| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 44.5 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 100% | 1.227 | 75% | 0.746 | S | S | * | * | 0 | 107.9 | 0 | -74 | -169.3 | 161.2 | 0 | 0 | 108.7 | |||||
| 2 | S | 34.3 | Very low | 46 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -124.5 | 105.1 | 172.3 | 70.7 | 0 | 0 | 0 | 0 | 108.7 | R4 | S2-R4 PolarHBondContact O-N 2.83Š| ||
| 3 | V | 34 | Very low | 47.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -76.1 | 104.1 | 175.2 | 180 | 0 | 0 | 0 | 0 | 107.6 | Y5 | V3-Y5 HydrophobicContact CG1-CD2 4.27Å; V3-Y5 HydrophobicContact CG1-CE2 4.15Å; V3-Y5 PolarHBondContact O-N 3.16Å | ||
| 4 | R | 36 | Very low | 48.5 | Very low | 225 Ų | 225 | 136.4 Ų | 136.4 | 85% | 0.849 | 68% | 0.679 | S | S | * | * | trans | -77.1 | 106.1 | 168.5 | -75.5 | -177.6 | 179 | 171.6 | -0.2 | 108 | S2 T6 | S2-R4 PolarHBondContact O-N 2.83Å; R4-T6 PolarHBondContact O-N 2.8Å; R4-T6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | Y | 42.8 | Very low | 49.5 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 83% | 0.827 | 67% | 0.666 | S | S | * | * | trans | -65.8 | 109.4 | 169.4 | -82.6 | -92.4 | 0 | 0 | 0 | 109.4 | V3 L7 | V3-Y5 HydrophobicContact CG1-CD2 4.27Å; V3-Y5 HydrophobicContact CG1-CE2 4.15Å; V3-Y5 PolarHBondContact O-N 3.16Å; Y5-L7 PolarHBondContact O-N 3.42Å | ||
| 6 | T | 43.5 | Very low | 50.9 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 64% | 0.642 | S | S | * | * | trans | -78 | 96.5 | 169.3 | 42.2 | 0 | 0 | 0 | 0 | 108.7 | R4 N8 | R4-T6 PolarHBondContact O-N 2.8Å; R4-T6 VanDerWaalsContact O-N 3.16Å; T6-N8 PolarHBondContact O-N 2.97Å; T6-N8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | L | 46.7 | Very low | 52 | Low | 115 Ų | 115 | 124.3 Ų | 124.3 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | trans | -57.1 | 114.2 | 172.7 | -110.4 | 148.1 | 0 | 0 | 0 | 109.5 | Y5 L9 F12 | Y5-L7 PolarHBondContact O-N 3.42Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.17Å; L7-F12 HydrophobicContact CD2-CB 4Å; L7-F12 HydrophobicContact CD2-CD2 3.33Å; L7-F12 HydrophobicContact CD2-CE2 3.89Å; L7-F12 HydrophobicContact CD2-CG 3.74Å | ||
| 8 | N | 52.3 | Low | 53 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | trans | -72.8 | 90.2 | -179.2 | -156.1 | -27.2 | 0 | 0 | 0 | 109.3 | T6 K10 V11 F12 | T6-N8 PolarHBondContact O-N 2.97Å; T6-N8 VanDerWaalsContact O-N 3.1Å; N8-K10 PolarHBondContact O-N 3.18Å; N8-V11 PolarHBondContact O-N 3.38Å; N8-F12 PolarHBondContact O-N 3.44Å; N8-F12 VanDerWaalsContact O-N 3.12Å | ||
| 9 | L | 53.2 | Low | 53.8 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -55.1 | -19.3 | -176.1 | -74.4 | 155 | 0 | 0 | 0 | 113.6 | L7 V11 | L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.17Å; L9-V11 VanDerWaalsContact C-N 3.32Å |
| 10 | K | 55 | Low | 54.3 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 73% | 0.726 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.8 | -27.9 | 174.4 | -70.3 | -176.7 | 178 | 174.4 | 0 | 113.3 | N8 P14 | N8-K10 PolarHBondContact O-N 3.18Å; K10-P14 WeakPolarHBondContact O-CD 3.44Å; K10-P14 WeakPolarHBondContact O-CG 3.43Å |
| 11 | V | 55.4 | Low | 55.1 | Low | 88 Ų | 88 | 114.8 Ų | 114.8 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -106 | -33.8 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 111 | N8 L9 W13 P14 V15 | N8-V11 PolarHBondContact O-N 3.38Å; L9-V11 VanDerWaalsContact C-N 3.32Å; V11-W13 PolarHBondContact O-N 3.36Å; V11-P14 WeakPolarHBondContact O-CD 3.41Å; V11-V15 HydrophobicContact CG1-CG2 4.08Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.24Å; V11-V15 PolarHBondContact O-N 3.34Å |
| 12 | F | 62.8 | Low | 56.6 | Low | 83 Ų | 83 | 105.6 Ų | 105.6 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.3 | -49.5 | -177.7 | -178 | -105.3 | 0 | 0 | 0 | 113.1 | L7 N8 V15 V16 | L7-F12 HydrophobicContact CD2-CB 4Å; L7-F12 HydrophobicContact CD2-CD2 3.33Å; L7-F12 HydrophobicContact CD2-CE2 3.89Å; L7-F12 HydrophobicContact CD2-CG 3.74Å; N8-F12 PolarHBondContact O-N 3.44Å; N8-F12 VanDerWaalsContact O-N 3.12Å; F12-V15 PolarHBondContact O-N 3.08Å; F12-V16 HydrophobicContact CD1-CG2 4.31Å; F12-V16 HydrophobicContact CD2-CG2 4.28Å; F12-V16 HydrophobicContact CE1-CG2 4Å; F12-V16 HydrophobicContact CE2-CG2 3.97Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.83Å; F12-V16 VanDerWaalsContact O-CG2 3.26Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 3.1Å |
| 13 | W | 62.5 | Low | 58.2 | Low | 119 Ų | 119 | 105.6 Ų | 105.6 | 45% | 0.451 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -43.5 | -175.6 | -70.8 | 110.3 | 0 | 0 | 0 | 114.3 | V11 V15 V16 T17 | V11-W13 PolarHBondContact O-N 3.36Å; W13-V15 VanDerWaalsContact C-N 3.29Å; W13-V15 PolarHBondContact O-N 2.85Å; W13-V16 PolarHBondContact O-N 2.72Å; W13-T17 WeakPolarHBondContact O-CG2 3.49Å; W13-T17 PolarHBondContact O-N 3.39Å; W13-T17 PolarHBondContact O-OG1 3.39Å |
| 14 | P | 64.9 | Low | 59.9 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 173 | -26.5 | 34.4 | 0 | 0 | 0 | 113.1 | K10 V11 T17 G18 | K10-P14 WeakPolarHBondContact O-CD 3.44Å; K10-P14 WeakPolarHBondContact O-CG 3.43Å; V11-P14 WeakPolarHBondContact O-CD 3.41Å; P14-T17 VanDerWaalsContact CA-OG1 3.31Å; P14-T17 WeakPolarHBondContact CA-OG1 3.46Å; P14-T17 PolarHBondContact O-N 3.01Å; P14-T17 PolarHBondContact O-OG1 3.44Å; P14-G18 PolarHBondContact O-N 2.8Å |
| 15 | V | 63.9 | Low | 61.4 | Low | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | V11 F12 W13 T17 G18 L19 | V11-V15 HydrophobicContact CG1-CG2 4.08Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.24Å; V11-V15 PolarHBondContact O-N 3.34Å; F12-V15 PolarHBondContact O-N 3.08Å; W13-V15 VanDerWaalsContact C-N 3.29Å; W13-V15 PolarHBondContact O-N 2.85Å; V15-T17 PolarHBondContact O-N 3.18Å; V15-G18 PolarHBondContact O-N 2.7Å; V15-L19 HydrophobicContact CG1-CD1 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 PolarHBondContact O-N 3.15Å |
| 16 | V | 71.2 | Confident | 62.6 | Low | 47 Ų | 47 | 92 Ų | 92 | 29% | 0.285 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | F12 W13 G18 L19 C20 | F12-V16 HydrophobicContact CD1-CG2 4.31Å; F12-V16 HydrophobicContact CD2-CG2 4.28Å; F12-V16 HydrophobicContact CE1-CG2 4Å; F12-V16 HydrophobicContact CE2-CG2 3.97Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.83Å; F12-V16 VanDerWaalsContact O-CG2 3.26Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 3.1Å; W13-V16 PolarHBondContact O-N 2.72Å; V16-G18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.45Å; V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 2.97Å; V16-C20 PolarHBondContact O-SG 3.29Å |
| 17 | T | 69.8 | Low | 63.9 | Low | 76 Ų | 76 | 91.7 Ų | 91.7 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 176.8 | 48.9 | 0 | 0 | 0 | 0 | 112 | W13 P14 V15 T21 | W13-T17 WeakPolarHBondContact O-CG2 3.49Å; W13-T17 PolarHBondContact O-N 3.39Å; W13-T17 PolarHBondContact O-OG1 3.39Å; P14-T17 VanDerWaalsContact CA-OG1 3.31Å; P14-T17 WeakPolarHBondContact CA-OG1 3.46Å; P14-T17 PolarHBondContact O-N 3.01Å; P14-T17 PolarHBondContact O-OG1 3.44Å; V15-T17 PolarHBondContact O-N 3.18Å; T17-T21 WeakPolarHBondContact O-CG2 3.4Å; T17-T21 PolarHBondContact O-N 3.27Å; T17-T21 PolarHBondContact O-OG1 2.69Å |
| 18 | G | 69.3 | Low | 64.9 | Low | 33 Ų | 33 | 91.8 Ų | 91.8 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P14 V15 V16 T21 A22 | P14-G18 PolarHBondContact O-N 2.8Å; V15-G18 PolarHBondContact O-N 2.7Å; V16-G18 PolarHBondContact O-N 2.83Å; G18-T21 WeakPolarHBondContact CA-OG1 3.37Å; G18-T21 PolarHBondContact O-N 3.32Å; G18-T21 PolarHBondContact O-OG1 2.87Å; G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 3.29Å |
| 19 | L | 68.1 | Low | 65.6 | Low | 105 Ų | 105 | 89.4 Ų | 89.4 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 179.8 | -130.6 | 140.7 | 0 | 0 | 0 | 112 | V15 V16 A22 L23 | V15-L19 HydrophobicContact CG1-CD1 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 PolarHBondContact O-N 3.15Å; V16-L19 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 2.82Å; L19-L23 HydrophobicContact CD2-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.17Å; L19-L23 PolarHBondContact O-N 3.25Å |
| 20 | C | 64.1 | Low | 66 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 48% | 0.48 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | V16 A22 L23 V24 | V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 2.97Å; V16-C20 PolarHBondContact O-SG 3.29Å; C20-A22 VanDerWaalsContact C-N 3.35Å; C20-A22 PolarHBondContact O-N 2.9Å; C20-L23 PolarHBondContact O-N 2.91Å; C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 3Å |
| 21 | T | 71.8 | Confident | 66.1 | Low | 89 Ų | 89 | 88.7 Ų | 88.7 | 55% | 0.546 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.7 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | T17 G18 V24 C25 | T17-T21 WeakPolarHBondContact O-CG2 3.4Å; T17-T21 PolarHBondContact O-N 3.27Å; T17-T21 PolarHBondContact O-OG1 2.69Å; G18-T21 WeakPolarHBondContact CA-OG1 3.37Å; G18-T21 PolarHBondContact O-N 3.32Å; G18-T21 PolarHBondContact O-OG1 2.87Å; T21-V24 PolarHBondContact O-N 3.15Å; T21-C25 PolarHBondContact O-N 3.37Å; T21-C25 PolarHBondContact O-SG 2.87Å |
| 22 | A | 67.2 | Low | 66.1 | Low | 55 Ų | 55 | 88.3 Ų | 88.3 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G18 L19 C20 C25 L26 | G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 2.82Å; C20-A22 VanDerWaalsContact C-N 3.35Å; C20-A22 PolarHBondContact O-N 2.9Å; A22-C25 PolarHBondContact O-N 3.07Å; A22-L26 WeakPolarHBondContact O-CB 3.03Å; A22-L26 PolarHBondContact O-N 3.16Å |
| 23 | L | 68.3 | Low | 65.5 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.5 | -80 | 164.1 | 0 | 0 | 0 | 112.7 | L19 C20 L26 Y27 | L19-L23 HydrophobicContact CD2-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.17Å; L19-L23 PolarHBondContact O-N 3.25Å; C20-L23 PolarHBondContact O-N 2.91Å; L23-L26 PolarHBondContact O-N 3.27Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.3Å; L23-Y27 PolarHBondContact O-N 3.37Å |
| 24 | V | 68.6 | Low | 64.9 | Low | 79 Ų | 79 | 91 Ų | 91 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | C20 T21 L26 Y27 H28 | C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 3Å; T21-V24 PolarHBondContact O-N 3.15Å; V24-L26 VanDerWaalsContact C-N 3.35Å; V24-Y27 PolarHBondContact O-N 3.14Å; V24-H28 PolarHBondContact O-CD2 2.75Å; V24-H28 PolarHBondContact O-N 3.07Å |
| 25 | C | 68.5 | Low | 64.1 | Low | 86 Ų | 86 | 90.4 Ų | 90.4 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 173.6 | -68.7 | 0 | 0 | 0 | 0 | 112 | T21 A22 H28 A29 | T21-C25 PolarHBondContact O-N 3.37Å; T21-C25 PolarHBondContact O-SG 2.87Å; A22-C25 PolarHBondContact O-N 3.07Å; C25-H28 PolarHBondContact O-N 2.75Å; C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 2.89Å |
| 26 | L | 68.1 | Low | 63.3 | Low | 107 Ų | 107 | 90.7 Ų | 90.7 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 178.3 | -150 | 94 | 0 | 0 | 0 | 111.4 | A22 L23 V24 H28 A29 L30 | A22-L26 WeakPolarHBondContact O-CB 3.03Å; A22-L26 PolarHBondContact O-N 3.16Å; L23-L26 PolarHBondContact O-N 3.27Å; V24-L26 VanDerWaalsContact C-N 3.35Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.99Å; L26-A29 PolarHBondContact O-N 2.98Å; L26-L30 HydrophobicContact CD2-CD1 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.38Å |
| 27 | Y | 70.8 | Confident | 62 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 51% | 0.506 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.8 | -41.4 | 175.7 | 179.3 | -104.2 | 0 | 0 | 0 | 111.6 | L23 V24 R31 | L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.3Å; L23-Y27 PolarHBondContact O-N 3.37Å; V24-Y27 PolarHBondContact O-N 3.14Å; Y27-R31 VanDerWaalsContact O-CB 3.29Å; Y27-R31 WeakPolarHBondContact O-CB 3.42Å; Y27-R31 PolarHBondContact O-N 3.01Å; Y27-R31 PolarHBondContact OH-NH1 3.37Å |
| 28 | H | 66.3 | Low | 60.6 | Low | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.9 | -37.4 | 176.1 | -82.4 | -64.6 | 0 | 0 | 0 | 113.1 | V24 C25 L26 R31 S32 | V24-H28 PolarHBondContact O-CD2 2.75Å; V24-H28 PolarHBondContact O-N 3.07Å; C25-H28 PolarHBondContact O-N 2.75Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.99Å; H28-R31 PolarHBondContact O-N 2.91Å; H28-S32 WeakPolarHBondContact O-CB 3.44Å; H28-S32 PolarHBondContact O-N 3.37Å; H28-S32 PolarHBondContact O-OG 3.37Å; H28-S32 VanDerWaalsContact O-OG 3.1Å |
