 45.6 | Very low | 44.5 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 177.1 | 154.4 | 0 | 0 | 0 | 0 | 112.7 | A446 | S442-A446 WeakPolarHBondContact O-CB 3.41Å; S442-A446 PolarHBondContact O-N 2.9Å; S442-A446 VanDerWaalsContact O-N 3.13Å |
| 443 | E | 49.4 | Very low | 45.3 | Very low | 143 Ų | 143 | 116.9 Ų | 116.9 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.2 | -38.2 | 178.8 | -79 | -175 | 154.3 | 0 | 0 | 113.2 | T445 A446 Q447 | E443-T445 VanDerWaalsContact C-N 3.34Å; E443-T445 PolarHBondContact O-N 3.48Å; E443-A446 PolarHBondContact O-N 3.08Å; E443-Q447 PolarHBondContact O-N 3.42Å |
| 444 | K | 48.6 | Very low | 46.3 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 58% | 0.578 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.5 | -37.6 | 174.9 | -81.4 | 178.9 | 177.2 | 165.4 | 0 | 112.2 | Q448 | K444-Q448 WeakPolarHBondContact O-CB 3.42Å; K444-Q448 PolarHBondContact O-N 2.94Å |
| 445 | T | 48.6 | Very low | 46.9 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71 | -35 | 178.1 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | V441 E443 S449 | V441-T445 WeakPolarHBondContact O-CB 3.3Å; V441-T445 PolarHBondContact O-N 3.15Å; V441-T445 VanDerWaalsContact O-N 3.07Å; V441-T445 PolarHBondContact O-OG1 3.49Å; E443-T445 VanDerWaalsContact C-N 3.34Å; E443-T445 PolarHBondContact O-N 3.48Å; T445-S449 WeakPolarHBondContact O-CB 3.19Å; T445-S449 PolarHBondContact O-N 3.24Å |
| 446 | A | 51.5 | Low | 48.1 | Very low | 51 Ų | 51 | 109 Ų | 109 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.3 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S442 E443 N450 | S442-A446 WeakPolarHBondContact O-CB 3.41Å; S442-A446 PolarHBondContact O-N 2.9Å; S442-A446 VanDerWaalsContact O-N 3.13Å; E443-A446 PolarHBondContact O-N 3.08Å; A446-N450 PolarHBondContact O-N 2.77Å; A446-N450 VanDerWaalsContact O-N 3.13Å; A446-N450 PolarHBondContact O-ND2 2.82Å |
| 447 | Q | 52.4 | Low | 48.9 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.8 | -39 | 173.9 | -86.1 | -174.5 | -20.2 | 0 | 0 | 112.5 | E443 N450 L451 | E443-Q447 PolarHBondContact O-N 3.42Å; Q447-N450 PolarHBondContact O-N 2.88Å; Q447-L451 WeakPolarHBondContact O-CB 3.5Å; Q447-L451 PolarHBondContact O-N 3.41Å |
| 448 | Q | 48.2 | Very low | 49.6 | Very low | 138 Ų | 138 | 110.3 Ų | 110.3 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.2 | -35.6 | 179 | -165.9 | 159.8 | -10.3 | 0 | 0 | 112.1 | K444 T452 | K444-Q448 WeakPolarHBondContact O-CB 3.42Å; K444-Q448 PolarHBondContact O-N 2.94Å; Q448-T452 WeakPolarHBondContact O-CB 3.47Å; Q448-T452 PolarHBondContact O-N 2.88Å; Q448-T452 PolarHBondContact O-OG1 3.21Å |
| 449 | S | 52.5 | Low | 50.3 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.8 | -48.9 | 168.9 | 165.8 | 0 | 0 | 0 | 0 | 112.4 | T445 T452 T453 | T445-S449 WeakPolarHBondContact O-CB 3.19Å; T445-S449 PolarHBondContact O-N 3.24Å; S449-T452 PolarHBondContact O-N 2.96Å; S449-T453 WeakPolarHBondContact O-CB 3.14Å; S449-T453 PolarHBondContact O-N 2.81Å; S449-T453 PolarHBondContact O-OG1 2.95Å |
| 450 | N | 51.7 | Low | 50.7 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.3 | -36.3 | -178.7 | -77.4 | -24.2 | 0 | 0 | 0 | 113.3 | A446 Q447 K454 | A446-N450 PolarHBondContact O-N 2.77Å; A446-N450 VanDerWaalsContact O-N 3.13Å; A446-N450 PolarHBondContact O-ND2 2.82Å; Q447-N450 PolarHBondContact O-N 2.88Å; N450-K454 PolarHBondContact O-N 3.37Å |
| 451 | L | 51.1 | Low | 51.2 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.2 | -40.3 | 175.5 | -169.4 | 73.5 | 0 | 0 | 0 | 111.4 | Q447 T455 | Q447-L451 WeakPolarHBondContact O-CB 3.5Å; Q447-L451 PolarHBondContact O-N 3.41Å; L451-T455 PolarHBondContact O-N 3.41Å; L451-T455 PolarHBondContact O-OG1 2.85Å |
| 452 | T | 49.2 | Very low | 51.8 | Low | 76 Ų | 76 | 111.7 Ų | 111.7 | 47% | 0.466 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.7 | -40.7 | 177 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | Q448 S449 T455 I456 | Q448-T452 WeakPolarHBondContact O-CB 3.47Å; Q448-T452 PolarHBondContact O-N 2.88Å; Q448-T452 PolarHBondContact O-OG1 3.21Å; S449-T452 PolarHBondContact O-N 2.96Å; T452-T455 PolarHBondContact O-N 3.3Å; T452-I456 HydrophobicContact CG2-CD1 4.05Å; T452-I456 VanDerWaalsContact O-CG1 3.3Å; T452-I456 WeakPolarHBondContact O-CG1 3.43Å; T452-I456 PolarHBondContact O-N 3.13Å |