| 29 | A | 66.9 | Low | 59 | Low | 56 Ų | 56 | 108.7 Ų | 108.7 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.1 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C25 L26 S32 S33 | C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 2.89Å; L26-A29 PolarHBondContact O-N 2.98Å; A29-S32 WeakPolarHBondContact CA-OG 3.08Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-OG 3.35Å; A29-S33 PolarHBondContact O-N 3Å; A29-S33 VanDerWaalsContact O-N 3.15Å |
| 30 | L | 61.5 | Low | 57.5 | Low | 108 Ų | 108 | 109 Ų | 109 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.1 | -40.7 | 177.3 | -70.1 | 166.6 | 0 | 0 | 0 | 111.5 | L26 S33 E34 | L26-L30 HydrophobicContact CD2-CD1 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.38Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 VanDerWaalsContact O-N 3.16Å; L30-E34 PolarHBondContact O-N 3.42Å |
| 31 | R | 58.1 | Low | 57.1 | Low | 155 Ų | 155 | 110.6 Ų | 110.6 | 59% | 0.585 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.9 | -28.9 | 178.2 | -154.7 | 175.1 | -175.1 | -178.8 | 3.2 | 113.4 | Y27 H28 S33 E34 G35 | Y27-R31 VanDerWaalsContact O-CB 3.29Å; Y27-R31 WeakPolarHBondContact O-CB 3.42Å; Y27-R31 PolarHBondContact O-N 3.01Å; Y27-R31 PolarHBondContact OH-NH1 3.37Å; H28-R31 PolarHBondContact O-N 2.91Å; R31-S33 VanDerWaalsContact C-N 3.29Å; R31-E34 PolarHBondContact O-N 3.06Å; R31-G35 PolarHBondContact O-N 2.91Å |
| 32 | S | 54.7 | Low | 55.3 | Low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.1 | -26.3 | 169.3 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | H28 A29 | H28-S32 WeakPolarHBondContact O-CB 3.44Å; H28-S32 PolarHBondContact O-N 3.37Å; H28-S32 PolarHBondContact O-OG 3.37Å; H28-S32 VanDerWaalsContact O-OG 3.1Å; A29-S32 WeakPolarHBondContact CA-OG 3.08Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-OG 3.35Å |
| 33 | S | 50.8 | Low | 53.7 | Low | 91 Ų | 91 | 115 Ų | 115 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.8 | -28.7 | 175.6 | -168.1 | 0 | 0 | 0 | 0 | 112.6 | A29 L30 R31 | A29-S33 PolarHBondContact O-N 3Å; A29-S33 VanDerWaalsContact O-N 3.15Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 VanDerWaalsContact O-N 3.16Å; R31-S33 VanDerWaalsContact C-N 3.29Å |
| 34 | E | 49 | Very low | 52.8 | Low | 167 Ų | 167 | 114.7 Ų | 114.7 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.3 | -19.7 | 175.5 | -73 | -174.2 | 154.7 | 0 | 0 | 113.4 | L30 R31 | L30-E34 PolarHBondContact O-N 3.42Å; R31-E34 PolarHBondContact O-N 3.06Å |
| 35 | G | 49.5 | Very low | 51.6 | Low | 62 Ų | 62 | 117.7 Ų | 117.7 | 64% | 0.639 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -4.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R31 R37 | R31-G35 PolarHBondContact O-N 2.91Å; G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å |
| 36 | A | 46.2 | Very low | 50.5 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | -92.6 | 36.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 37 | R | 44.8 | Very low | 49.4 | Very low | 245 Ų | 245 | 116 Ų | 116 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -141.9 | 57.3 | 173.8 | -143.2 | -177.8 | -161.9 | -178.7 | 4.6 | 112.6 | G35 | G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å |
| 38 | A | 40.1 | Very low | 48.5 | Very low | 90 Ų | 90 | 116.2 Ų | 116.2 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -171.6 | 112.1 | 149 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 39 | E | 35.6 | Very low | 48.2 | Very low | 200 Ų | 200 | 114.6 Ų | 114.6 | 94% | 0.935 | 70% | 0.695 | S | S | * | * | trans | 37.9 | 136.2 | 151.3 | -64.6 | -179.7 | 160.3 | 0 | 0 | 123.2 | ||||
| 40 | S | 35.6 | Very low | 47.6 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -93.2 | -175.9 | 170.4 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 41 | P | 56.3 | Low | 47.3 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | cis | -131.3 | -172.3 | -15.2 | 26.3 | -2.1 | 0 | 0 | 0 | 112.9 | ||||
| 42 | D | 34.5 | Very low | 47.5 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | trans | 99.5 | 132.9 | 163.3 | -64.5 | -15.2 | 0 | 0 | 0 | 119 | ||||
| 43 | G | 34.5 | Very low | 47.8 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | 108.9 | 101.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D45 | G43-D45 PolarHBondContact O-N 2.71Š| ||
| 44 | A | 47.8 | Very low | 48.3 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | trans | -32 | 124 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 45 | D | 44.1 | Very low | 49.2 | Very low | 143 Ų | 143 | 111.3 Ų | 111.3 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -179.9 | 66.9 | 143.6 | -94.9 | -17.6 | 0 | 0 | 0 | 111.7 | G43 G47 | G43-D45 PolarHBondContact O-N 2.71Å; D45-G47 VanDerWaalsContact C-N 3.26Å; D45-G47 PolarHBondContact O-N 2.88Å | ||
| 46 | S | 44.6 | Very low | 50.2 | Low | 111 Ų | 111 | 113.8 Ų | 113.8 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 32.7 | 171.2 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 47 | G | 46.6 | Very low | 51.1 | Low | 47 Ų | 47 | 115.5 Ų | 115.5 | 49% | 0.485 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -18.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D45 L51 | D45-G47 VanDerWaalsContact C-N 3.26Å; D45-G47 PolarHBondContact O-N 2.88Å; G47-L51 PolarHBondContact O-N 2.98Å |
| 48 | F | 51.3 | Low | 52 | Low | 132 Ų | 132 | 108.9 Ų | 108.9 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.9 | -28.8 | -173.6 | -102.3 | -88.2 | 0 | 0 | 0 | 117.4 | K52 | F48-K52 WeakPolarHBondContact O-CG 3.33Å; F48-K52 PolarHBondContact O-N 2.66Å |
| 49 | P | 59.3 | Low | 53.4 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 53% | 0.532 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.8 | -36.5 | 179.2 | 26.9 | -29.4 | 0 | 0 | 0 | 112.7 | K52 V53 | P49-K52 PolarHBondContact O-N 3.5Å; P49-V53 WeakPolarHBondContact O-CG2 3.46Å; P49-V53 PolarHBondContact O-N 3.39Å; P49-V53 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 54.3 | Low | 54.9 | Low | 134 Ų | 134 | 101 Ų | 101 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.8 | -38 | 177.3 | -83.2 | 164.9 | 0 | 0 | 0 | 112.3 | K52 V53 A54 | L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.27Å; L50-V53 PolarHBondContact O-N 2.76Å; L50-A54 VanDerWaalsContact O-CB 3.29Å; L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 3.24Å |
| 51 | L | 56.1 | Low | 56.5 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.4 | -41.7 | 174.7 | -167.7 | 81.7 | 0 | 0 | 0 | 111.2 | G47 A54 I55 | G47-L51 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 2.96Å; L51-I55 HydrophobicContact CD2-CD1 4.23Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.11Å |
| 52 | K | 61.3 | Low | 56.9 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.4 | -40.2 | 177.2 | -76.8 | 177.2 | 177.7 | 173.1 | 0 | 112.4 | F48 P49 L50 I55 L56 | F48-K52 WeakPolarHBondContact O-CG 3.33Å; F48-K52 PolarHBondContact O-N 2.66Å; P49-K52 PolarHBondContact O-N 3.5Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.27Å; K52-I55 PolarHBondContact O-N 2.71Å; K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 WeakPolarHBondContact O-CG 3.42Å; K52-L56 PolarHBondContact O-N 2.94Å |
| 53 | V | 62.3 | Low | 58.5 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.3 | -40.9 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | P49 L50 L56 L57 | P49-V53 WeakPolarHBondContact O-CG2 3.46Å; P49-V53 PolarHBondContact O-N 3.39Å; P49-V53 VanDerWaalsContact O-N 3.09Å; L50-V53 PolarHBondContact O-N 2.76Å; V53-L56 PolarHBondContact O-N 2.85Å; V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.27Å |
| 54 | A | 60.9 | Low | 60 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L50 L51 L57 L58 | L50-A54 VanDerWaalsContact O-CB 3.29Å; L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 3.24Å; L51-A54 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 PolarHBondContact O-N 3.26Å |
| 55 | I | 67.4 | Low | 60.9 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 175.7 | -69.6 | 164.5 | 0 | 0 | 0 | 110.8 | L51 K52 L58 L59 | L51-I55 HydrophobicContact CD2-CD1 4.23Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.11Å; K52-I55 PolarHBondContact O-N 2.71Å; I55-L58 PolarHBondContact O-N 3.36Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.47Å; I55-L59 PolarHBondContact O-N 3.5Å |
| 56 | L | 70.5 | Confident | 61.5 | Low | 113 Ų | 113 | 99.4 Ų | 99.4 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -39 | 176.3 | -77.9 | 168.9 | 0 | 0 | 0 | 112.4 | K52 V53 L59 G60 | K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 WeakPolarHBondContact O-CG 3.42Å; K52-L56 PolarHBondContact O-N 2.94Å; V53-L56 PolarHBondContact O-N 2.85Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-G60 PolarHBondContact O-N 3.31Å |
| 57 | L | 66.1 | Low | 62.3 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68 | -38.9 | 174.3 | -73.9 | 171.4 | 0 | 0 | 0 | 111.8 | V53 A54 G60 Y61 | V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.27Å; A54-L57 PolarHBondContact O-N 3.06Å; L57-G60 PolarHBondContact O-N 3.34Å; L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 PolarHBondContact O-N 3.19Å |
| 58 | L | 63.8 | Low | 62.6 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 175.1 | -162.4 | 85.1 | 0 | 0 | 0 | 111 | A54 I55 G60 Y61 I62 | A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 PolarHBondContact O-N 3.26Å; I55-L58 PolarHBondContact O-N 3.36Å; L58-G60 VanDerWaalsContact C-N 3.35Å; L58-Y61 PolarHBondContact O-N 3.43Å; L58-I62 HydrophobicContact CD2-CD1 4.19Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CB 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.23Å; L58-I62 PolarHBondContact O-N 3.09Å |
| 59 | L | 68.9 | Low | 62.5 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.2 | -164.3 | 78 | 0 | 0 | 0 | 110.8 | I55 L56 I62 L63 | I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.47Å; I55-L59 PolarHBondContact O-N 3.5Å; L56-L59 PolarHBondContact O-N 2.95Å; L59-I62 PolarHBondContact O-N 3.43Å; L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.85Å |
| 60 | G | 67.8 | Low | 62.1 | Low | 28 Ų | 28 | 102 Ų | 102 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L56 L57 L58 L63 L64 | L56-G60 PolarHBondContact O-N 3.31Å; L57-G60 PolarHBondContact O-N 3.34Å; L58-G60 VanDerWaalsContact C-N 3.35Å; G60-L63 PolarHBondContact O-N 3.01Å; G60-L64 WeakPolarHBondContact O-CB 3.36Å; G60-L64 WeakPolarHBondContact O-CD1 3.4Å; G60-L64 PolarHBondContact O-N 3.37Å |
| 61 | Y | 68.3 | Low | 61.8 | Low | 133 Ų | 133 | 104.6 Ų | 104.6 | 52% | 0.522 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.9 | 179.6 | -98.8 | 0 | 0 | 0 | 112.2 | L57 L58 L64 R65 | L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 PolarHBondContact O-N 3.19Å; L58-Y61 PolarHBondContact O-N 3.43Å; Y61-L64 PolarHBondContact O-N 3.33Å; Y61-R65 WeakPolarHBondContact O-CB 3.42Å; Y61-R65 PolarHBondContact O-N 3.33Å |
| 62 | I | 64 | Low | 61.3 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 40% | 0.395 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.1 | -68.5 | 165.8 | 0 | 0 | 0 | 110.3 | L58 L59 L64 R65 C66 | L58-I62 HydrophobicContact CD2-CD1 4.19Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CB 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.23Å; L58-I62 PolarHBondContact O-N 3.09Å; L59-I62 PolarHBondContact O-N 3.43Å; I62-L64 PolarHBondContact O-N 3.1Å; I62-R65 CarbonylContact O-C 3.6Å; I62-R65 PolarHBondContact O-N 2.78Å; I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.33Å; I62-C66 PolarHBondContact O-N 3.34Å; I62-C66 PolarHBondContact O-SG 3.45Å; I62-C66 VanDerWaalsContact O-SG 3.39Å |
| 63 | L | 68.6 | Low | 60.5 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.3 | -72.9 | 171.2 | 0 | 0 | 0 | 111.9 | L59 G60 R67 | L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.85Å; G60-L63 PolarHBondContact O-N 3.01Å; L63-R67 VanDerWaalsContact O-CB 3.25Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.13Å; L63-R67 PolarHBondContact O-N 3.22Å |
| 64 | L | 67.2 | Low | 59.4 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 69% | 0.686 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 172.5 | -99.4 | 128.7 | 0 | 0 | 0 | 111.9 | G60 Y61 I62 R67 H68 | G60-L64 WeakPolarHBondContact O-CB 3.36Å; G60-L64 WeakPolarHBondContact O-CD1 3.4Å; G60-L64 PolarHBondContact O-N 3.37Å; Y61-L64 PolarHBondContact O-N 3.33Å; I62-L64 PolarHBondContact O-N 3.1Å; L64-R67 PolarHBondContact O-N 3.09Å; L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.5Å |