| 453 | T | 50.1 | Low | 52.3 | Low | 71 Ų | 71 | 116 Ų | 116 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.7 | -44.5 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 112 | S449 T455 I456 E457 | S449-T453 WeakPolarHBondContact O-CB 3.14Å; S449-T453 PolarHBondContact O-N 2.81Å; S449-T453 PolarHBondContact O-OG1 2.95Å; T453-T455 VanDerWaalsContact C-N 3.32Å; T453-T455 PolarHBondContact O-N 2.83Å; T453-I456 PolarHBondContact O-N 3.13Å; T453-E457 PolarHBondContact O-N 3.35Å |
| 454 | K | 52.7 | Low | 52.6 | Low | 148 Ų | 148 | 112.8 Ų | 112.8 | 64% | 0.643 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62 | -37.4 | 173.7 | -83.7 | -175.7 | 175.6 | 178.7 | 0 | 112.9 | N450 E457 V458 | N450-K454 PolarHBondContact O-N 3.37Å; K454-E457 PolarHBondContact O-N 3.21Å; K454-V458 VanDerWaalsContact O-CG2 3.26Å; K454-V458 WeakPolarHBondContact O-CG2 3.27Å; K454-V458 PolarHBondContact O-N 2.82Å |
| 455 | T | 52.1 | Low | 53.1 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 46% | 0.46 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.1 | -34.9 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | L451 T452 T453 N459 | L451-T455 PolarHBondContact O-N 3.41Å; L451-T455 PolarHBondContact O-OG1 2.85Å; T452-T455 PolarHBondContact O-N 3.3Å; T453-T455 VanDerWaalsContact C-N 3.32Å; T453-T455 PolarHBondContact O-N 2.83Å; T455-N459 WeakPolarHBondContact O-CB 3.43Å; T455-N459 PolarHBondContact O-N 3.32Å; T455-N459 VanDerWaalsContact O-N 3.11Å; T455-N459 PolarHBondContact O-ND2 3.39Å |
| 456 | I | 56.2 | Low | 53.9 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 56% | 0.559 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.7 | -42.2 | 174.4 | -67.2 | 167.3 | 0 | 0 | 0 | 110.9 | T452 T453 N459 K460 | T452-I456 HydrophobicContact CG2-CD1 4.05Å; T452-I456 VanDerWaalsContact O-CG1 3.3Å; T452-I456 WeakPolarHBondContact O-CG1 3.43Å; T452-I456 PolarHBondContact O-N 3.13Å; T453-I456 PolarHBondContact O-N 3.13Å; I456-N459 PolarHBondContact O-N 3.5Å; I456-K460 WeakPolarHBondContact O-CB 3.34Å; I456-K460 PolarHBondContact O-N 3.39Å |
| 457 | E | 52.8 | Low | 54.7 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -44.3 | 175.9 | -80.4 | -168.7 | 150.8 | 0 | 0 | 112.8 | T453 K454 N459 K460 H461 | T453-E457 PolarHBondContact O-N 3.35Å; K454-E457 PolarHBondContact O-N 3.21Å; E457-N459 VanDerWaalsContact C-N 3.33Å; E457-N459 PolarHBondContact O-N 3.24Å; E457-K460 PolarHBondContact O-N 3.13Å; E457-H461 PolarHBondContact O-N 3.41Å |
| 458 | V | 55.2 | Low | 55.6 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | K454 H461 K462 | K454-V458 VanDerWaalsContact O-CG2 3.26Å; K454-V458 WeakPolarHBondContact O-CG2 3.27Å; K454-V458 PolarHBondContact O-N 2.82Å; V458-H461 PolarHBondContact O-N 3.31Å; V458-K462 WeakPolarHBondContact O-CB 3.22Å; V458-K462 PolarHBondContact O-N 3.29Å |
| 459 | N | 56.3 | Low | 56.9 | Low | 95 Ų | 95 | 118.1 Ų | 118.1 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.8 | -31.8 | 176.2 | -84.7 | -31 | 0 | 0 | 0 | 113.1 | T455 I456 E457 K463 | T455-N459 WeakPolarHBondContact O-CB 3.43Å; T455-N459 PolarHBondContact O-N 3.32Å; T455-N459 VanDerWaalsContact O-N 3.11Å; T455-N459 PolarHBondContact O-ND2 3.39Å; I456-N459 PolarHBondContact O-N 3.5Å; E457-N459 VanDerWaalsContact C-N 3.33Å; E457-N459 PolarHBondContact O-N 3.24Å; N459-K463 PolarHBondContact O-N 3.45Å |
| 460 | K | 53.3 | Low | 58 | Low | 164 Ų | 164 | 118.5 Ų | 118.5 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.6 | -41 | 173 | -158.2 | 175.6 | -175.8 | -179.5 | 0 | 111 | I456 E457 K463 S464 | I456-K460 WeakPolarHBondContact O-CB 3.34Å; I456-K460 PolarHBondContact O-N 3.39Å; E457-K460 PolarHBondContact O-N 3.13Å; K460-K463 PolarHBondContact O-N 3.37Å; K460-S464 WeakPolarHBondContact O-CB 3.4Å; K460-S464 PolarHBondContact O-N 3.18Å |