| 65 | R | 64.7 | Low | 58.3 | Low | 159 Ų | 159 | 116.6 Ų | 116.6 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.6 | -38.8 | 178.6 | -142.7 | -175.3 | -169.7 | -172.6 | 4.6 | 112.4 | Y61 I62 H68 T69 | Y61-R65 WeakPolarHBondContact O-CB 3.42Å; Y61-R65 PolarHBondContact O-N 3.33Å; I62-R65 CarbonylContact O-C 3.6Å; I62-R65 PolarHBondContact O-N 2.78Å; R65-H68 PolarHBondContact O-N 3.13Å; R65-T69 WeakPolarHBondContact O-CG2 3.33Å; R65-T69 PolarHBondContact O-N 3.38Å; R65-T69 PolarHBondContact O-OG1 3.2Å |
| 66 | C | 57 | Low | 56.8 | Low | 57 Ų | 57 | 118.1 Ų | 118.1 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -40.2 | 170.8 | -76.5 | 0 | 0 | 0 | 0 | 110.8 | I62 T69 I70 | I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.33Å; I62-C66 PolarHBondContact O-N 3.34Å; I62-C66 PolarHBondContact O-SG 3.45Å; I62-C66 VanDerWaalsContact O-SG 3.39Å; C66-T69 VanDerWaalsContact CA-OG1 3.25Å; C66-T69 WeakPolarHBondContact CA-OG1 3.37Å; C66-T69 PolarHBondContact O-N 3.01Å; C66-T69 PolarHBondContact O-OG1 3.48Å; C66-I70 WeakPolarHBondContact O-CB 3.38Å; C66-I70 WeakPolarHBondContact O-CD1 3.16Å; C66-I70 WeakPolarHBondContact O-CG1 2.79Å; C66-I70 PolarHBondContact O-N 3.47Å |
| 67 | R | 61.5 | Low | 55.1 | Low | 156 Ų | 156 | 116 Ų | 116 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -35.3 | 173.5 | -73.2 | 180 | 100.2 | 143.5 | 7 | 112.3 | L63 L64 R71 | L63-R67 VanDerWaalsContact O-CB 3.25Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.13Å; L63-R67 PolarHBondContact O-N 3.22Å; L64-R67 PolarHBondContact O-N 3.09Å; R67-R71 WeakPolarHBondContact O-CB 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å |
| 68 | H | 54.3 | Low | 53.4 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -40.7 | 174.4 | -167.1 | -77.4 | 0 | 0 | 0 | 111.8 | L64 R65 Q72 | L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.5Å; R65-H68 PolarHBondContact O-N 3.13Å; H68-Q72 PolarHBondContact CE1-NE2 3.44Å; H68-Q72 WeakPolarHBondContact O-CB 3.46Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.11Å |
| 69 | T | 48.4 | Very low | 51.9 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 39% | 0.393 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.8 | -38.1 | 176.8 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | R65 C66 Q72 R73 | R65-T69 WeakPolarHBondContact O-CG2 3.33Å; R65-T69 PolarHBondContact O-N 3.38Å; R65-T69 PolarHBondContact O-OG1 3.2Å; C66-T69 VanDerWaalsContact CA-OG1 3.25Å; C66-T69 WeakPolarHBondContact CA-OG1 3.37Å; C66-T69 PolarHBondContact O-N 3.01Å; C66-T69 PolarHBondContact O-OG1 3.48Å; T69-Q72 PolarHBondContact O-N 3.38Å; T69-R73 WeakPolarHBondContact O-CG 3.38Å; T69-R73 PolarHBondContact O-N 3.36Å |
| 70 | I | 51 | Low | 50.1 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | 173.6 | -69.9 | 167.4 | 0 | 0 | 0 | 110.8 | C66 Q72 R73 L74 | C66-I70 WeakPolarHBondContact O-CB 3.38Å; C66-I70 WeakPolarHBondContact O-CD1 3.16Å; C66-I70 WeakPolarHBondContact O-CG1 2.79Å; C66-I70 PolarHBondContact O-N 3.47Å; I70-Q72 VanDerWaalsContact C-N 3.35Å; I70-R73 CarbonylContact O-C 3.44Å; I70-R73 WeakPolarHBondContact O-CA 3.48Å; I70-R73 PolarHBondContact O-N 3Å; I70-L74 HydrophobicContact CG2-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CB 3.47Å; I70-L74 PolarHBondContact O-N 3.35Å |
| 71 | R | 48.3 | Very low | 48.5 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.1 | -28.8 | 174.6 | -162.1 | 179.3 | -168.2 | -171.8 | 4.3 | 112.7 | R67 R73 L75 | R67-R71 WeakPolarHBondContact O-CB 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R71-R73 VanDerWaalsContact C-N 3.31Å; R71-L75 PolarHBondContact O-N 3.44Å |
| 72 | Q | 45.4 | Very low | 46.9 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.4 | -21.6 | 166.9 | -76.7 | -172.8 | -22.4 | 0 | 0 | 113 | H68 T69 I70 | H68-Q72 PolarHBondContact CE1-NE2 3.44Å; H68-Q72 WeakPolarHBondContact O-CB 3.46Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.11Å; T69-Q72 PolarHBondContact O-N 3.38Å; I70-Q72 VanDerWaalsContact C-N 3.35Å |
| 73 | R | 44.7 | Very low | 45.3 | Very low | 217 Ų | 217 | 126.2 Ų | 126.2 | 82% | 0.819 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -91.5 | -12 | 173.5 | -72.8 | -177.2 | -171.1 | -178 | 3.2 | 114.9 | T69 I70 R71 | T69-R73 WeakPolarHBondContact O-CG 3.38Å; T69-R73 PolarHBondContact O-N 3.36Å; I70-R73 CarbonylContact O-C 3.44Å; I70-R73 WeakPolarHBondContact O-CA 3.48Å; I70-R73 PolarHBondContact O-N 3Å; R71-R73 VanDerWaalsContact C-N 3.31Å |
| 74 | L | 39.4 | Very low | 44 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -114.7 | 8.9 | -178.2 | -85.9 | 151.5 | 0 | 0 | 0 | 114.7 | I70 | I70-L74 HydrophobicContact CG2-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CB 3.47Å; I70-L74 PolarHBondContact O-N 3.35Å |
| 75 | L | 37.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 67% | 0.665 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -73.4 | 134.9 | 147.5 | -80 | 156.6 | 0 | 0 | 0 | 106.5 | R71 G77 | R71-L75 PolarHBondContact O-N 3.44Å; L75-G77 PolarHBondContact O-N 3.46Å |
| 76 | P | 35.8 | Very low | 41 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -65.5 | 96.1 | -168.6 | 26.5 | -33.1 | 0 | 0 | 0 | 110.4 | S78 | P76-S78 PolarHBondContact O-N 3.42Š| ||
| 77 | G | 34.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -70 | 108.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | L75 S79 | L75-G77 PolarHBondContact O-N 3.46Å; G77-S79 PolarHBondContact O-N 2.79Å | ||
| 78 | S | 30.9 | Very low | 38.5 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -57.6 | 103.4 | 171.9 | 57.7 | 0 | 0 | 0 | 0 | 108.7 | P76 R80 | P76-S78 PolarHBondContact O-N 3.42Å; S78-R80 PolarHBondContact O-N 3.21Å | ||
| 79 | S | 31.1 | Very low | 37.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -63.7 | 113.7 | 167.3 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | G77 | G77-S79 PolarHBondContact O-N 2.79Š| ||
| 80 | R | 32.1 | Very low | 37.1 | Very low | 235 Ų | 235 | 140.1 Ų | 140.1 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | -49.3 | 128.9 | 160.9 | -77.6 | 172.4 | 160.6 | 172.2 | -6.9 | 109.8 | S78 | S78-R80 PolarHBondContact O-N 3.21Š| ||
| 81 | P | 33.1 | Very low | 36.6 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 124 | 143.9 | 6.6 | 11.8 | 0 | 0 | 0 | 107 | G83 | P81-G83 VanDerWaalsContact C-N 3.34Å; P81-G83 PolarHBondContact O-N 2.92Å | ||
| 82 | C | 36.6 | Very low | 36.4 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 98.7 | 167.2 | -151.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 83 | G | 30.4 | Very low | 36.9 | Very low | 58 Ų | 58 | 143.3 Ų | 143.3 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | trans | -144.5 | 119.8 | 169 | 0 | 0 | 0 | 0 | 0 | 106.4 | P81 A85 | P81-G83 VanDerWaalsContact C-N 3.34Å; P81-G83 PolarHBondContact O-N 2.92Å; G83-A85 PolarHBondContact O-N 3.44Å | ||
| 84 | H | 40.8 | Very low | 37.8 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -54.5 | 106.3 | 179.9 | -75.1 | -78.7 | 0 | 0 | 0 | 110.8 | ||||
| 85 | A | 31.4 | Very low | 39.4 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 56% | 0.562 | 78% | 0.775 | S | S | * | * | trans | -151.1 | 119.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | G83 F87 | G83-A85 PolarHBondContact O-N 3.44Å; A85-F87 HydrophobicContact CB-CD2 4.29Å; A85-F87 HydrophobicContact CB-CE2 4.36Å; A85-F87 PolarHBondContact O-N 3.45Å | ||
| 86 | N | 37.5 | Very low | 41.6 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 94% | 0.941 | 76% | 0.761 | S | S | * | * | trans | -57.7 | 99 | 176.6 | -70.8 | -29.3 | 0 | 0 | 0 | 110.5 | ||||
| 87 | F | 31.2 | Very low | 44 | Very low | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | trans | -114 | 106.5 | 166.5 | -88.2 | -83.3 | 0 | 0 | 0 | 109.6 | A85 A89 | A85-F87 HydrophobicContact CB-CD2 4.29Å; A85-F87 HydrophobicContact CB-CE2 4.36Å; A85-F87 PolarHBondContact O-N 3.45Å; F87-A89 PolarHBondContact O-N 3.15Å | ||
| 88 | S | 35.4 | Very low | 46.4 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -44.9 | 119.5 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | R90 | S88-R90 PolarHBondContact O-N 2.96Š| ||
| 89 | A | 36.2 | Very low | 49.1 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 102.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F87 P91 | F87-A89 PolarHBondContact O-N 3.15Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å | ||
| 90 | R | 35.5 | Very low | 52 | Low | 233 Ų | 233 | 122.1 Ų | 122.1 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | trans | -63.8 | 122.9 | 162.1 | -90 | -175.4 | 171 | 179.1 | -2.1 | 107.4 | S88 L92 | S88-R90 PolarHBondContact O-N 2.96Å; R90-L92 PolarHBondContact O-N 3.46Å | ||
| 91 | P | 41.9 | Very low | 54.8 | Low | 113 Ų | 113 | 111 Ų | 111 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -60.9 | 136.7 | 172.9 | 25.3 | -31.4 | 0 | 0 | 0 | 108.5 | A89 Q93 | A89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-Q93 VanDerWaalsContact C-N 3.35Å; P91-Q93 PolarHBondContact O-N 3.4Å | ||
| 92 | L | 44.2 | Very low | 57.6 | Low | 180 Ų | 180 | 108.9 Ų | 108.9 | 94% | 0.942 | 61% | 0.609 | S | S | * | * | trans | -53.1 | 104.2 | 163.5 | -96.3 | 141.9 | 0 | 0 | 0 | 106.8 | R90 E94 | R90-L92 PolarHBondContact O-N 3.46Å; L92-E94 PolarHBondContact O-N 3.04Å | ||
| 93 | Q | 54.6 | Low | 60.2 | Low | 186 Ų | 186 | 104.3 Ų | 104.3 | 87% | 0.869 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.9 | -175.9 | -167.6 | 171.6 | 11.4 | 0 | 0 | 108.2 | P91 | P91-Q93 VanDerWaalsContact C-N 3.35Å; P91-Q93 PolarHBondContact O-N 3.4Å |
| 94 | E | 63.5 | Low | 63.1 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.1 | 177.9 | -66.6 | -163.5 | 173.2 | 0 | 0 | 109.4 | L92 G96 R508 | L92-E94 PolarHBondContact O-N 3.04Å; E94-G96 PolarHBondContact O-N 3.39Å; E94-R508 IonicContact OE2-CZ 2.82Å; E94-R508 IonicContact OE2-NH1 3.7Å; E94-R508 IonicContact OE2-NH2 2.96Å; E94-R508 PolarHBondContact OE2-NH2 2.76Å |
| 95 | P | 73.6 | Confident | 65.6 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 129.8 | 177 | 23.8 | -32.1 | 0 | 0 | 0 | 109.1 | I99 L100 | P95-I99 HydrophobicContact CB-CG2 4.46Å; P95-L100 HydrophobicContact CB-CD2 4.48Å; P95-L100 HydrophobicContact CG-CD2 4.05Å; P95-L100 HydrophobicContact CG-CG 4.42Å |
| 96 | G | 82.6 | Confident | 68.4 | Low | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 156.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E94 S98 I99 L100 | E94-G96 PolarHBondContact O-N 3.39Å; G96-S98 PolarHBondContact O-N 3.01Å; G96-I99 PolarHBondContact O-N 3.48Å; G96-L100 PolarHBondContact O-N 3.35Å |
| 97 | L | 86.4 | Confident | 70.9 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.6 | -36.1 | -178.9 | 176 | 61 | 0 | 0 | 0 | 112.7 | I99 L100 L101 L503 P504 L507 | L97-I99 PolarHBondContact O-N 2.99Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.04Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.9Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 2.67Å; L97-L503 HydrophobicContact CD1-CD2 4.08Å; L97-L503 HydrophobicContact CD1-CG 4.08Å; L97-P504 HydrophobicContact CD1-CG 4.22Å; L97-L507 HydrophobicContact CD1-CD1 3.99Å |
| 98 | S | 86.2 | Confident | 73.6 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 176.7 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | G96 L100 L101 E102 | G96-S98 PolarHBondContact O-N 3.01Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.46Å; S98-L101 WeakPolarHBondContact O-CB 3.28Å; S98-L101 PolarHBondContact O-N 2.9Å; S98-E102 WeakPolarHBondContact O-CG 3.49Å; S98-E102 PolarHBondContact O-N 3.46Å |
| 99 | I | 87.8 | Confident | 76.3 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 179.3 | -58.9 | 172.5 | 0 | 0 | 0 | 110.7 | P95 G96 L97 E102 S103 | P95-I99 HydrophobicContact CB-CG2 4.46Å; G96-I99 PolarHBondContact O-N 3.48Å; L97-I99 PolarHBondContact O-N 2.99Å; I99-E102 PolarHBondContact O-N 3.3Å; I99-S103 WeakPolarHBondContact O-CB 3.16Å; I99-S103 PolarHBondContact O-N 2.89Å |