| 461 | H | 53.7 | Low | 59.3 | Low | 151 Ų | 151 | 115.8 Ų | 115.8 | 70% | 0.699 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -39.3 | 176.3 | -141.7 | -78.7 | 0 | 0 | 0 | 112.3 | E457 V458 S464 S465 | E457-H461 PolarHBondContact O-N 3.41Å; V458-H461 PolarHBondContact O-N 3.31Å; H461-S464 PolarHBondContact O-N 2.75Å; H461-S465 PolarHBondContact O-N 2.94Å; H461-S465 VanDerWaalsContact O-N 3.07Å |
| 462 | K | 56.2 | Low | 60.7 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -38.6 | 177.1 | -136.8 | 175.7 | -174.3 | -179.6 | 0 | 112.5 | V458 S465 W466 | V458-K462 WeakPolarHBondContact O-CB 3.22Å; V458-K462 PolarHBondContact O-N 3.29Å; K462-S465 PolarHBondContact O-N 2.88Å; K462-W466 PolarHBondContact O-N 2.9Å |
| 463 | K | 56.1 | Low | 62.3 | Low | 166 Ų | 166 | 113.6 Ų | 113.6 | 72% | 0.722 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | 172.8 | -83.7 | -175.9 | 176.3 | -179.5 | 0 | 112.5 | N459 K460 W466 Y467 | N459-K463 PolarHBondContact O-N 3.45Å; K460-K463 PolarHBondContact O-N 3.37Å; K463-W466 PolarHBondContact O-N 2.78Å; K463-Y467 PolarHBondContact O-N 2.92Å |
| 464 | S | 57 | Low | 63.9 | Low | 77 Ų | 77 | 115 Ų | 115 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -38.2 | 176.7 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | K460 H461 W466 Y467 L468 | K460-S464 WeakPolarHBondContact O-CB 3.4Å; K460-S464 PolarHBondContact O-N 3.18Å; H461-S464 PolarHBondContact O-N 2.75Å; S464-W466 VanDerWaalsContact C-N 3.34Å; S464-Y467 PolarHBondContact O-N 2.94Å; S464-L468 PolarHBondContact O-N 3.38Å |
| 465 | S | 58.1 | Low | 65.5 | Low | 60 Ų | 60 | 111.4 Ų | 111.4 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 176.9 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | H461 K462 L468 Y469 | H461-S465 PolarHBondContact O-N 2.94Å; H461-S465 VanDerWaalsContact O-N 3.07Å; K462-S465 PolarHBondContact O-N 2.88Å; S465-L468 PolarHBondContact O-N 3.06Å; S465-Y469 WeakPolarHBondContact O-CD2 3.23Å; S465-Y469 PolarHBondContact O-N 2.89Å |
| 466 | W | 66.1 | Low | 67.2 | Low | 182 Ų | 182 | 111.6 Ų | 111.6 | 69% | 0.689 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 178 | -165.7 | 50 | 0 | 0 | 0 | 112 | K462 K463 S464 I470 | K462-W466 PolarHBondContact O-N 2.9Å; K463-W466 PolarHBondContact O-N 2.78Å; S464-W466 VanDerWaalsContact C-N 3.34Å; W466-I470 VanDerWaalsContact CD1-CD1 3.47Å; W466-I470 WeakPolarHBondContact O-CB 3.25Å; W466-I470 PolarHBondContact O-N 3.17Å; W466-I470 VanDerWaalsContact O-N 3.07Å |
| 467 | Y | 67.2 | Low | 68.5 | Low | 152 Ų | 152 | 109.2 Ų | 109.2 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | I | π-helix | trans | -63.2 | -45.1 | 174.8 | -167.1 | -93.6 | 0 | 0 | 0 | 111.8 | K463 S464 Y469 V471 | K463-Y467 PolarHBondContact O-N 2.92Å; S464-Y467 PolarHBondContact O-N 2.94Å; Y467-Y469 PolarHBondContact O-N 2.86Å; Y467-V471 HydrophobicContact CD2-CB 4.11Å; Y467-V471 HydrophobicContact CD2-CG1 4.43Å; Y467-V471 HydrophobicContact CD2-CG2 3.63Å; Y467-V471 HydrophobicContact CE2-CB 4.13Å; Y467-V471 HydrophobicContact CE2-CG1 3.94Å; Y467-V471 HydrophobicContact CE2-CG2 3.91Å; Y467-V471 HydrophobicContact CG-CB 4.33Å; Y467-V471 HydrophobicContact CG-CG2 4.13Å; Y467-V471 VanDerWaalsContact O-CB 3.27Å; Y467-V471 WeakPolarHBondContact O-CB 3.35Å; Y467-V471 PolarHBondContact O-N 2.95Å |
| 468 | L | 71.3 | Confident | 70.2 | Confident | 104 Ų | 104 | 107.4 Ų | 107.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | I | π-helix | trans | -65.1 | -40 | -177.9 | -148.1 | 92.7 | 0 | 0 | 0 | 113 | S464 S465 I472 | S464-L468 PolarHBondContact O-N 3.38Å; S465-L468 PolarHBondContact O-N 3.06Å; L468-I472 HydrophobicContact CD1-CD1 3.97Å; L468-I472 HydrophobicContact CG-CD1 3.86Å; L468-I472 WeakPolarHBondContact O-CB 3.48Å; L468-I472 WeakPolarHBondContact O-CD1 3.41Å; L468-I472 WeakPolarHBondContact O-CG1 3.49Å |
| 469 | Y | 75.3 | Confident | 71.7 | Confident | 174 Ų | 174 | 110 Ų | 110 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | I | π-helix | trans | -91.2 | -20 | -174.6 | -82.3 | -83.6 | 0 | 0 | 0 | 115 | S465 Y467 P473 | S465-Y469 WeakPolarHBondContact O-CD2 3.23Å; S465-Y469 PolarHBondContact O-N 2.89Å; Y467-Y469 PolarHBondContact O-N 2.86Å; Y469-P473 WeakPolarHBondContact O-CD 3.4Å; Y469-P473 VanDerWaalsContact O-CG 3.28Å; Y469-P473 WeakPolarHBondContact O-CG 3.31Å |
| 470 | I | 77.5 | Confident | 73.2 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | I | π-helix | trans | -108.7 | -44.9 | -179.4 | -57.4 | -151.1 | 0 | 0 | 0 | 112.2 | W466 L474 | W466-I470 VanDerWaalsContact CD1-CD1 3.47Å; W466-I470 WeakPolarHBondContact O-CB 3.25Å; W466-I470 PolarHBondContact O-N 3.17Å; W466-I470 VanDerWaalsContact O-N 3.07Å; I470-L474 HydrophobicContact CG2-CD1 4.01Å; I470-L474 WeakPolarHBondContact O-CB 3.45Å; I470-L474 PolarHBondContact O-N 2.81Å |
| 471 | V | 77.4 | Confident | 74.9 | Confident | 49 Ų | 49 | 108.1 Ų | 108.1 | 30% | 0.297 | 54% | 0.537 | S | S | . | . | I | π-helix | trans | -74.1 | -40.9 | -173.6 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | Y467 L474 V475 | Y467-V471 HydrophobicContact CD2-CB 4.11Å; Y467-V471 HydrophobicContact CD2-CG1 4.43Å; Y467-V471 HydrophobicContact CD2-CG2 3.63Å; Y467-V471 HydrophobicContact CE2-CB 4.13Å; Y467-V471 HydrophobicContact CE2-CG1 3.94Å; Y467-V471 HydrophobicContact CE2-CG2 3.91Å; Y467-V471 HydrophobicContact CG-CB 4.33Å; Y467-V471 HydrophobicContact CG-CG2 4.13Å; Y467-V471 VanDerWaalsContact O-CB 3.27Å; Y467-V471 WeakPolarHBondContact O-CB 3.35Å; Y467-V471 PolarHBondContact O-N 2.95Å; V471-L474 PolarHBondContact O-N 2.89Å; V471-V475 HydrophobicContact CG1-CG2 4.08Å; V471-V475 VanDerWaalsContact O-CG2 3.27Å; V471-V475 WeakPolarHBondContact O-CG2 3.23Å; V471-V475 PolarHBondContact O-N 2.76Å |
| 472 | I | 80.1 | Confident | 76.5 | Confident | 80 Ų | 80 | 107 Ų | 107 | 41% | 0.41 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | -179.9 | -56.8 | 179.9 | 0 | 0 | 0 | 111.5 | L468 L474 V475 V476 | L468-I472 HydrophobicContact CD1-CD1 3.97Å; L468-I472 HydrophobicContact CG-CD1 3.86Å; L468-I472 WeakPolarHBondContact O-CB 3.48Å; L468-I472 WeakPolarHBondContact O-CD1 3.41Å; L468-I472 WeakPolarHBondContact O-CG1 3.49Å; I472-L474 VanDerWaalsContact C-N 3.31Å; I472-L474 PolarHBondContact O-N 2.79Å; I472-V475 PolarHBondContact O-N 3.15Å; I472-V476 HydrophobicContact CG2-CG2 4.23Å; I472-V476 WeakPolarHBondContact O-CB 3.3Å; I472-V476 VanDerWaalsContact O-CG2 3.26Å; I472-V476 WeakPolarHBondContact O-CG2 3.43Å; I472-V476 PolarHBondContact O-N 2.79Å |
| 473 | P | 83.8 | Confident | 78.1 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 177 | -26.2 | 37.8 | 0 | 0 | 0 | 113.7 | Y469 S477 | Y469-P473 WeakPolarHBondContact O-CD 3.4Å; Y469-P473 VanDerWaalsContact O-CG 3.28Å; Y469-P473 WeakPolarHBondContact O-CG 3.31Å; P473-S477 WeakPolarHBondContact O-CB 3.47Å; P473-S477 PolarHBondContact O-N 2.83Å |
| 474 | L | 84.6 | Confident | 79.6 | Confident | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.3 | -91.2 | 166.8 | 0 | 0 | 0 | 112 | I470 V471 I472 S477 L478 | I470-L474 HydrophobicContact CG2-CD1 4.01Å; I470-L474 WeakPolarHBondContact O-CB 3.45Å; I470-L474 PolarHBondContact O-N 2.81Å; V471-L474 PolarHBondContact O-N 2.89Å; I472-L474 VanDerWaalsContact C-N 3.31Å; I472-L474 PolarHBondContact O-N 2.79Å; L474-S477 PolarHBondContact O-N 2.78Å; L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 3.38Å |
| 475 | V | 85.5 | Confident | 81.1 | Confident | 72 Ų | 72 | 96.5 Ų | 96.5 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V471 I472 L478 F479 | V471-V475 HydrophobicContact CG1-CG2 4.08Å; V471-V475 VanDerWaalsContact O-CG2 3.27Å; V471-V475 WeakPolarHBondContact O-CG2 3.23Å; V471-V475 PolarHBondContact O-N 2.76Å; I472-V475 PolarHBondContact O-N 3.15Å; V475-L478 PolarHBondContact O-N 2.83Å; V475-F479 HydrophobicContact CG1-CD2 4.37Å; V475-F479 PolarHBondContact O-N 3.45Å |
| 476 | V | 86.8 | Confident | 82.4 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I472 L478 F479 L480 | I472-V476 HydrophobicContact CG2-CG2 4.23Å; I472-V476 WeakPolarHBondContact O-CB 3.3Å; I472-V476 VanDerWaalsContact O-CG2 3.26Å; I472-V476 WeakPolarHBondContact O-CG2 3.43Å; I472-V476 PolarHBondContact O-N 2.79Å; V476-L478 PolarHBondContact O-N 3.15Å; V476-F479 PolarHBondContact O-N 3.37Å; V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 WeakPolarHBondContact O-CG 3.5Å; V476-L480 PolarHBondContact O-N 3.28Å |