| 100 | L | 90.8 | Very high | 79 | Confident | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.5 | -67.1 | 175 | 0 | 0 | 0 | 111.7 | P95 G96 L97 S98 Y104 P504 L507 R508 | P95-L100 HydrophobicContact CB-CD2 4.48Å; P95-L100 HydrophobicContact CG-CD2 4.05Å; P95-L100 HydrophobicContact CG-CG 4.42Å; G96-L100 PolarHBondContact O-N 3.35Å; L97-L100 PolarHBondContact O-N 3.26Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.46Å; L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.15Å; L100-Y104 PolarHBondContact O-N 2.84Å; L100-P504 HydrophobicContact CD1-CB 4.13Å; L100-L507 HydrophobicContact CB-CB 4.18Å; L100-L507 HydrophobicContact CB-CD1 3.86Å; L100-R508 HydrophobicContact CD1-CG 4.25Å; L100-R508 HydrophobicContact CD2-CG 3.98Å |
| 101 | L | 92.1 | Very high | 81.6 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177.3 | -78.5 | 171.1 | 0 | 0 | 0 | 111.7 | L97 S98 Y104 Y105 L378 L430 L434 L503 L507 | L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.04Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.9Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 2.67Å; S98-L101 WeakPolarHBondContact O-CB 3.28Å; S98-L101 PolarHBondContact O-N 2.9Å; L101-Y104 PolarHBondContact O-N 2.84Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.44Å; L101-L378 HydrophobicContact CD2-CD1 4.34Å; L101-L378 HydrophobicContact CD2-CD2 4.17Å; L101-L430 HydrophobicContact CB-CD2 4.36Å; L101-L434 HydrophobicContact CD1-CD2 4.35Å; L101-L434 HydrophobicContact CD2-CD2 4.07Å; L101-L503 HydrophobicContact CD2-CD2 4.23Å; L101-L507 HydrophobicContact CD2-CD1 3.69Å; L101-L507 HydrophobicContact CG-CD1 3.9Å |
| 102 | E | 91.1 | Very high | 83.8 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 176.6 | -75.2 | 175.7 | -177.5 | 0 | 0 | 111.7 | S98 I99 Y104 Y105 E106 L430 | S98-E102 WeakPolarHBondContact O-CG 3.49Å; S98-E102 PolarHBondContact O-N 3.46Å; I99-E102 PolarHBondContact O-N 3.3Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.45Å; E102-Y105 WeakPolarHBondContact O-CB 3.31Å; E102-Y105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 2.89Å; E102-L430 HydrophobicContact CG-CD2 4.41Å |
| 103 | S | 90.3 | Very high | 86 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | I99 Y105 E106 H107 | I99-S103 WeakPolarHBondContact O-CB 3.16Å; I99-S103 PolarHBondContact O-N 2.89Å; S103-Y105 VanDerWaalsContact C-N 3.32Å; S103-Y105 PolarHBondContact O-N 2.96Å; S103-E106 PolarHBondContact O-N 3.34Å; S103-H107 PolarHBondContact O-N 3.03Å; S103-H107 VanDerWaalsContact O-N 3.12Å; S103-H107 PolarHBondContact O-ND1 2.82Å |
| 104 | Y | 92.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.6 | -179.9 | -112.6 | 0 | 0 | 0 | 111.9 | L100 L101 E102 E108 V109 L378 A381 L385 L507 | L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.15Å; L100-Y104 PolarHBondContact O-N 2.84Å; L101-Y104 PolarHBondContact O-N 2.84Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.45Å; Y104-E108 HydrophobicContact CD2-CB 3.93Å; Y104-E108 HydrophobicContact CD2-CG 4.25Å; Y104-E108 HydrophobicContact CE2-CB 3.69Å; Y104-E108 HydrophobicContact CE2-CG 4.13Å; Y104-E108 PolarHBondContact O-N 3.18Å; Y104-V109 HydrophobicContact CD1-CG2 3.71Å; Y104-V109 HydrophobicContact CE1-CG2 3.51Å; Y104-V109 PolarHBondContact O-N 2.91Å; Y104-L378 HydrophobicContact CD1-CD2 4.02Å; Y104-A381 HydrophobicContact CE1-CB 3.8Å; Y104-L385 HydrophobicContact CE1-CD1 4.38Å; Y104-L507 HydrophobicContact CD1-CD2 3.49Å; Y104-L507 VanDerWaalsContact CD1-CD2 3.49Å; Y104-L507 HydrophobicContact CD2-CD2 4.08Å; Y104-L507 HydrophobicContact CE1-CD2 4.03Å; Y104-L507 HydrophobicContact CG-CD2 3.51Å |
| 105 | Y | 93.2 | Very high | 88.9 | Confident | 27 Ų | 27 | 52 Ų | 52 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -59.6 | -53.1 | 176.7 | 178.1 | -100.4 | 0 | 0 | 0 | 110.9 | L101 E102 S103 H107 V109 R110 K374 Q377 L378 | L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.44Å; E102-Y105 WeakPolarHBondContact O-CB 3.31Å; E102-Y105 PolarHBondContact O-N 3.35Å; S103-Y105 VanDerWaalsContact C-N 3.32Å; S103-Y105 PolarHBondContact O-N 2.96Å; Y105-H107 PolarHBondContact O-N 3.43Å; Y105-V109 HydrophobicContact CD2-CB 3.88Å; Y105-V109 HydrophobicContact CD2-CG1 3.92Å; Y105-V109 HydrophobicContact CE2-CB 4.45Å; Y105-V109 HydrophobicContact CE2-CG1 4.15Å; Y105-V109 PolarHBondContact O-N 3.21Å; Y105-V109 VanDerWaalsContact O-N 3.12Å; Y105-R110 HydrophobicContact CD1-CB 4.19Å; Y105-R110 HydrophobicContact CE1-CB 3.85Å; Y105-R110 HydrophobicContact CE1-CG 4.01Å; Y105-R110 HydrophobicContact CE2-CB 4.47Å; Y105-R110 VanDerWaalsContact O-CB 3.26Å; Y105-R110 WeakPolarHBondContact O-CB 3.32Å; Y105-R110 PolarHBondContact O-N 3.42Å; Y105-K374 HydrophobicContact CD1-CD 4.34Å; Y105-K374 HydrophobicContact CD1-CG 4.16Å; Y105-K374 HydrophobicContact CD2-CG 3.82Å; Y105-K374 HydrophobicContact CE1-CD 4.34Å; Y105-K374 HydrophobicContact CE1-CG 4.07Å; Y105-K374 HydrophobicContact CE2-CB 4.43Å; Y105-K374 HydrophobicContact CE2-CG 3.74Å; Y105-K374 HydrophobicContact CG-CG 4.03Å; Y105-Q377 HydrophobicContact CE2-CB 4.1Å; Y105-Q377 VanDerWaalsContact CE2-OE1 3.3Å; Y105-Q377 PolarHBondContact OH-OE1 2.74Å; Y105-L378 HydrophobicContact CD2-CD2 4.44Å; Y105-L378 HydrophobicContact CD2-CG 4.2Å |
| 106 | E | 91.4 | Very high | 89.7 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -64.2 | -36.7 | -176.5 | -70.4 | -58.6 | 138.7 | 0 | 0 | 113.5 | E102 S103 R110 | E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 2.89Å; S103-E106 PolarHBondContact O-N 3.34Å; E106-R110 VanDerWaalsContact CD-NH1 3.29Å; E106-R110 IonicContact OE1-CZ 3.2Å; E106-R110 IonicContact OE1-NH1 2.73Å; E106-R110 PolarHBondContact OE1-NH1 2.92Å; E106-R110 WeakPolarHBondContact OE2-CD 3.42Å; E106-R110 IonicContact OE2-CZ 3.53Å; E106-R110 IonicContact OE2-NE 3.82Å; E106-R110 IonicContact OE2-NH1 3.83Å; E106-R110 PolarHBondContact OE2-NH1 3.32Å |
| 107 | H | 88.3 | Confident | 90.1 | Very high | 84 Ų | 84 | 50 Ų | 50 | 39% | 0.389 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -91 | -35.3 | -173.6 | -65.9 | 89.8 | 0 | 0 | 0 | 114.2 | S103 Y105 | S103-H107 PolarHBondContact O-N 3.03Å; S103-H107 VanDerWaalsContact O-N 3.12Å; S103-H107 PolarHBondContact O-ND1 2.82Å; Y105-H107 PolarHBondContact O-N 3.43Å |
| 108 | E | 89.3 | Confident | 90.3 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -122.1 | -19.7 | -169.7 | -68.3 | -68.1 | 148.9 | 0 | 0 | 113.8 | Y104 R169 R514 | Y104-E108 HydrophobicContact CD2-CB 3.93Å; Y104-E108 HydrophobicContact CD2-CG 4.25Å; Y104-E108 HydrophobicContact CE2-CB 3.69Å; Y104-E108 HydrophobicContact CE2-CG 4.13Å; Y104-E108 PolarHBondContact O-N 3.18Å; E108-R169 WeakPolarHBondContact O-CG 3.26Å; E108-R514 IonicContact OE1-CZ 2.88Å; E108-R514 IonicContact OE1-NE 3.77Å; E108-R514 PolarHBondContact OE1-NE 3.2Å; E108-R514 IonicContact OE1-NH2 3.97Å; E108-R514 PolarHBondContact OE1-NH2 3.02Å; E108-R514 IonicContact OE2-NH2 3.64Å; E108-R514 PolarHBondContact OE2-NH2 3.43Å |
| 109 | V | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -105.9 | -47.5 | -175.9 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | Y104 Y105 L111 I168 R169 Q377 L378 A381 | Y104-V109 HydrophobicContact CD1-CG2 3.71Å; Y104-V109 HydrophobicContact CE1-CG2 3.51Å; Y104-V109 PolarHBondContact O-N 2.91Å; Y105-V109 HydrophobicContact CD2-CB 3.88Å; Y105-V109 HydrophobicContact CD2-CG1 3.92Å; Y105-V109 HydrophobicContact CE2-CB 4.45Å; Y105-V109 HydrophobicContact CE2-CG1 4.15Å; Y105-V109 PolarHBondContact O-N 3.21Å; Y105-V109 VanDerWaalsContact O-N 3.12Å; V109-L111 PolarHBondContact O-N 3.19Å; V109-I168 HydrophobicContact CG1-CB 4.01Å; V109-I168 HydrophobicContact CG1-CG2 3.64Å; V109-I168 WeakPolarHBondContact O-CA 3.44Å; V109-R169 PolarHBondContact O-N 3.41Å; V109-Q377 HydrophobicContact CG1-CB 3.83Å; V109-L378 HydrophobicContact CG2-CD2 4.32Å; V109-A381 HydrophobicContact CG1-CB 4.25Å; V109-A381 HydrophobicContact CG2-CB 3.59Å |
| 110 | R | 91.8 | Very high | 90.8 | Very high | 121 Ų | 121 | 46 Ų | 46 | 46% | 0.457 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 121.5 | -173.4 | -175 | 179.5 | 179.1 | 169.2 | 1.6 | 109.7 | Y105 E106 | Y105-R110 HydrophobicContact CD1-CB 4.19Å; Y105-R110 HydrophobicContact CE1-CB 3.85Å; Y105-R110 HydrophobicContact CE1-CG 4.01Å; Y105-R110 HydrophobicContact CE2-CB 4.47Å; Y105-R110 VanDerWaalsContact O-CB 3.26Å; Y105-R110 WeakPolarHBondContact O-CB 3.32Å; Y105-R110 PolarHBondContact O-N 3.42Å; E106-R110 VanDerWaalsContact CD-NH1 3.29Å; E106-R110 IonicContact OE1-CZ 3.2Å; E106-R110 IonicContact OE1-NH1 2.73Å; E106-R110 PolarHBondContact OE1-NH1 2.92Å; E106-R110 WeakPolarHBondContact OE2-CD 3.42Å; E106-R110 IonicContact OE2-CZ 3.53Å; E106-R110 IonicContact OE2-NE 3.82Å; E106-R110 IonicContact OE2-NH1 3.83Å; E106-R110 PolarHBondContact OE2-NH1 3.32Å |
| 111 | L | 89.8 | Confident | 90.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 133 | 172.5 | -179.7 | 59.6 | 0 | 0 | 0 | 109.3 | V109 P113 L116 K167 P171 | V109-L111 PolarHBondContact O-N 3.19Å; L111-P113 WeakPolarHBondContact O-CD 3.4Å; L111-L116 HydrophobicContact CD2-CB 3.84Å; L111-L116 HydrophobicContact CD2-CD1 3.86Å; L111-L116 HydrophobicContact CD2-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CG 4.13Å; L111-L116 HydrophobicContact CG-CB 4.19Å; L111-K167 HydrophobicContact CD2-CB 4.38Å; L111-K167 HydrophobicContact CD2-CG 4.07Å; L111-P171 HydrophobicContact CD1-CG 4.2Å; L111-P171 HydrophobicContact CD2-CB 4.08Å; L111-P171 HydrophobicContact CD2-CG 4.45Å |
| 112 | S | 89.2 | Confident | 90.8 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -59 | 122.9 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | H114 V115 L116 | S112-H114 PolarHBondContact O-N 3.14Å; S112-V115 PolarHBondContact O-N 2.86Å; S112-L116 PolarHBondContact O-N 3.46Å |
| 113 | P | 89.5 | Confident | 90.9 | Very high | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.8 | -35.3 | 178.8 | -25.5 | 34.6 | 0 | 0 | 0 | 112.8 | L111 L116 G117 | L111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-L116 PolarHBondContact O-N 3.1Å; P113-G117 PolarHBondContact O-N 2.87Å |
| 114 | H | 89.4 | Confident | 91.1 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -50 | 177.1 | 174.5 | 75.6 | 0 | 0 | 0 | 111.6 | S112 L116 G117 H118 | S112-H114 PolarHBondContact O-N 3.14Å; H114-L116 PolarHBondContact O-N 2.94Å; H114-G117 PolarHBondContact O-N 2.8Å; H114-H118 AromaticContact CE1-CE1 3.13Å; H114-H118 PolarHBondContact CE1-CE1 3.01Å; H114-H118 AromaticContact CE1-ND1 3.74Å; H114-H118 AromaticContact CE1-NE2 3.39Å; H114-H118 PolarHBondContact CE1-NE2 2.89Å; H114-H118 AromaticContact NE2-CE1 3.38Å; H114-H118 PolarHBondContact NE2-CE1 2.86Å; H114-H118 AromaticContact NE2-ND1 3.61Å; H114-H118 PolarHBondContact O-N 3.32Å |
| 115 | V | 89 | Confident | 91.2 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | S112 G117 H118 S119 P171 C300 L303 | S112-V115 PolarHBondContact O-N 2.86Å; V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 2.84Å; V115-H118 PolarHBondContact O-N 3.21Å; V115-S119 PolarHBondContact O-N 2.99Å; V115-S119 PolarHBondContact O-OG 2.82Å; V115-S119 VanDerWaalsContact O-OG 3.1Å; V115-P171 HydrophobicContact CG1-CG 3.83Å; V115-C300 HydrophobicContact CB-CB 4.44Å; V115-C300 HydrophobicContact CG1-CB 4.26Å; V115-C300 HydrophobicContact CG2-CB 3.82Å; V115-L303 HydrophobicContact CG1-CD1 3.6Å |
| 116 | L | 91.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 178 | -179.3 | 60.4 | 0 | 0 | 0 | 112 | L111 S112 P113 H114 S119 K120 A162 P171 F174 | L111-L116 HydrophobicContact CD2-CB 3.84Å; L111-L116 HydrophobicContact CD2-CD1 3.86Å; L111-L116 HydrophobicContact CD2-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CG 4.13Å; L111-L116 HydrophobicContact CG-CB 4.19Å; S112-L116 PolarHBondContact O-N 3.46Å; P113-L116 PolarHBondContact O-N 3.1Å; H114-L116 PolarHBondContact O-N 2.94Å; L116-S119 PolarHBondContact O-N 3.1Å; L116-K120 HydrophobicContact CD1-CD 4.46Å; L116-K120 HydrophobicContact CD1-CG 4.28Å; L116-K120 HydrophobicContact CG-CD 4.22Å; L116-K120 HydrophobicContact CG-CG 4.47Å; L116-K120 WeakPolarHBondContact O-CB 3.38Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 2.81Å; L116-K120 PolarHBondContact O-N 3.03Å; L116-A162 HydrophobicContact CD1-CB 4.2Å; L116-P171 HydrophobicContact CD1-CB 4.11Å; L116-F174 HydrophobicContact CD1-CE1 4.38Å |
| 117 | G | 92.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P113 H114 V115 K120 A121 | P113-G117 PolarHBondContact O-N 2.87Å; H114-G117 PolarHBondContact O-N 2.8Å; V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 2.84Å; G117-K120 PolarHBondContact O-N 3.49Å; G117-A121 PolarHBondContact O-N 3.31Å |