| 477 | S | 85 | Confident | 83.4 | Confident | 60 Ų | 60 | 96 Ų | 96 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | P473 L474 L480 I481 | P473-S477 WeakPolarHBondContact O-CB 3.47Å; P473-S477 PolarHBondContact O-N 2.83Å; L474-S477 PolarHBondContact O-N 2.78Å; S477-L480 PolarHBondContact O-N 2.9Å; S477-I481 VanDerWaalsContact O-CG1 3.29Å; S477-I481 WeakPolarHBondContact O-CG1 2.85Å; S477-I481 PolarHBondContact O-N 3.15Å; S477-I481 VanDerWaalsContact O-N 3.08Å |
| 478 | L | 87.2 | Confident | 84.2 | Confident | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.7 | -73.5 | 170.2 | 0 | 0 | 0 | 111.1 | L474 V475 V476 L480 I481 F482 | L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 3.38Å; V475-L478 PolarHBondContact O-N 2.83Å; V476-L478 PolarHBondContact O-N 3.15Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L478-L480 PolarHBondContact O-N 3.36Å; L478-I481 PolarHBondContact O-N 3.23Å; L478-F482 WeakPolarHBondContact O-CD2 3.44Å; L478-F482 PolarHBondContact O-N 3.42Å |
| 479 | F | 86.4 | Confident | 84.7 | Confident | 149 Ų | 149 | 96.3 Ų | 96.3 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 176.3 | -110.5 | -85.3 | 0 | 0 | 0 | 112.6 | V475 V476 I481 F482 V483 | V475-F479 HydrophobicContact CG1-CD2 4.37Å; V475-F479 PolarHBondContact O-N 3.45Å; V476-F479 PolarHBondContact O-N 3.37Å; F479-I481 PolarHBondContact O-N 3.38Å; F479-F482 PolarHBondContact O-N 3.1Å; F479-V483 VanDerWaalsContact O-CG2 3.32Å; F479-V483 WeakPolarHBondContact O-CG2 3.43Å; F479-V483 PolarHBondContact O-N 2.83Å |
| 480 | L | 88.7 | Confident | 84.9 | Confident | 121 Ų | 121 | 94 Ų | 94 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 177.6 | -69.4 | 174.7 | 0 | 0 | 0 | 112.4 | V476 S477 L478 G484 | V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 WeakPolarHBondContact O-CG 3.5Å; V476-L480 PolarHBondContact O-N 3.28Å; S477-L480 PolarHBondContact O-N 2.9Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L478-L480 PolarHBondContact O-N 3.36Å; L480-G484 PolarHBondContact O-N 2.67Å |
| 481 | I | 88.1 | Confident | 85.1 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.7 | -67.8 | 164.7 | 0 | 0 | 0 | 110.3 | S477 L478 F479 G484 C485 | S477-I481 VanDerWaalsContact O-CG1 3.29Å; S477-I481 WeakPolarHBondContact O-CG1 2.85Å; S477-I481 PolarHBondContact O-N 3.15Å; S477-I481 VanDerWaalsContact O-N 3.08Å; L478-I481 PolarHBondContact O-N 3.23Å; F479-I481 PolarHBondContact O-N 3.38Å; I481-G484 PolarHBondContact O-N 2.87Å; I481-C485 PolarHBondContact O-N 3.17Å; I481-C485 PolarHBondContact O-SG 2.78Å; I481-C485 VanDerWaalsContact O-SG 3.4Å |
| 482 | F | 88.7 | Confident | 84.8 | Confident | 127 Ų | 127 | 95.4 Ų | 95.4 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 177.6 | -86 | -72.7 | 0 | 0 | 0 | 111.9 | L478 F479 G484 C485 F486 | L478-F482 WeakPolarHBondContact O-CD2 3.44Å; L478-F482 PolarHBondContact O-N 3.42Å; F479-F482 PolarHBondContact O-N 3.1Å; F482-G484 VanDerWaalsContact C-N 3.31Å; F482-G484 PolarHBondContact O-N 3.23Å; F482-C485 PolarHBondContact O-N 3.07Å; F482-F486 HydrophobicContact CD1-CE2 4.47Å; F482-F486 WeakPolarHBondContact O-CD2 3.25Å; F482-F486 PolarHBondContact O-N 2.87Å |
| 483 | V | 90.2 | Very high | 84.6 | Confident | 75 Ų | 75 | 100.3 Ų | 100.3 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | F479 C485 F486 I487 | F479-V483 VanDerWaalsContact O-CG2 3.32Å; F479-V483 WeakPolarHBondContact O-CG2 3.43Å; F479-V483 PolarHBondContact O-N 2.83Å; V483-C485 PolarHBondContact O-N 2.52Å; V483-F486 PolarHBondContact O-N 3.01Å; V483-I487 HydrophobicContact CG1-CD1 3.76Å; V483-I487 HydrophobicContact CG1-CG1 4.43Å; V483-I487 VanDerWaalsContact O-CG1 3.26Å; V483-I487 WeakPolarHBondContact O-CG1 3.11Å; V483-I487 PolarHBondContact O-N 2.79Å |
| 484 | G | 87.5 | Confident | 83.7 | Confident | 38 Ų | 38 | 102 Ų | 102 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L480 I481 F482 I487 W488 | L480-G484 PolarHBondContact O-N 2.67Å; I481-G484 PolarHBondContact O-N 2.87Å; F482-G484 VanDerWaalsContact C-N 3.31Å; F482-G484 PolarHBondContact O-N 3.23Å; G484-I487 PolarHBondContact O-N 3.48Å; G484-W488 WeakPolarHBondContact O-CB 3.24Å; G484-W488 PolarHBondContact O-N 2.86Å |
| 485 | C | 88 | Confident | 82.5 | Confident | 66 Ų | 66 | 105.9 Ų | 105.9 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.8 | -74 | 0 | 0 | 0 | 0 | 112.4 | I481 F482 V483 W488 I489 | I481-C485 PolarHBondContact O-N 3.17Å; I481-C485 PolarHBondContact O-SG 2.78Å; I481-C485 VanDerWaalsContact O-SG 3.4Å; F482-C485 PolarHBondContact O-N 3.07Å; V483-C485 PolarHBondContact O-N 2.52Å; C485-W488 PolarHBondContact O-N 2.79Å; C485-I489 VanDerWaalsContact O-CG1 3.28Å; C485-I489 WeakPolarHBondContact O-CG1 3.3Å; C485-I489 PolarHBondContact O-N 2.76Å |
| 486 | F | 85.7 | Confident | 81 | Confident | 144 Ų | 144 | 110.1 Ų | 110.1 | 63% | 0.632 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.3 | -84.3 | -71.3 | 0 | 0 | 0 | 111.9 | F482 V483 I489 W490 | F482-F486 HydrophobicContact CD1-CE2 4.47Å; F482-F486 WeakPolarHBondContact O-CD2 3.25Å; F482-F486 PolarHBondContact O-N 2.87Å; V483-F486 PolarHBondContact O-N 3.01Å; F486-I489 PolarHBondContact O-N 3.2Å; F486-W490 WeakPolarHBondContact O-CB 3.25Å; F486-W490 PolarHBondContact O-N 3.47Å |
| 487 | I | 86.9 | Confident | 79.6 | Confident | 86 Ų | 86 | 112 Ų | 112 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | -66.9 | 167.1 | 0 | 0 | 0 | 110.4 | V483 G484 W490 I491 | V483-I487 HydrophobicContact CG1-CD1 3.76Å; V483-I487 HydrophobicContact CG1-CG1 4.43Å; V483-I487 VanDerWaalsContact O-CG1 3.26Å; V483-I487 WeakPolarHBondContact O-CG1 3.11Å; V483-I487 PolarHBondContact O-N 2.79Å; G484-I487 PolarHBondContact O-N 3.48Å; I487-W490 PolarHBondContact O-N 2.86Å; I487-I491 HydrophobicContact CG2-CD1 3.74Å; I487-I491 HydrophobicContact CG2-CG1 4.37Å; I487-I491 VanDerWaalsContact O-CG1 3.31Å; I487-I491 WeakPolarHBondContact O-CG1 3.21Å; I487-I491 PolarHBondContact O-N 2.99Å |
| 488 | W | 83.3 | Confident | 78.1 | Confident | 173 Ų | 173 | 113.1 Ų | 113.1 | 66% | 0.655 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.5 | -51.7 | 176.2 | -174.5 | -49.6 | 0 | 0 | 0 | 111.3 | G484 C485 W490 I491 N492 | G484-W488 WeakPolarHBondContact O-CB 3.24Å; G484-W488 PolarHBondContact O-N 2.86Å; C485-W488 PolarHBondContact O-N 2.79Å; W488-W490 PolarHBondContact O-N 2.83Å; W488-I491 PolarHBondContact O-N 2.84Å; W488-N492 PolarHBondContact NE1-ND2 2.82Å; W488-N492 WeakPolarHBondContact O-CB 3.3Å; W488-N492 PolarHBondContact O-N 3.49Å |
| 489 | I | 82.9 | Confident | 76.4 | Confident | 91 Ų | 91 | 112.3 Ų | 112.3 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | -179.6 | -70.3 | 167 | 0 | 0 | 0 | 110.4 | C485 F486 N492 R493 | C485-I489 VanDerWaalsContact O-CG1 3.28Å; C485-I489 WeakPolarHBondContact O-CG1 3.3Å; C485-I489 PolarHBondContact O-N 2.76Å; F486-I489 PolarHBondContact O-N 3.2Å; I489-N492 PolarHBondContact O-N 3.13Å; I489-R493 WeakPolarHBondContact O-CB 3.06Å; I489-R493 WeakPolarHBondContact O-CG 3.3Å; I489-R493 PolarHBondContact O-N 2.9Å |
| 490 | W | 79.3 | Confident | 74.5 | Confident | 124 Ų | 124 | 110.9 Ų | 110.9 | 47% | 0.47 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 178.7 | -167 | 78.6 | 0 | 0 | 0 | 112.4 | W26 F30 F486 I487 W488 R493 K494 | W26-W490 AromaticContact CZ2-CZ3 3.83Å; W26-W490 HydrophobicContact CZ2-CZ3 3.83Å; F30-W490 AromaticContact CE1-CH2 3.86Å; F30-W490 HydrophobicContact CE1-CH2 3.86Å; F30-W490 HydrophobicContact CE1-CZ2 4.25Å; F30-W490 AromaticContact CZ-CH2 3.64Å; F30-W490 HydrophobicContact CZ-CH2 3.64Å; F30-W490 HydrophobicContact CZ-CZ2 4.46Å; F486-W490 WeakPolarHBondContact O-CB 3.25Å; F486-W490 PolarHBondContact O-N 3.47Å; I487-W490 PolarHBondContact O-N 2.86Å; W488-W490 PolarHBondContact O-N 2.83Å; W490-R493 PolarHBondContact O-N 3.27Å; W490-K494 PolarHBondContact O-N 3.45Å; W490-K494 VanDerWaalsContact O-N 3.07Å |
| 491 | I | 81.1 | Confident | 72.7 | Confident | 64 Ų | 64 | 108.7 Ų | 108.7 | 33% | 0.328 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 173.9 | -68.9 | 171 | 0 | 0 | 0 | 110.7 | I487 W488 R493 K494 W495 | I487-I491 HydrophobicContact CG2-CD1 3.74Å; I487-I491 HydrophobicContact CG2-CG1 4.37Å; I487-I491 VanDerWaalsContact O-CG1 3.31Å; I487-I491 WeakPolarHBondContact O-CG1 3.21Å; I487-I491 PolarHBondContact O-N 2.99Å; W488-I491 PolarHBondContact O-N 2.84Å; I491-R493 VanDerWaalsContact C-N 3.31Å; I491-R493 PolarHBondContact O-N 3.04Å; I491-K494 WeakPolarHBondContact O-CA 3.32Å; I491-K494 WeakPolarHBondContact O-CB 3.42Å; I491-K494 PolarHBondContact O-N 2.8Å; I491-W495 VanDerWaalsContact O-CD1 3.32Å; I491-W495 PolarHBondContact O-N 3.35Å |