| 118 | H | 90.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 44.1 Ų | 44.1 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 175 | -79.2 | -170.2 | 0 | 0 | 0 | 112.4 | H114 V115 K120 A121 H122 C300 C301 | H114-H118 AromaticContact CE1-CE1 3.13Å; H114-H118 PolarHBondContact CE1-CE1 3.01Å; H114-H118 AromaticContact CE1-ND1 3.74Å; H114-H118 AromaticContact CE1-NE2 3.39Å; H114-H118 PolarHBondContact CE1-NE2 2.89Å; H114-H118 AromaticContact NE2-CE1 3.38Å; H114-H118 PolarHBondContact NE2-CE1 2.86Å; H114-H118 AromaticContact NE2-ND1 3.61Å; H114-H118 PolarHBondContact O-N 3.32Å; V115-H118 PolarHBondContact O-N 3.21Å; H118-K120 PolarHBondContact O-N 3.09Å; H118-A121 PolarHBondContact O-N 3.48Å; H118-H122 PolarHBondContact O-N 3.47Å; H118-C300 PolarHBondContact ND1-SG 3.27Å; H118-C300 VanDerWaalsContact ND1-SG 3.44Å; H118-C301 PolarHBondContact ND1-SG 3.22Å |
| 119 | S | 90.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | V115 L116 A121 H122 V123 | V115-S119 PolarHBondContact O-N 2.99Å; V115-S119 PolarHBondContact O-OG 2.82Å; V115-S119 VanDerWaalsContact O-OG 3.1Å; L116-S119 PolarHBondContact O-N 3.1Å; S119-A121 PolarHBondContact O-N 3.27Å; S119-H122 PolarHBondContact O-N 3.39Å; S119-V123 VanDerWaalsContact O-CG2 3.32Å; S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 3.05Å |
| 120 | K | 93.8 | Very high | 92 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 175.2 | -75.6 | 175.8 | 176.2 | 179.7 | 0 | 112.1 | L116 G117 H118 H122 V123 S124 A162 Y163 F174 | L116-K120 HydrophobicContact CD1-CD 4.46Å; L116-K120 HydrophobicContact CD1-CG 4.28Å; L116-K120 HydrophobicContact CG-CD 4.22Å; L116-K120 HydrophobicContact CG-CG 4.47Å; L116-K120 WeakPolarHBondContact O-CB 3.38Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 2.81Å; L116-K120 PolarHBondContact O-N 3.03Å; G117-K120 PolarHBondContact O-N 3.49Å; H118-K120 PolarHBondContact O-N 3.09Å; K120-H122 VanDerWaalsContact C-N 3.33Å; K120-H122 PolarHBondContact O-N 2.98Å; K120-V123 PolarHBondContact O-N 2.77Å; K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.77Å; K120-S124 PolarHBondContact O-OG 3.21Å; K120-A162 WeakPolarHBondContact CE-O 3.41Å; K120-A162 PolarHBondContact NZ-O 3.29Å; K120-Y163 HydrophobicContact CB-CE1 4.21Å; K120-Y163 HydrophobicContact CD-CD1 4Å; K120-Y163 HydrophobicContact CD-CE1 4.18Å; K120-Y163 HydrophobicContact CG-CD1 4.04Å; K120-Y163 HydrophobicContact CG-CE1 3.73Å; K120-F174 HydrophobicContact CG-CE1 4.03Å |
| 121 | A | 91.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G117 H118 S119 S124 R125 | G117-A121 PolarHBondContact O-N 3.31Å; H118-A121 PolarHBondContact O-N 3.48Å; S119-A121 PolarHBondContact O-N 3.27Å; A121-S124 PolarHBondContact O-N 2.85Å; A121-R125 PolarHBondContact O-N 2.92Å |
| 122 | H | 90.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 178.8 | -162.3 | 68.5 | 0 | 0 | 0 | 112.2 | H118 S119 K120 S124 R125 I126 M305 | H118-H122 PolarHBondContact O-N 3.47Å; S119-H122 PolarHBondContact O-N 3.39Å; K120-H122 VanDerWaalsContact C-N 3.33Å; K120-H122 PolarHBondContact O-N 2.98Å; H122-S124 VanDerWaalsContact C-N 3.32Å; H122-S124 PolarHBondContact O-N 3.44Å; H122-R125 PolarHBondContact O-N 2.9Å; H122-I126 VanDerWaalsContact CD2-CD1 3.49Å; H122-I126 WeakPolarHBondContact CD2-CD1 3.22Å; H122-I126 VanDerWaalsContact NE2-CD1 3.25Å; H122-I126 WeakPolarHBondContact NE2-CD1 3.48Å; H122-I126 WeakPolarHBondContact O-CG1 3.07Å; H122-I126 PolarHBondContact O-N 3.15Å; H122-I126 VanDerWaalsContact O-N 3.11Å; H122-M305 HydrophobicContact CB-CE 4.36Å |
| 123 | V | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | S119 K120 R125 I126 V127 Y163 F174 V176 I291 M305 V307 | S119-V123 VanDerWaalsContact O-CG2 3.32Å; S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 3.05Å; K120-V123 PolarHBondContact O-N 2.77Å; V123-R125 VanDerWaalsContact C-N 3.33Å; V123-R125 PolarHBondContact O-N 3.44Å; V123-I126 PolarHBondContact O-N 3.44Å; V123-V127 HydrophobicContact CG1-CG2 4Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.43Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 3Å; V123-Y163 WeakPolarHBondContact CG1-OH 3.23Å; V123-F174 HydrophobicContact CG1-CB 4.41Å; V123-F174 HydrophobicContact CG1-CG 4.46Å; V123-F174 HydrophobicContact CG2-CD1 4.35Å; V123-F174 HydrophobicContact CG2-CD2 3.76Å; V123-F174 HydrophobicContact CG2-CE2 3.96Å; V123-F174 HydrophobicContact CG2-CG 3.98Å; V123-F174 HydrophobicContact CG2-CZ 4.34Å; V123-V176 HydrophobicContact CG1-CG2 4.48Å; V123-I291 HydrophobicContact CG2-CD1 4.35Å; V123-M305 HydrophobicContact CG2-SD 3.97Å; V123-V307 HydrophobicContact CB-CG2 4.41Å; V123-V307 HydrophobicContact CG1-CG1 3.96Å; V123-V307 HydrophobicContact CG1-CG2 3.77Å; V123-V307 HydrophobicContact CG2-CG2 3.79Å |
| 124 | S | 94.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | K120 A121 H122 G128 F156 Q158 | K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.77Å; K120-S124 PolarHBondContact O-OG 3.21Å; A121-S124 PolarHBondContact O-N 2.85Å; H122-S124 VanDerWaalsContact C-N 3.32Å; H122-S124 PolarHBondContact O-N 3.44Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.4Å; S124-F156 WeakPolarHBondContact O-CZ 3.4Å; S124-Q158 PolarHBondContact OG-NE2 3.4Å |
| 125 | R | 92.7 | Very high | 92.4 | Very high | 153 Ų | 153 | 37 Ų | 37 | 58% | 0.577 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.7 | -49.8 | 178.7 | -174.7 | 174.2 | -178.5 | 171.7 | 0.5 | 111.5 | A121 H122 V123 G128 E129 | A121-R125 PolarHBondContact O-N 2.92Å; H122-R125 PolarHBondContact O-N 2.9Å; V123-R125 VanDerWaalsContact C-N 3.33Å; V123-R125 PolarHBondContact O-N 3.44Å; R125-G128 PolarHBondContact O-N 3.38Å; R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.3Å |
| 126 | I | 93.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | -176.5 | -67.1 | 168.8 | 0 | 0 | 0 | 111.2 | H122 V123 G128 E129 L130 L270 C274 V276 L289 I291 | H122-I126 VanDerWaalsContact CD2-CD1 3.49Å; H122-I126 WeakPolarHBondContact CD2-CD1 3.22Å; H122-I126 VanDerWaalsContact NE2-CD1 3.25Å; H122-I126 WeakPolarHBondContact NE2-CD1 3.48Å; H122-I126 WeakPolarHBondContact O-CG1 3.07Å; H122-I126 PolarHBondContact O-N 3.15Å; H122-I126 VanDerWaalsContact O-N 3.11Å; V123-I126 PolarHBondContact O-N 3.44Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 2.82Å; I126-E129 PolarHBondContact O-N 3.08Å; I126-L130 WeakPolarHBondContact O-CB 3.22Å; I126-L130 PolarHBondContact O-N 2.84Å; I126-L270 HydrophobicContact CG1-CD2 4.14Å; I126-L270 HydrophobicContact CG2-CD1 4.27Å; I126-C274 HydrophobicContact CD1-CB 4.31Å; I126-C274 WeakPolarHBondContact CD1-SG 3.11Å; I126-V276 HydrophobicContact CG2-CG2 4.4Å; I126-L289 HydrophobicContact CG2-CD2 4.04Å; I126-I291 HydrophobicContact CB-CD1 4.14Å; I126-I291 HydrophobicContact CD1-CB 4.43Å; I126-I291 HydrophobicContact CD1-CD1 3.89Å; I126-I291 HydrophobicContact CD1-CG1 4.19Å; I126-I291 HydrophobicContact CD1-CG2 3.4Å; I126-I291 HydrophobicContact CG2-CD1 4.01Å; I126-I291 HydrophobicContact CG2-CG1 4.39Å |
| 127 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | V123 L130 V131 F156 V176 L289 V307 L309 | V123-V127 HydrophobicContact CG1-CG2 4Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.43Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 3Å; V127-L130 PolarHBondContact O-N 2.8Å; V127-V131 HydrophobicContact CG1-CG2 3.9Å; V127-V131 WeakPolarHBondContact O-CB 3.26Å; V127-V131 WeakPolarHBondContact O-CG2 3.19Å; V127-V131 PolarHBondContact O-N 2.87Å; V127-F156 HydrophobicContact CG1-CB 4.34Å; V127-F156 HydrophobicContact CG1-CD1 4.02Å; V127-F156 HydrophobicContact CG1-CD2 4.24Å; V127-F156 HydrophobicContact CG1-CE1 4.41Å; V127-F156 HydrophobicContact CG1-CG 3.94Å; V127-V176 HydrophobicContact CG1-CG1 4.04Å; V127-L289 HydrophobicContact CG2-CD2 4.33Å; V127-V307 HydrophobicContact CG2-CG1 4.04Å; V127-L309 HydrophobicContact CG1-CD2 3.96Å; V127-L309 HydrophobicContact CG2-CD2 4.14Å |
| 128 | G | 95.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 44 Ų | 44 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -51.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S124 R125 I126 L130 V131 Q132 | S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.4Å; R125-G128 PolarHBondContact O-N 3.38Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 2.82Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 3.23Å; G128-V131 PolarHBondContact O-N 2.93Å; G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.17Å; G128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | E | 94.3 | Very high | 88.2 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 176.5 | -71.7 | 178.1 | -147.8 | 0 | 0 | 111.5 | R125 I126 A133 L270 R273 | R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.3Å; I126-E129 PolarHBondContact O-N 3.08Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.49Å; E129-L270 WeakPolarHBondContact OE2-CD2 3.44Å; E129-R273 IonicContact OE1-CZ 3.5Å; E129-R273 IonicContact OE1-NH1 2.75Å; E129-R273 PolarHBondContact OE1-NH1 2.75Å; E129-R273 IonicContact OE1-NH2 3.29Å; E129-R273 PolarHBondContact OE1-NH2 2.93Å; E129-R273 IonicContact OE2-CZ 3.71Å; E129-R273 IonicContact OE2-NH1 3.71Å; E129-R273 IonicContact OE2-NH2 2.82Å; E129-R273 PolarHBondContact OE2-NH2 3.27Å |
| 130 | L | 94.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 178.8 | -178.6 | 62.8 | 0 | 0 | 0 | 113 | I126 V127 G128 A133 G134 L259 L263 V266 L289 L309 | I126-L130 WeakPolarHBondContact O-CB 3.22Å; I126-L130 PolarHBondContact O-N 2.84Å; V127-L130 PolarHBondContact O-N 2.8Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 3.23Å; L130-A133 PolarHBondContact O-N 3.1Å; L130-G134 PolarHBondContact O-N 3.4Å; L130-L259 HydrophobicContact CD2-CD2 3.93Å; L130-L259 HydrophobicContact CG-CD2 4.12Å; L130-L263 HydrophobicContact CD1-CB 3.92Å; L130-L263 HydrophobicContact CD1-CD1 4.48Å; L130-V266 HydrophobicContact CD1-CG2 4.19Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 4.14Å; L130-L309 HydrophobicContact CD2-CD1 3.82Å |
| 131 | V | 94.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | -177.8 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V127 G128 G134 R135 F152 F156 V178 | V127-V131 HydrophobicContact CG1-CG2 3.9Å; V127-V131 WeakPolarHBondContact O-CB 3.26Å; V127-V131 WeakPolarHBondContact O-CG2 3.19Å; V127-V131 PolarHBondContact O-N 2.87Å; G128-V131 PolarHBondContact O-N 2.93Å; V131-G134 PolarHBondContact O-N 3.21Å; V131-R135 PolarHBondContact O-N 3.48Å; V131-F152 HydrophobicContact CG1-CB 4.41Å; V131-F152 HydrophobicContact CG1-CD2 4.29Å; V131-F156 HydrophobicContact CG2-CB 4.43Å; V131-V178 HydrophobicContact CG1-CG1 4.35Å; V131-V178 HydrophobicContact CG2-CG1 4.13Å; V131-V178 HydrophobicContact CG2-CG2 4.22Å |
| 132 | Q | 92.8 | Very high | 81.3 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.5 | -68.5 | -63.3 | -7.5 | 0 | 0 | 111.9 | G128 G134 R135 A136 G154 | G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.17Å; G128-Q132 PolarHBondContact O-N 3.43Å; Q132-G134 VanDerWaalsContact C-N 3.3Å; Q132-G134 PolarHBondContact O-N 2.99Å; Q132-R135 WeakPolarHBondContact O-CB 3.31Å; Q132-R135 PolarHBondContact O-N 3.46Å; Q132-R135 VanDerWaalsContact O-N 3.17Å; Q132-A136 PolarHBondContact O-N 3.33Å; Q132-G154 PolarHBondContact NE2-O 2.87Å |
| 133 | A | 91.8 | Very high | 78.9 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 13% | 0.132 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E129 L130 R135 A136 R137 V266 | E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.49Å; L130-A133 PolarHBondContact O-N 3.1Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.89Å; A133-A136 PolarHBondContact O-N 2.86Å; A133-R137 PolarHBondContact O-N 3.36Å; A133-V266 HydrophobicContact CB-CG1 3.42Å; A133-V266 VanDerWaalsContact CB-CG1 3.42Å |
| 134 | G | 89.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.7 | -31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L130 V131 Q132 G138 H258 S262 | L130-G134 PolarHBondContact O-N 3.4Å; V131-G134 PolarHBondContact O-N 3.21Å; Q132-G134 VanDerWaalsContact C-N 3.3Å; Q132-G134 PolarHBondContact O-N 2.99Å; G134-G138 PolarHBondContact O-N 2.89Å; G134-H258 PolarHBondContact O-NE2 3.05Å; G134-S262 WeakPolarHBondContact CA-OG 3.43Å |