| 492 | N | 71.4 | Confident | 70.8 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | -180 | -96.3 | 7.9 | 0 | 0 | 0 | 112.7 | W488 I489 K494 K496 | W488-N492 PolarHBondContact NE1-ND2 2.82Å; W488-N492 WeakPolarHBondContact O-CB 3.3Å; W488-N492 PolarHBondContact O-N 3.49Å; I489-N492 PolarHBondContact O-N 3.13Å; N492-K494 VanDerWaalsContact C-N 3.34Å; N492-K496 PolarHBondContact O-N 2.77Å |
| 493 | R | 74.6 | Confident | 68.7 | Low | 184 Ų | 184 | 113.8 Ų | 113.8 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -39.3 | 171.6 | -77.2 | -179.7 | 172.1 | -179.1 | -1.8 | 111.4 | I489 W490 I491 I497 | I489-R493 WeakPolarHBondContact O-CB 3.06Å; I489-R493 WeakPolarHBondContact O-CG 3.3Å; I489-R493 PolarHBondContact O-N 2.9Å; W490-R493 PolarHBondContact O-N 3.27Å; I491-R493 VanDerWaalsContact C-N 3.31Å; I491-R493 PolarHBondContact O-N 3.04Å; R493-I497 WeakPolarHBondContact O-CG1 3.21Å; R493-I497 PolarHBondContact O-N 2.67Å |
| 494 | K | 66.4 | Low | 66.5 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 47% | 0.465 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -43.3 | 177.7 | -158.5 | 174 | -177.8 | 175.9 | 0 | 112.3 | W490 I491 N492 K496 I497 T498 | W490-K494 PolarHBondContact O-N 3.45Å; W490-K494 VanDerWaalsContact O-N 3.07Å; I491-K494 WeakPolarHBondContact O-CA 3.32Å; I491-K494 WeakPolarHBondContact O-CB 3.42Å; I491-K494 PolarHBondContact O-N 2.8Å; N492-K494 VanDerWaalsContact C-N 3.34Å; K494-K496 PolarHBondContact O-N 2.69Å; K494-I497 WeakPolarHBondContact O-CB 2.82Å; K494-I497 PolarHBondContact O-N 2.9Å; K494-I497 VanDerWaalsContact O-N 3.09Å; K494-T498 PolarHBondContact O-N 3.14Å; K494-T498 VanDerWaalsContact O-N 3.1Å; K494-T498 PolarHBondContact O-OG1 2.76Å |
| 495 | W | 58 | Low | 64.4 | Low | 184 Ų | 184 | 118.7 Ų | 118.7 | 70% | 0.697 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.1 | -34.6 | 178.1 | -84.8 | 80.2 | 0 | 0 | 0 | 113.8 | I491 I497 T498 S499 | I491-W495 VanDerWaalsContact O-CD1 3.32Å; I491-W495 PolarHBondContact O-N 3.35Å; W495-I497 VanDerWaalsContact C-N 3.27Å; W495-I497 PolarHBondContact O-N 2.93Å; W495-T498 PolarHBondContact O-N 3.36Å; W495-S499 PolarHBondContact O-N 2.87Å; W495-S499 VanDerWaalsContact O-N 3.13Å |
| 496 | K | 55.1 | Low | 62.2 | Low | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.5 | -29.5 | 173.1 | -81.5 | -173.4 | 176.2 | -176.9 | 0 | 112.7 | N492 K494 S499 L500 | N492-K496 PolarHBondContact O-N 2.77Å; K494-K496 PolarHBondContact O-N 2.69Å; K496-S499 PolarHBondContact O-OG 3.41Å; K496-L500 WeakPolarHBondContact O-CD1 3.22Å |
| 497 | I | 57.1 | Low | 60.3 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.3 | -39.6 | 175.9 | -62.5 | 167.1 | 0 | 0 | 0 | 110.2 | R493 K494 W495 S499 L500 C501 | R493-I497 WeakPolarHBondContact O-CG1 3.21Å; R493-I497 PolarHBondContact O-N 2.67Å; K494-I497 WeakPolarHBondContact O-CB 2.82Å; K494-I497 PolarHBondContact O-N 2.9Å; K494-I497 VanDerWaalsContact O-N 3.09Å; W495-I497 VanDerWaalsContact C-N 3.27Å; W495-I497 PolarHBondContact O-N 2.93Å; I497-S499 PolarHBondContact O-N 2.81Å; I497-L500 PolarHBondContact O-N 3.28Å; I497-C501 PolarHBondContact O-N 3.16Å |
| 498 | T | 52.7 | Low | 58.3 | Low | 83 Ų | 83 | 126.4 Ų | 126.4 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -32.3 | 179.4 | -18.2 | 0 | 0 | 0 | 0 | 113.3 | K494 W495 C501 H502 | K494-T498 PolarHBondContact O-N 3.14Å; K494-T498 VanDerWaalsContact O-N 3.1Å; K494-T498 PolarHBondContact O-OG1 2.76Å; W495-T498 PolarHBondContact O-N 3.36Å; T498-C501 PolarHBondContact O-N 2.96Å; T498-H502 PolarHBondContact O-N 2.93Å |
| 499 | S | 52.7 | Low | 56.5 | Low | 77 Ų | 77 | 125.3 Ų | 125.3 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.6 | -25.5 | 178.3 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | W495 K496 I497 | W495-S499 PolarHBondContact O-N 2.87Å; W495-S499 VanDerWaalsContact O-N 3.13Å; K496-S499 PolarHBondContact O-OG 3.41Å; I497-S499 PolarHBondContact O-N 2.81Å |
| 500 | L | 46.6 | Very low | 54.2 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.8 | -32.4 | 169.8 | -93.1 | 114.7 | 0 | 0 | 0 | 112.2 | K496 I497 H502 K503 N504 | K496-L500 WeakPolarHBondContact O-CD1 3.22Å; I497-L500 PolarHBondContact O-N 3.28Å; L500-H502 PolarHBondContact O-N 2.63Å; L500-K503 PolarHBondContact O-N 2.86Å; L500-N504 PolarHBondContact O-N 2.94Å |
| 501 | C | 50.3 | Low | 52 | Low | 74 Ų | 74 | 133.4 Ų | 133.4 | 50% | 0.5 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67 | -35.1 | 176.7 | -91.6 | 0 | 0 | 0 | 0 | 113.7 | I497 T498 K503 N504 F505 | I497-C501 PolarHBondContact O-N 3.16Å; T498-C501 PolarHBondContact O-N 2.96Å; C501-K503 PolarHBondContact O-N 2.78Å; C501-N504 PolarHBondContact O-N 2.75Å; C501-F505 PolarHBondContact O-N 3.15Å |
| 502 | H | 48 | Very low | 50.6 | Low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.6 | -13.8 | -178.9 | -147.1 | -75.4 | 0 | 0 | 0 | 113.5 | T498 L500 | T498-H502 PolarHBondContact O-N 2.93Å; L500-H502 PolarHBondContact O-N 2.63Å |
| 503 | K | 44.3 | Very low | 49.5 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -92.4 | -33.9 | 173.5 | -88.8 | -177.2 | 174.9 | -178.1 | 0 | 113.6 | L500 C501 | L500-K503 PolarHBondContact O-N 2.86Å; C501-K503 PolarHBondContact O-N 2.78Å |
| 504 | N | 45.3 | Very low | 48.1 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.6 | -21.1 | -179.1 | -76.6 | -13.1 | 0 | 0 | 0 | 113.9 | L500 C501 R506 V507 | L500-N504 PolarHBondContact O-N 2.94Å; C501-N504 PolarHBondContact O-N 2.75Å; N504-R506 VanDerWaalsContact C-N 3.29Å; N504-R506 PolarHBondContact O-N 2.82Å; N504-V507 PolarHBondContact O-N 3.24Å |
| 505 | F | 42.5 | Very low | 47 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 45% | 0.447 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -16.1 | 179 | -139.3 | -101 | 0 | 0 | 0 | 114 | C501 V507 Y509 | C501-F505 PolarHBondContact O-N 3.15Å; F505-V507 VanDerWaalsContact C-N 3.31Å; F505-Y509 HydrophobicContact CD1-CD2 4.31Å; F505-Y509 AromaticContact CD1-CE2 3.77Å; F505-Y509 HydrophobicContact CD1-CE2 3.77Å; F505-Y509 HydrophobicContact CE1-CD2 4.24Å; F505-Y509 AromaticContact CE1-CE2 3.3Å; F505-Y509 HydrophobicContact CE1-CE2 3.3Å; F505-Y509 AromaticContact CE1-CZ 3.93Å; F505-Y509 AromaticContact CZ-CE2 3.77Å; F505-Y509 HydrophobicContact CZ-CE2 3.77Å |
| 506 | R | 41.2 | Very low | 46.3 | Very low | 220 Ų | 220 | 135.9 Ų | 135.9 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -10.5 | 174.1 | -98.7 | -166.9 | -161.9 | -171.5 | 5 | 114.4 | N504 | N504-R506 VanDerWaalsContact C-N 3.29Å; N504-R506 PolarHBondContact O-N 2.82Å |
| 507 | V | 47.3 | Very low | 45.7 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -14.9 | -171.5 | -174.3 | 0 | 0 | 0 | 0 | 112.7 | N504 F505 | N504-V507 PolarHBondContact O-N 3.24Å; F505-V507 VanDerWaalsContact C-N 3.31Å |
| 508 | N | 44.2 | Very low | 44.9 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -103.4 | 10.8 | -176.7 | -78.5 | -23.7 | 0 | 0 | 0 | 115.3 | ||
| 509 | Y | 45.6 | Very low | 44.3 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | trans | -119.5 | 65.4 | 172.8 | -71.7 | -89.6 | 0 | 0 | 0 | 110.2 | F505 | F505-Y509 HydrophobicContact CD1-CD2 4.31Å; F505-Y509 AromaticContact CD1-CE2 3.77Å; F505-Y509 HydrophobicContact CD1-CE2 3.77Å; F505-Y509 HydrophobicContact CE1-CD2 4.24Å; F505-Y509 AromaticContact CE1-CE2 3.3Å; F505-Y509 HydrophobicContact CE1-CE2 3.3Å; F505-Y509 AromaticContact CE1-CZ 3.93Å; F505-Y509 AromaticContact CZ-CE2 3.77Å; F505-Y509 HydrophobicContact CZ-CE2 3.77Å | ||
| 510 | S | 34.2 | Very low | 43.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | trans | -141.9 | 93.2 | 159.9 | -78.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 511 | F | 33.7 | Very low | 43.3 | Very low | 278 Ų | 278 | 146.9 Ų | 146.9 | 100% | 1.219 | 71% | 0.708 | S | S | * | * | trans | -138.2 | 0 | 165 | -89.5 | -75.3 | 0 | 0 | 0 | 108 |
Retrieved 511 of 511 residues in 605.1 ms
(Link to these results)