| 135 | R | 89.8 | Confident | 73.8 | Confident | 115 Ų | 115 | 66.4 Ų | 66.4 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 171.3 | 174.7 | 179.8 | 175 | -171.9 | 3.3 | 111.7 | V131 Q132 A133 R137 G138 S139 F152 | V131-R135 PolarHBondContact O-N 3.48Å; Q132-R135 WeakPolarHBondContact O-CB 3.31Å; Q132-R135 PolarHBondContact O-N 3.46Å; Q132-R135 VanDerWaalsContact O-N 3.17Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.89Å; R135-R137 VanDerWaalsContact C-N 3.29Å; R135-R137 PolarHBondContact O-N 3.17Å; R135-G138 CarbonylContact O-C 3.53Å; R135-G138 PolarHBondContact O-N 3.47Å; R135-G138 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-N 3.47Å; R135-F152 HydrophobicContact CB-CB 4.36Å |
| 136 | A | 83.7 | Confident | 71.7 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q132 A133 G138 S139 | Q132-A136 PolarHBondContact O-N 3.33Å; A133-A136 PolarHBondContact O-N 2.86Å; A136-G138 VanDerWaalsContact C-N 3.31Å; A136-G138 PolarHBondContact O-N 3.18Å; A136-S139 WeakPolarHBondContact O-CB 3.21Å; A136-S139 PolarHBondContact O-N 2.85Å |
| 137 | R | 73.8 | Confident | 69.7 | Low | 131 Ų | 131 | 64 Ų | 64 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.4 | -25.8 | 175.1 | -76.4 | 179.1 | 167 | -108.2 | 0.9 | 114.6 | A133 R135 T265 | A133-R137 PolarHBondContact O-N 3.36Å; R135-R137 VanDerWaalsContact C-N 3.29Å; R135-R137 PolarHBondContact O-N 3.17Å; R137-T265 PolarHBondContact NE-OG1 3.28Å; R137-T265 PolarHBondContact NH2-OG1 2.96Å |
| 138 | G | 61.9 | Low | 68.2 | Low | 23 Ų | 23 | 66 Ų | 66 | 24% | 0.237 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G134 R135 A136 | G134-G138 PolarHBondContact O-N 2.89Å; R135-G138 CarbonylContact O-C 3.53Å; R135-G138 PolarHBondContact O-N 3.47Å; R135-G138 VanDerWaalsContact O-N 3.08Å; A136-G138 VanDerWaalsContact C-N 3.31Å; A136-G138 PolarHBondContact O-N 3.18Å |
| 139 | S | 54.4 | Low | 67.2 | Low | 82 Ų | 82 | 67.5 Ų | 67.5 | 57% | 0.573 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.2 | 136.8 | 174.9 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | R135 A136 G141 | R135-S139 PolarHBondContact O-N 3.47Å; A136-S139 WeakPolarHBondContact O-CB 3.21Å; A136-S139 PolarHBondContact O-N 2.85Å; S139-G141 VanDerWaalsContact C-N 3.3Å; S139-G141 PolarHBondContact O-N 2.8Å |
| 140 | P | 50.7 | Low | 66.8 | Low | 96 Ų | 96 | 65.4 Ų | 65.4 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | trans | -66.3 | 90.3 | 177 | 25.9 | -31.7 | 0 | 0 | 0 | 109.7 | ||||
| 141 | G | 43.7 | Very low | 66.6 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | trans | -78.5 | 169.9 | 162 | 0 | 0 | 0 | 0 | 0 | 111 | S139 I143 | S139-G141 VanDerWaalsContact C-N 3.3Å; S139-G141 PolarHBondContact O-N 2.8Å; G141-I143 PolarHBondContact O-N 3.15Å | ||
| 142 | P | 37.1 | Very low | 66.5 | Low | 144 Ų | 144 | 65.6 Ų | 65.6 | 94% | 0.935 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -70.8 | 18.4 | -173.8 | 30.6 | -35.5 | 0 | 0 | 0 | 114.6 | ||
| 143 | I | 40 | Very low | 66.4 | Low | 140 Ų | 140 | 64.4 Ų | 64.4 | 72% | 0.718 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -84.4 | 131.6 | 175.9 | -53.5 | 174.8 | 0 | 0 | 0 | 107.9 | G141 G145 G146 | G141-I143 PolarHBondContact O-N 3.15Å; I143-G145 PolarHBondContact O-N 2.93Å; I143-G146 PolarHBondContact O-N 2.83Å; I143-G146 VanDerWaalsContact O-N 3.1Å |
| 144 | T | 37.7 | Very low | 66.3 | Low | 158 Ų | 158 | 63.9 Ų | 63.9 | 97% | 0.969 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 34.2 | -172.3 | 9.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 145 | G | 43.1 | Very low | 66.5 | Low | 58 Ų | 58 | 66.6 Ų | 66.6 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -158.7 | 4.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I143 | I143-G145 PolarHBondContact O-N 2.93Š|
| 146 | G | 48.3 | Very low | 66.7 | Low | 31 Ų | 31 | 63.5 Ų | 63.5 | 32% | 0.32 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I143 | I143-G146 PolarHBondContact O-N 2.83Å; I143-G146 VanDerWaalsContact O-N 3.1Å |
| 147 | A | 52.9 | Low | 67.3 | Low | 76 Ų | 76 | 60.4 Ų | 60.4 | 63% | 0.628 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 148 | L | 62.8 | Low | 68.3 | Low | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -127 | 18.6 | -166.9 | -67.1 | 164.9 | 0 | 0 | 0 | 113.9 | D228 P231 F232 | L148-D228 WeakPolarHBondContact CD1-O 3.42Å; L148-D228 WeakPolarHBondContact CD2-O 3.35Å; L148-P231 HydrophobicContact CD1-CG 4.16Å; L148-F232 WeakPolarHBondContact O-CD2 3.42Å |
| 149 | A | 74 | Confident | 69.8 | Low | 48 Ų | 48 | 56.6 Ų | 56.6 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -104.6 | 156.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 150 | L | 86.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -62.1 | 146.4 | 166.6 | -67.9 | 176.8 | 0 | 0 | 0 | 110.5 | L180 L182 F232 F236 V251 W254 | L150-L180 HydrophobicContact CD1-CD1 4.42Å; L150-L182 HydrophobicContact CD2-CD2 3.55Å; L150-F232 HydrophobicContact CD2-CE2 3.79Å; L150-F232 HydrophobicContact CD2-CZ 4.21Å; L150-F232 HydrophobicContact CG-CE2 4Å; L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD1-CD1 3.53Å; L150-F236 HydrophobicContact CD1-CD2 4.39Å; L150-F236 HydrophobicContact CD1-CE1 3.37Å; L150-F236 HydrophobicContact CD1-CE2 4.27Å; L150-F236 HydrophobicContact CD1-CG 4.04Å; L150-F236 HydrophobicContact CD1-CZ 3.78Å; L150-F236 HydrophobicContact CG-CD1 4.28Å; L150-F236 HydrophobicContact CG-CD2 4.3Å; L150-F236 HydrophobicContact CG-CE1 3.99Å; L150-F236 HydrophobicContact CG-CE2 4.02Å; L150-F236 HydrophobicContact CG-CG 4.43Å; L150-F236 HydrophobicContact CG-CZ 3.85Å; L150-V251 HydrophobicContact CD1-CB 4.43Å; L150-V251 HydrophobicContact CD1-CG1 4.05Å; L150-V251 HydrophobicContact CD1-CG2 3.9Å; L150-W254 HydrophobicContact CB-CD2 4.24Å; L150-W254 HydrophobicContact CB-CE3 4.07Å; L150-W254 HydrophobicContact CB-CH2 3.61Å; L150-W254 HydrophobicContact CB-CZ2 3.77Å; L150-W254 HydrophobicContact CB-CZ3 3.76Å; L150-W254 HydrophobicContact CD1-CD2 4.42Å; L150-W254 HydrophobicContact CD1-CE3 3.99Å; L150-W254 HydrophobicContact CD1-CZ3 4.24Å; L150-W254 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 151 | A | 89.8 | Confident | 73.4 | Confident | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | L180 R181 | A151-L180 CarbonylContact O-C 3.56Å; A151-L180 WeakPolarHBondContact O-CA 3.43Å; A151-R181 PolarHBondContact N-O 2.89Å; A151-R181 PolarHBondContact O-N 3.46Å |
| 152 | F | 92.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139.3 | 168.1 | -66.9 | -5.5 | 0 | 0 | 0 | 109.9 | V131 R135 G154 V178 L180 R181 W254 F255 H258 L259 | V131-F152 HydrophobicContact CG1-CB 4.41Å; V131-F152 HydrophobicContact CG1-CD2 4.29Å; R135-F152 HydrophobicContact CB-CB 4.36Å; F152-G154 PolarHBondContact O-N 2.88Å; F152-V178 HydrophobicContact CD1-CG1 4.2Å; F152-V178 HydrophobicContact CD2-CG1 4.41Å; F152-V178 HydrophobicContact CE1-CG1 4.39Å; F152-V178 HydrophobicContact CG-CG1 4.23Å; F152-L180 HydrophobicContact CD1-CD2 3.84Å; F152-L180 HydrophobicContact CE1-CD2 4.16Å; F152-R181 PolarHBondContact O-NH1 2.73Å; F152-W254 HydrophobicContact CD1-CH2 4.2Å; F152-W254 HydrophobicContact CE1-CH2 4.12Å; F152-W254 HydrophobicContact CE1-CZ3 4.27Å; F152-F255 HydrophobicContact CD1-CD2 4.5Å; F152-F255 HydrophobicContact CD1-CE2 4.33Å; F152-F255 AromaticContact CE1-CD2 3.46Å; F152-F255 HydrophobicContact CE1-CD2 3.46Å; F152-F255 VanDerWaalsContact CE1-CD2 3.46Å; F152-F255 AromaticContact CE1-CE2 3.42Å; F152-F255 HydrophobicContact CE1-CE2 3.42Å; F152-F255 VanDerWaalsContact CE1-CE2 3.42Å; F152-F255 AromaticContact CZ-CD2 3.92Å; F152-F255 HydrophobicContact CZ-CD2 3.92Å; F152-F255 AromaticContact CZ-CE2 3.63Å; F152-F255 HydrophobicContact CZ-CE2 3.63Å; F152-H258 AromaticContact CE1-CD2 3.6Å; F152-H258 AromaticContact CE2-CD2 3.93Å; F152-H258 AromaticContact CZ-CD2 3.55Å; F152-L259 HydrophobicContact CE2-CD2 3.81Å; F152-L259 HydrophobicContact CZ-CD2 3.66Å; F152-L259 HydrophobicContact CZ-CG 3.97Å |
| 153 | R | 90.6 | Very high | 78.4 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | trans | -64.8 | -30.6 | 173.4 | -168.1 | 168.3 | 73.2 | 178 | 4.4 | 111.2 | D155 P179 R181 | R153-D155 WeakPolarHBondContact CB-OD1 3.35Å; R153-D155 VanDerWaalsContact CG-OD1 3.3Å; R153-D155 WeakPolarHBondContact CG-OD1 3.18Å; R153-D155 IonicContact CZ-OD1 2.64Å; R153-D155 IonicContact CZ-OD2 3.71Å; R153-D155 IonicContact NE-OD1 2.7Å; R153-D155 PolarHBondContact NE-OD1 3.49Å; R153-D155 IonicContact NE-OD2 2.74Å; R153-D155 PolarHBondContact NE-OD2 2.93Å; R153-D155 IonicContact NH2-OD1 2.76Å; R153-D155 IonicContact NH2-OD2 2.78Å; R153-D155 PolarHBondContact NH2-OD2 3.42Å; R153-P179 HydrophobicContact CB-CB 4.02Å; R153-P179 VanDerWaalsContact CB-O 3.29Å; R153-P179 WeakPolarHBondContact CB-O 3.45Å; R153-P179 PolarHBondContact N-O 2.88Å; R153-R181 PolarHBondContact O-NH2 3.16Å | ||
| 154 | G | 88.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 107.8 | -11.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q132 F152 | Q132-G154 PolarHBondContact NE2-O 2.87Å; F152-G154 PolarHBondContact O-N 2.88Å |
| 155 | D | 93.5 | Very high | 83.3 | Confident | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 21% | 0.212 | S | C | . | . | trans | -114.1 | 173.7 | 173.3 | 65.8 | -36.5 | 0 | 0 | 0 | 110.2 | R153 P179 | R153-D155 WeakPolarHBondContact CB-OD1 3.35Å; R153-D155 VanDerWaalsContact CG-OD1 3.3Å; R153-D155 WeakPolarHBondContact CG-OD1 3.18Å; R153-D155 IonicContact CZ-OD1 2.64Å; R153-D155 IonicContact CZ-OD2 3.71Å; R153-D155 IonicContact NE-OD1 2.7Å; R153-D155 PolarHBondContact NE-OD1 3.49Å; R153-D155 IonicContact NE-OD2 2.74Å; R153-D155 PolarHBondContact NE-OD2 2.93Å; R153-D155 IonicContact NH2-OD1 2.76Å; R153-D155 IonicContact NH2-OD2 2.78Å; R153-D155 PolarHBondContact NH2-OD2 3.42Å; D155-P179 WeakPolarHBondContact O-CD 3.46Å | ||
| 156 | F | 95.5 | Very high | 85.7 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | trans | -144 | 160.2 | 177.4 | 64.2 | -91.6 | 0 | 0 | 0 | 110.1 | S124 V127 V131 Q158 V176 L177 | S124-F156 WeakPolarHBondContact O-CZ 3.4Å; V127-F156 HydrophobicContact CG1-CB 4.34Å; V127-F156 HydrophobicContact CG1-CD1 4.02Å; V127-F156 HydrophobicContact CG1-CD2 4.24Å; V127-F156 HydrophobicContact CG1-CE1 4.41Å; V127-F156 HydrophobicContact CG1-CG 3.94Å; V131-F156 HydrophobicContact CG2-CB 4.43Å; F156-Q158 HydrophobicContact CD2-CG 4.29Å; F156-Q158 HydrophobicContact CE2-CG 3.92Å; F156-V176 HydrophobicContact CB-CG1 3.6Å; F156-V176 HydrophobicContact CD2-CG1 3.58Å; F156-V176 HydrophobicContact CG-CG1 3.92Å; F156-L177 CarbonylContact C-O 3.57Å; F156-L177 WeakPolarHBondContact CA-O 3.47Å; F156-L177 WeakPolarHBondContact CB-O 3.27Å | ||
| 157 | I | 95.2 | Very high | 87.8 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.046 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.3 | -177.7 | -51.2 | 165.8 | 0 | 0 | 0 | 108.3 | V159 V176 L177 P179 F320 R353 | I157-V159 HydrophobicContact CG2-CG1 3.96Å; I157-V159 PolarHBondContact O-N 3.3Å; I157-V176 WeakPolarHBondContact O-CA 3.43Å; I157-L177 HydrophobicContact CB-CB 4.14Å; I157-L177 HydrophobicContact CB-CD1 4.47Å; I157-L177 HydrophobicContact CD1-CD1 4.49Å; I157-L177 PolarHBondContact N-O 3.44Å; I157-L177 PolarHBondContact O-N 3.3Å; I157-P179 HydrophobicContact CD1-CG 3.88Å; I157-P179 HydrophobicContact CG1-CG 4.15Å; I157-F320 HydrophobicContact CD1-CD2 4.22Å; I157-F320 HydrophobicContact CD1-CE1 4Å; I157-F320 HydrophobicContact CD1-CE2 3.33Å; I157-F320 HydrophobicContact CD1-CZ 3.2Å; I157-R353 HydrophobicContact CG2-CG 4.24Å |
| 158 | Q | 94.9 | Very high | 89.7 | Confident | 68 Ų | 68 | 27.8 Ų | 27.8 | 32% | 0.318 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.5 | 177.3 | -69.6 | 178.6 | -13.2 | 0 | 0 | 109.8 | S124 F156 Y163 Q356 | S124-Q158 PolarHBondContact OG-NE2 3.4Å; F156-Q158 HydrophobicContact CD2-CG 4.29Å; F156-Q158 HydrophobicContact CE2-CG 3.92Å; Q158-Y163 HydrophobicContact CB-CD1 3.55Å; Q158-Y163 HydrophobicContact CB-CD2 3.69Å; Q158-Y163 HydrophobicContact CB-CE1 3.65Å; Q158-Y163 HydrophobicContact CB-CE2 3.76Å; Q158-Y163 HydrophobicContact CB-CG 3.56Å; Q158-Y163 HydrophobicContact CG-CD1 3.89Å; Q158-Y163 HydrophobicContact CG-CD2 4.46Å; Q158-Y163 HydrophobicContact CG-CE1 3.48Å; Q158-Y163 VanDerWaalsContact CG-CE1 3.48Å; Q158-Y163 HydrophobicContact CG-CE2 4.09Å; Q158-Y163 HydrophobicContact CG-CG 4.36Å; Q158-Y163 VanDerWaalsContact OE1-CD1 3.3Å; Q158-Q356 PolarHBondContact O-NE2 3.33Å |
| 159 | V | 93.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.3 | -175.1 | -64 | 0 | 0 | 0 | 0 | 111.8 | I157 Y163 D175 L177 A352 | I157-V159 HydrophobicContact CG2-CG1 3.96Å; I157-V159 PolarHBondContact O-N 3.3Å; V159-Y163 WeakPolarHBondContact O-CD2 3.19Å; V159-D175 HydrophobicContact CG2-CB 3.87Å; V159-D175 PolarHBondContact N-O 3.04Å; V159-D175 VanDerWaalsContact N-O 3.08Å; V159-D175 WeakPolarHBondContact O-CB 3.37Å; V159-L177 HydrophobicContact CG1-CD1 3.82Å; V159-L177 HydrophobicContact CG1-CG 3.84Å; V159-L177 HydrophobicContact CG2-CD2 4.17Å; V159-L177 HydrophobicContact CG2-CG 3.86Å; V159-A352 HydrophobicContact CB-CB 3.96Å; V159-A352 HydrophobicContact CG1-CB 3.51Å |
| 160 | G | 90.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 87.4 | -176.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A162 Y163 E164 | G160-A162 VanDerWaalsContact C-N 3.29Å; G160-A162 PolarHBondContact O-N 2.84Å; G160-A162 VanDerWaalsContact O-N 3.08Å; G160-Y163 PolarHBondContact O-N 3.07Å; G160-E164 WeakPolarHBondContact CA-OE1 3.48Å; G160-E164 PolarHBondContact N-OE1 2.9Å; G160-E164 PolarHBondContact O-N 3.41Å |
| 161 | S | 91.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | -157.7 | 66.8 | 0 | 0 | 0 | 0 | 116.7 | Q165 H166 K167 K380 | S161-Q165 PolarHBondContact O-N 2.97Å; S161-H166 VanDerWaalsContact CA-CE1 3.41Å; S161-H166 WeakPolarHBondContact CA-CE1 3.44Å; S161-H166 WeakPolarHBondContact CB-NE2 3.4Å; S161-H166 PolarHBondContact O-N 3.47Å; S161-K167 PolarHBondContact O-N 3.41Å; S161-K167 WeakPolarHBondContact OG-CD 3.43Å; S161-K380 VanDerWaalsContact CB-NZ 3.26Å; S161-K380 PolarHBondContact OG-NZ 2.73Å |
| 162 | A | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L116 K120 G160 F174 | L116-A162 HydrophobicContact CD1-CB 4.2Å; K120-A162 WeakPolarHBondContact CE-O 3.41Å; K120-A162 PolarHBondContact NZ-O 3.29Å; G160-A162 VanDerWaalsContact C-N 3.29Å; G160-A162 PolarHBondContact O-N 2.84Å; G160-A162 VanDerWaalsContact O-N 3.08Å; A162-F174 HydrophobicContact CB-CD1 3.56Å; A162-F174 HydrophobicContact CB-CE1 3.6Å; A162-F174 HydrophobicContact CB-CG 4.48Å |
| 163 | Y | 92.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -33 | -176.8 | -58.7 | -74.6 | 0 | 0 | 0 | 112.2 | K120 V123 Q158 V159 G160 Q165 F174 | K120-Y163 HydrophobicContact CB-CE1 4.21Å; K120-Y163 HydrophobicContact CD-CD1 4Å; K120-Y163 HydrophobicContact CD-CE1 4.18Å; K120-Y163 HydrophobicContact CG-CD1 4.04Å; K120-Y163 HydrophobicContact CG-CE1 3.73Å; V123-Y163 WeakPolarHBondContact CG1-OH 3.23Å; Q158-Y163 HydrophobicContact CB-CD1 3.55Å; Q158-Y163 HydrophobicContact CB-CD2 3.69Å; Q158-Y163 HydrophobicContact CB-CE1 3.65Å; Q158-Y163 HydrophobicContact CB-CE2 3.76Å; Q158-Y163 HydrophobicContact CB-CG 3.56Å; Q158-Y163 HydrophobicContact CG-CD1 3.89Å; Q158-Y163 HydrophobicContact CG-CD2 4.46Å; Q158-Y163 HydrophobicContact CG-CE1 3.48Å; Q158-Y163 VanDerWaalsContact CG-CE1 3.48Å; Q158-Y163 HydrophobicContact CG-CE2 4.09Å; Q158-Y163 HydrophobicContact CG-CG 4.36Å; Q158-Y163 VanDerWaalsContact OE1-CD1 3.3Å; V159-Y163 WeakPolarHBondContact O-CD2 3.19Å; G160-Y163 PolarHBondContact O-N 3.07Å; Y163-Q165 PolarHBondContact O-N 3.32Å; Y163-F174 HydrophobicContact CE2-CB 4.35Å; Y163-F174 AromaticContact CE2-CD1 3.94Å; Y163-F174 HydrophobicContact CE2-CD1 3.94Å; Y163-F174 AromaticContact CZ-CD1 3.81Å |
| 164 | E | 91.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 21.3 | 175.9 | -66.9 | 164.6 | -140.9 | 0 | 0 | 113.7 | G160 H166 Q356 L359 K408 | G160-E164 WeakPolarHBondContact CA-OE1 3.48Å; G160-E164 PolarHBondContact N-OE1 2.9Å; G160-E164 PolarHBondContact O-N 3.41Å; E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.14Å; E164-H166 VanDerWaalsContact CB-ND1 3.32Å; E164-H166 WeakPolarHBondContact CB-ND1 3.48Å; E164-H166 PolarHBondContact O-N 3.28Å; E164-H166 PolarHBondContact O-ND1 3.17Å; E164-H166 IonicContact OE2-CE1 2.88Å; E164-H166 PolarHBondContact OE2-CE1 3.04Å; E164-H166 VanDerWaalsContact OE2-CE1 3.27Å; E164-Q356 HydrophobicContact CG-CG 3.98Å; E164-L359 HydrophobicContact CB-CD1 4.02Å; E164-L359 HydrophobicContact CG-CD1 3.97Å; E164-K408 IonicContact OE1-NZ 3.49Å; E164-K408 VanDerWaalsContact OE2-CD 3.29Å; E164-K408 WeakPolarHBondContact OE2-CD 2.74Å; E164-K408 IonicContact OE2-NZ 3.46Å; E164-K408 PolarHBondContact OE2-NZ 3.31Å |
| 165 | Q | 89.9 | Confident | 91.8 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 48% | 0.477 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 5.5 | 172.2 | -53.4 | -174 | 14.2 | 0 | 0 | 118 | S161 Y163 L373 Q377 | S161-Q165 PolarHBondContact O-N 2.97Å; Y163-Q165 PolarHBondContact O-N 3.32Å; Q165-L373 HydrophobicContact CB-CD1 4.41Å; Q165-Q377 PolarHBondContact O-NE2 3.22Å |
| 166 | H | 92.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | trans | -112 | 23.5 | -177.5 | 67.9 | -82.7 | 0 | 0 | 0 | 113 | S161 E164 L376 Q377 K380 | S161-H166 VanDerWaalsContact CA-CE1 3.41Å; S161-H166 WeakPolarHBondContact CA-CE1 3.44Å; S161-H166 WeakPolarHBondContact CB-NE2 3.4Å; S161-H166 PolarHBondContact O-N 3.47Å; E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.14Å; E164-H166 VanDerWaalsContact CB-ND1 3.32Å; E164-H166 WeakPolarHBondContact CB-ND1 3.48Å; E164-H166 PolarHBondContact O-N 3.28Å; E164-H166 PolarHBondContact O-ND1 3.17Å; E164-H166 IonicContact OE2-CE1 2.88Å; E164-H166 PolarHBondContact OE2-CE1 3.04Å; E164-H166 VanDerWaalsContact OE2-CE1 3.27Å; H166-L376 HydrophobicContact CB-CD2 3.65Å; H166-L376 HydrophobicContact CB-CG 4.15Å; H166-Q377 HydrophobicContact CB-CG 4.27Å; H166-K380 PolarHBondContact CD2-NZ 3.33Å; H166-K380 VanDerWaalsContact CD2-NZ 3.35Å; H166-K380 WeakPolarHBondContact O-CE 3.33Å; H166-K380 PolarHBondContact O-NZ 2.84Å | ||
| 167 | K | 93.6 | Very high | 92 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 8% | 0.083 | 16% | 0.164 | C | C | . | . | trans | -68.8 | 146 | 167.6 | -174.4 | 71.5 | -180 | -178.1 | 0 | 109.6 | L111 S161 R170 D172 S173 Q377 | L111-K167 HydrophobicContact CD2-CB 4.38Å; L111-K167 HydrophobicContact CD2-CG 4.07Å; S161-K167 PolarHBondContact O-N 3.41Å; S161-K167 WeakPolarHBondContact OG-CD 3.43Å; K167-R170 WeakPolarHBondContact CE-O 3.29Å; K167-D172 VanDerWaalsContact CE-OD1 3.25Å; K167-D172 WeakPolarHBondContact CE-OD1 3.47Å; K167-D172 IonicContact NZ-OD1 3.29Å; K167-D172 PolarHBondContact NZ-OD1 2.86Å; K167-S173 PolarHBondContact NZ-OG 2.97Å; K167-Q377 PolarHBondContact O-NE2 2.94Å | ||
| 168 | I | 92.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | trans | -123.3 | 157.7 | -178.2 | 63.6 | 166.8 | 0 | 0 | 0 | 110.9 | V109 R170 Q377 K380 A381 | V109-I168 HydrophobicContact CG1-CB 4.01Å; V109-I168 HydrophobicContact CG1-CG2 3.64Å; V109-I168 WeakPolarHBondContact O-CA 3.44Å; I168-R170 VanDerWaalsContact C-N 3.31Å; I168-R170 PolarHBondContact O-N 3.23Å; I168-Q377 HydrophobicContact CG2-CB 3.64Å; I168-Q377 HydrophobicContact CG2-CG 3.78Å; I168-K380 HydrophobicContact CD1-CB 3.79Å; I168-K380 HydrophobicContact CG2-CB 4.39Å; I168-A381 HydrophobicContact CD1-CB 4.29Å | ||
| 169 | R | 86.6 | Confident | 92.1 | Very high | 85 Ų | 85 | 30 Ų | 30 | 32% | 0.321 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 62.8 | -72.7 | 175.4 | -67.1 | 173.6 | -179.5 | 151.8 | 12 | 115.3 | E108 V109 D384 | E108-R169 WeakPolarHBondContact O-CG 3.26Å; V109-R169 PolarHBondContact O-N 3.41Å; R169-D384 IonicContact CZ-OD2 3.57Å; R169-D384 VanDerWaalsContact CZ-OD2 3.29Å; R169-D384 IonicContact NH1-OD2 2.77Å; R169-D384 PolarHBondContact NH1-OD2 3.42Å; R169-D384 IonicContact NH2-OD2 2.64Å |
| 170 | R | 85.8 | Confident | 92.1 | Very high | 150 Ų | 150 | 30 Ų | 30 | 57% | 0.566 | 15% | 0.146 | S | C | * | . | trans | -139.5 | 146 | -171.3 | -66.4 | -175.5 | 178.1 | 170.2 | -2.2 | 111 | K167 I168 D172 | K167-R170 WeakPolarHBondContact CE-O 3.29Å; I168-R170 VanDerWaalsContact C-N 3.31Å; I168-R170 PolarHBondContact O-N 3.23Å; R170-D172 HydrophobicContact CB-CB 4.44Å; R170-D172 PolarHBondContact O-N 3.29Å | ||
| 171 | P | 86.1 | Confident | 92.2 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | trans | -83.8 | 59.8 | 173.6 | 32.4 | -23.4 | 0 | 0 | 0 | 109.9 | L111 V115 L116 F174 L303 | L111-P171 HydrophobicContact CD1-CG 4.2Å; L111-P171 HydrophobicContact CD2-CB 4.08Å; L111-P171 HydrophobicContact CD2-CG 4.45Å; V115-P171 HydrophobicContact CG1-CG 3.83Å; L116-P171 HydrophobicContact CD1-CB 4.11Å; P171-F174 HydrophobicContact CB-CE2 4.45Å; P171-F174 HydrophobicContact CB-CZ 3.97Å; P171-F174 WeakPolarHBondContact O-CE2 3.45Å; P171-L303 HydrophobicContact CG-CD1 3.82Å | ||
| 172 | D | 88.2 | Confident | 92 | Very high | 84 Ų | 84 | 34.7 Ų | 34.7 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | trans | -91.7 | -21.4 | -175.2 | 60.9 | -14.4 | 0 | 0 | 0 | 113.5 | K167 R170 A306 | K167-D172 VanDerWaalsContact CE-OD1 3.25Å; K167-D172 WeakPolarHBondContact CE-OD1 3.47Å; K167-D172 IonicContact NZ-OD1 3.29Å; K167-D172 PolarHBondContact NZ-OD1 2.86Å; R170-D172 HydrophobicContact CB-CB 4.44Å; R170-D172 PolarHBondContact O-N 3.29Å; D172-A306 PolarHBondContact O-N 2.56Å | ||
| 173 | S | 91.8 | Very high | 91.7 | Very high | 50 Ų | 50 | 35 Ų | 35 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139 | -179 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | K167 A306 | K167-S173 PolarHBondContact NZ-OG 2.97Å; S173-A306 CarbonylContact C-O 3.59Å; S173-A306 VanDerWaalsContact CA-O 3.26Å; S173-A306 WeakPolarHBondContact CA-O 3.29Å |
| 174 | F | 95.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.6 | -179.6 | -63 | -92.9 | 0 | 0 | 0 | 109.8 | L116 K120 V123 A162 Y163 P171 M305 A306 V307 R308 | L116-F174 HydrophobicContact CD1-CE1 4.38Å; K120-F174 HydrophobicContact CG-CE1 4.03Å; V123-F174 HydrophobicContact CG1-CB 4.41Å; V123-F174 HydrophobicContact CG1-CG 4.46Å; V123-F174 HydrophobicContact CG2-CD1 4.35Å; V123-F174 HydrophobicContact CG2-CD2 3.76Å; V123-F174 HydrophobicContact CG2-CE2 3.96Å; V123-F174 HydrophobicContact CG2-CG 3.98Å; V123-F174 HydrophobicContact CG2-CZ 4.34Å; A162-F174 HydrophobicContact CB-CD1 3.56Å; A162-F174 HydrophobicContact CB-CE1 3.6Å; A162-F174 HydrophobicContact CB-CG 4.48Å; Y163-F174 HydrophobicContact CE2-CB 4.35Å; Y163-F174 AromaticContact CE2-CD1 3.94Å; Y163-F174 HydrophobicContact CE2-CD1 3.94Å; Y163-F174 AromaticContact CZ-CD1 3.81Å; P171-F174 HydrophobicContact CB-CE2 4.45Å; P171-F174 HydrophobicContact CB-CZ 3.97Å; P171-F174 WeakPolarHBondContact O-CE2 3.45Å; F174-M305 HydrophobicContact CD2-CB 4.29Å; F174-M305 HydrophobicContact CE2-CB 4.1Å; F174-M305 HydrophobicContact CE2-CG 3.86Å; F174-M305 HydrophobicContact CE2-SD 3.98Å; F174-A306 PolarHBondContact N-O 2.98Å; F174-V307 HydrophobicContact CB-CG1 4.21Å; F174-V307 HydrophobicContact CB-CG2 4.25Å; F174-V307 CarbonylContact O-C 3.56Å; F174-V307 VanDerWaalsContact O-CA 3.32Å; F174-V307 WeakPolarHBondContact O-CA 3.31Å; F174-R308 PolarHBondContact O-N 3Å |
| 175 | D | 94.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.2 | 173.8 | -62.3 | -25.6 | 0 | 0 | 0 | 109 | V159 R308 I310 | V159-D175 HydrophobicContact CG2-CB 3.87Å; V159-D175 PolarHBondContact N-O 3.04Å; V159-D175 VanDerWaalsContact N-O 3.08Å; V159-D175 WeakPolarHBondContact O-CB 3.37Å; D175-R308 WeakPolarHBondContact OD1-CB 3.19Å; D175-R308 IonicContact OD1-CZ 3.22Å; D175-R308 IonicContact OD1-NE 3.04Å; D175-R308 IonicContact OD1-NH1 3.35Å; D175-R308 PolarHBondContact OD1-NH1 3.33Å; D175-R308 IonicContact OD1-NH2 3.87Å; D175-R308 PolarHBondContact OD1-NH2 3.03Å; D175-R308 IonicContact OD2-CZ 2.84Å; D175-R308 IonicContact OD2-NH1 3.77Å; D175-R308 PolarHBondContact OD2-NH1 2.95Å; D175-R308 IonicContact OD2-NH2 3.27Å; D175-R308 PolarHBondContact OD2-NH2 3.01Å; D175-I310 HydrophobicContact CB-CD1 4.38Å |
| 176 | V | 96.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 126.3 | -179.9 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | V123 V127 F156 I157 V307 R308 L309 I310 | V123-V176 HydrophobicContact CG1-CG2 4.48Å; V127-V176 HydrophobicContact CG1-CG1 4.04Å; F156-V176 HydrophobicContact CB-CG1 3.6Å; F156-V176 HydrophobicContact CD2-CG1 3.58Å; F156-V176 HydrophobicContact CG-CG1 3.92Å; I157-V176 WeakPolarHBondContact O-CA 3.43Å; V176-V307 HydrophobicContact CB-CG1 4.35Å; V176-V307 HydrophobicContact CG2-CG1 3.79Å; V176-R308 PolarHBondContact N-O 3.15Å; V176-L309 HydrophobicContact CB-CD2 4.35Å; V176-I310 PolarHBondContact O-N 3.2Å |
| 177 | L | 96.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.9 | 167.5 | -54 | 177.9 | 0 | 0 | 0 | 109 | F156 I157 V159 P179 I310 A312 F320 V322 | F156-L177 CarbonylContact C-O 3.57Å; F156-L177 WeakPolarHBondContact CA-O 3.47Å; F156-L177 WeakPolarHBondContact CB-O 3.27Å; I157-L177 HydrophobicContact CB-CB 4.14Å; I157-L177 HydrophobicContact CB-CD1 4.47Å; I157-L177 HydrophobicContact CD1-CD1 4.49Å; I157-L177 PolarHBondContact N-O 3.44Å; I157-L177 PolarHBondContact O-N 3.3Å; V159-L177 HydrophobicContact CG1-CD1 3.82Å; V159-L177 HydrophobicContact CG1-CG 3.84Å; V159-L177 HydrophobicContact CG2-CD2 4.17Å; V159-L177 HydrophobicContact CG2-CG 3.86Å; L177-P179 WeakPolarHBondContact O-CD 3.41Å; L177-I310 CarbonylContact C-O 3.54Å; L177-I310 WeakPolarHBondContact CA-O 3.11Å; L177-I310 HydrophobicContact CD2-CB 3.84Å; L177-I310 HydrophobicContact CD2-CD1 4.11Å; L177-I310 HydrophobicContact CD2-CG2 3.87Å; L177-A312 HydrophobicContact CB-CB 4.04Å; L177-F320 HydrophobicContact CD1-CD2 4.05Å; L177-F320 HydrophobicContact CD1-CG 4.42Å; L177-V322 HydrophobicContact CD2-CG1 4.14Å |
| 178 | V | 96.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 96.3 | 172.6 | -177 | 0 | 0 | 0 | 0 | 107.8 | V131 F152 L180 F255 L309 I310 A312 | V131-V178 HydrophobicContact CG1-CG1 4.35Å; V131-V178 HydrophobicContact CG2-CG1 4.13Å; V131-V178 HydrophobicContact CG2-CG2 4.22Å; F152-V178 HydrophobicContact CD1-CG1 4.2Å; F152-V178 HydrophobicContact CD2-CG1 4.41Å; F152-V178 HydrophobicContact CE1-CG1 4.39Å; F152-V178 HydrophobicContact CG-CG1 4.23Å; V178-L180 PolarHBondContact O-N 3.49Å; V178-F255 HydrophobicContact CB-CE2 3.84Å; V178-F255 HydrophobicContact CB-CZ 3.84Å; V178-F255 HydrophobicContact CG1-CE2 3.83Å; V178-F255 HydrophobicContact CG1-CZ 4.24Å; V178-F255 HydrophobicContact CG2-CE2 4.4Å; V178-F255 HydrophobicContact CG2-CZ 3.96Å; V178-L309 HydrophobicContact CG2-CD2 4.26Å; V178-I310 PolarHBondContact N-O 3.16Å; V178-A312 PolarHBondContact O-N 3.28Å |
| 179 | P | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 132.5 | 178.1 | -26.2 | 36.1 | 0 | 0 | 0 | 112.4 | R153 D155 I157 L177 A312 F320 | R153-P179 HydrophobicContact CB-CB 4.02Å; R153-P179 VanDerWaalsContact CB-O 3.29Å; R153-P179 WeakPolarHBondContact CB-O 3.45Å; R153-P179 PolarHBondContact N-O 2.88Å; D155-P179 WeakPolarHBondContact O-CD 3.46Å; I157-P179 HydrophobicContact CD1-CG 3.88Å; I157-P179 HydrophobicContact CG1-CG 4.15Å; L177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-A312 CarbonylContact C-O 3.51Å; P179-A312 WeakPolarHBondContact CA-O 3.39Å; P179-F320 HydrophobicContact CB-CE1 4.24Å; P179-F320 HydrophobicContact CG-CE1 4.14Å |
| 180 | L | 94.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 143.3 | 175.7 | -54.7 | -175.8 | 0 | 0 | 0 | 110 | L150 A151 F152 V178 V251 W254 F255 P311 A312 V313 | L150-L180 HydrophobicContact CD1-CD1 4.42Å; A151-L180 CarbonylContact O-C 3.56Å; A151-L180 WeakPolarHBondContact O-CA 3.43Å; F152-L180 HydrophobicContact CD1-CD2 3.84Å; F152-L180 HydrophobicContact CE1-CD2 4.16Å; V178-L180 PolarHBondContact O-N 3.49Å; L180-V251 HydrophobicContact CD1-CG1 3.55Å; L180-W254 HydrophobicContact CD1-CZ3 4.25Å; L180-W254 HydrophobicContact CD2-CH2 4.47Å; L180-W254 HydrophobicContact CD2-CZ3 3.95Å; L180-F255 HydrophobicContact CD2-CD2 4.11Å; L180-F255 HydrophobicContact CD2-CE2 4.34Å; L180-P311 HydrophobicContact CD1-CB 4.07Å; L180-A312 PolarHBondContact N-O 3.13Å; L180-V313 HydrophobicContact CD1-CG2 4.31Å |
| 181 | R | 90.8 | Very high | 90 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.6 | 169.3 | -171.6 | -172.9 | -62.6 | 101.4 | 5.4 | 107.8 | A151 F152 R153 | A151-R181 PolarHBondContact N-O 2.89Å; A151-R181 PolarHBondContact O-N 3.46Å; F152-R181 PolarHBondContact O-NH1 2.73Å; R153-R181 PolarHBondContact O-NH2 3.16Å |
| 182 | L | 88.4 | Confident | 90.1 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 151.2 | 170.4 | -60.3 | 174.8 | 0 | 0 | 0 | 109.8 | L150 L188 F232 V313 | L150-L182 HydrophobicContact CD2-CD2 3.55Å; L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD1-CG 3.77Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; L182-F232 HydrophobicContact CD2-CZ 4.42Å; L182-V313 HydrophobicContact CD1-CG1 4.09Å; L182-V313 HydrophobicContact CD2-CG1 4.26Å; L182-V313 HydrophobicContact CG-CG1 4.41Å |
| 183 | P | 85.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.045 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 145 | 169.7 | -22.7 | 33.1 | 0 | 0 | 0 | 111.2 | Q185 V186 F232 | P183-Q185 PolarHBondContact O-N 3.15Å; P183-Q185 VanDerWaalsContact O-N 3.11Å; P183-V186 HydrophobicContact CB-CB 4.42Å; P183-V186 HydrophobicContact CB-CG2 4.02Å; P183-V186 HydrophobicContact CG-CG2 4.13Å; P183-V186 PolarHBondContact O-N 2.77Å; P183-F232 HydrophobicContact CG-CD2 3.81Å; P183-F232 HydrophobicContact CG-CE2 4.05Å |
| 184 | P | 80.7 | Confident | 89 | Confident | 127 Ų | 127 | 38 Ų | 38 | 83% | 0.825 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.4 | -173.2 | 24.6 | -34.2 | 0 | 0 | 0 | 113.8 | V186 | P184-V186 VanDerWaalsContact C-N 3.34Š|
| 185 | Q | 77.8 | Confident | 87.7 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.3 | 178.6 | -62.2 | 172.4 | -4.7 | 0 | 0 | 112.9 | P183 W225 | P183-Q185 PolarHBondContact O-N 3.15Å; P183-Q185 VanDerWaalsContact O-N 3.11Å; Q185-W225 PolarHBondContact O-NE1 3.1Å |
| 186 | V | 84.1 | Confident | 86.5 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | trans | -98.8 | 113.3 | -176.5 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | P183 P184 L188 L211 F232 | P183-V186 HydrophobicContact CB-CB 4.42Å; P183-V186 HydrophobicContact CB-CG2 4.02Å; P183-V186 HydrophobicContact CG-CG2 4.13Å; P183-V186 PolarHBondContact O-N 2.77Å; P184-V186 VanDerWaalsContact C-N 3.34Å; V186-L188 HydrophobicContact CG1-CD2 4.37Å; V186-L211 HydrophobicContact CG1-CD2 3.95Å; V186-F232 HydrophobicContact CG1-CD1 4.22Å; V186-F232 HydrophobicContact CG1-CE1 3.75Å; V186-F232 HydrophobicContact CG1-CZ 4.07Å; V186-F232 HydrophobicContact CG2-CD1 3.89Å; V186-F232 HydrophobicContact CG2-CD2 4.4Å; V186-F232 HydrophobicContact CG2-CE1 4.22Å; V186-F232 HydrophobicContact CG2-CG 4Å | ||
| 187 | A | 86.5 | Confident | 84.9 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K212 | A187-K212 HydrophobicContact CB-CB 4Å; A187-K212 PolarHBondContact O-N 3.33Å |
| 188 | L | 89.8 | Confident | 83.7 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.6 | 177.3 | -60.6 | 179.5 | 0 | 0 | 0 | 110.6 | L182 V186 A210 L211 L246 V313 | L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD1-CG 3.77Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; V186-L188 HydrophobicContact CG1-CD2 4.37Å; L188-A210 WeakPolarHBondContact CA-O 3.26Å; L188-L211 HydrophobicContact CD2-CD2 3.8Å; L188-L246 HydrophobicContact CD1-CD2 3.92Å; L188-L246 HydrophobicContact CD2-CB 4.4Å; L188-L246 HydrophobicContact CD2-CD2 4.39Å; L188-V313 HydrophobicContact CD1-CG1 3.52Å |
| 189 | E | 90.6 | Very high | 82.6 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 95.7 | 171.1 | -173.2 | 173.5 | -179.7 | 0 | 0 | 108.9 | A210 K212 | E189-A210 PolarHBondContact N-O 2.97Å; E189-A210 PolarHBondContact O-N 2.88Å; E189-K212 HydrophobicContact CB-CB 4.21Å |
| 190 | P | 91.1 | Very high | 81.7 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 136 | 176.5 | 30 | -34.4 | 0 | 0 | 0 | 110.6 | V208 L315 A471 | P190-V208 CarbonylContact C-O 3.59Å; P190-V208 WeakPolarHBondContact CA-O 3.48Å; P190-L315 HydrophobicContact CB-CD1 4.03Å; P190-L315 HydrophobicContact CB-CD2 4.01Å; P190-L315 HydrophobicContact CG-CD1 4.12Å; P190-L315 HydrophobicContact CG-CD2 3.73Å; P190-A471 HydrophobicContact CB-CB 4.26Å; P190-A471 HydrophobicContact CG-CB 3.74Å; P190-A471 WeakPolarHBondContact O-CB 3.49Å |
| 191 | R | 89.2 | Confident | 80.9 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.5 | 174.1 | -166.8 | -179.7 | 82.4 | 137.6 | 3.2 | 109.6 | F207 V208 | R191-F207 WeakPolarHBondContact O-CA 3.26Å; R191-V208 HydrophobicContact CB-CG2 4.1Å; R191-V208 PolarHBondContact N-O 2.93Å; R191-V208 PolarHBondContact O-N 3.38Å |
| 192 | S | 87.7 | Confident | 80.3 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.6 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | G194 | S192-G194 VanDerWaalsContact C-N 3.27Å; S192-G194 PolarHBondContact OG-N 3.44Å |
| 193 | L | 82.8 | Confident | 79.9 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | -76.7 | -17.6 | 172.3 | -66.6 | -179.7 | 0 | 0 | 0 | 112.7 | E196 L199 C206 V208 L341 L346 | L193-E196 WeakPolarHBondContact O-CG 3.47Å; L193-L199 HydrophobicContact CB-CD2 3.81Å; L193-L199 HydrophobicContact CD1-CD1 4.37Å; L193-L199 HydrophobicContact CD1-CD2 4.2Å; L193-C206 HydrophobicContact CD1-CB 4.23Å; L193-C206 PolarHBondContact N-O 2.84Å; L193-C206 VanDerWaalsContact N-O 3.13Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L193-V208 HydrophobicContact CD2-CG1 3.89Å; L193-V208 HydrophobicContact CD2-CG2 4.04Å; L193-V208 HydrophobicContact CG-CG1 4.32Å; L193-L341 HydrophobicContact CD1-CD1 4.24Å; L193-L341 HydrophobicContact CD2-CD1 3.83Å; L193-L341 HydrophobicContact CD2-CD2 4.44Å; L193-L346 HydrophobicContact CD1-CD2 3.45Å; L193-L346 VanDerWaalsContact CD1-CD2 3.45Å | ||
| 194 | G | 74.3 | Confident | 79.6 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -150.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S192 E196 R204 | S192-G194 VanDerWaalsContact C-N 3.27Å; S192-G194 PolarHBondContact OG-N 3.44Å; G194-E196 PolarHBondContact O-N 2.93Å; G194-R204 WeakPolarHBondContact O-CB 3.33Å; G194-R204 WeakPolarHBondContact O-CG 3.42Å |
| 195 | T | 67.9 | Low | 79.6 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 45.1 | -179.5 | 54 | 0 | 0 | 0 | 0 | 111.7 | A476 | T195-A476 HydrophobicContact CG2-CB 4.15Š|
| 196 | E | 70.4 | Confident | 80.1 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | trans | -56.1 | 125.7 | 170 | -74.1 | -66.7 | 160.1 | 0 | 0 | 109 | L193 G194 T198 L199 | L193-E196 WeakPolarHBondContact O-CG 3.47Å; G194-E196 PolarHBondContact O-N 2.93Å; E196-T198 PolarHBondContact O-N 3.03Å; E196-L199 HydrophobicContact CB-CB 4.04Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 3.44Å | ||
| 197 | P | 62.2 | Low | 80.4 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 73% | 0.734 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -26.1 | -169.8 | 23.4 | -32.8 | 0 | 0 | 0 | 112.6 | L199 | P197-L199 VanDerWaalsContact C-N 3.34Š|
| 198 | T | 70.8 | Confident | 80.7 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.6 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 113 | E196 P338 | E196-T198 PolarHBondContact O-N 3.03Å; T198-P338 WeakPolarHBondContact O-CG 3.43Å |
| 199 | L | 74.4 | Confident | 80.8 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -86.4 | 129.7 | -174.7 | -163.5 | 83.5 | 0 | 0 | 0 | 111.2 | L193 E196 P197 F203 R204 L341 | L193-L199 HydrophobicContact CB-CD2 3.81Å; L193-L199 HydrophobicContact CD1-CD1 4.37Å; L193-L199 HydrophobicContact CD1-CD2 4.2Å; E196-L199 HydrophobicContact CB-CB 4.04Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 3.44Å; P197-L199 VanDerWaalsContact C-N 3.34Å; L199-F203 HydrophobicContact CD1-CB 4.08Å; L199-F203 HydrophobicContact CD2-CB 3.72Å; L199-F203 HydrophobicContact CG-CB 3.83Å; L199-R204 HydrophobicContact CD2-CG 4.26Å; L199-L341 HydrophobicContact CD1-CD1 4.27Å |
| 200 | A | 77.2 | Confident | 80.8 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | trans | -58.1 | 142.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A202 F203 | A200-A202 PolarHBondContact O-N 3.38Å; A200-F203 HydrophobicContact CB-CD2 3.75Å; A200-F203 HydrophobicContact CB-CE2 3.99Å; A200-F203 PolarHBondContact O-N 2.95Å | ||
| 201 | P | 77 | Confident | 80.7 | Confident | 60 Ų | 60 | 45.1 Ų | 45.1 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -52.3 | -31.5 | -178.8 | -29.2 | 35.6 | 0 | 0 | 0 | 114.4 | F203 R204 A482 | P201-F203 PolarHBondContact O-N 3.28Å; P201-R204 PolarHBondContact O-N 2.85Å; P201-A482 HydrophobicContact CB-CB 4.36Å; P201-A482 WeakPolarHBondContact CB-O 3.21Å |
| 202 | A | 76.6 | Confident | 80.6 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -60.2 | -25.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A200 P483 | A200-A202 PolarHBondContact O-N 3.38Å; A202-P483 HydrophobicContact CB-CB 3.97Å |
| 203 | F | 80.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -103.8 | -3.6 | -176 | -55.1 | -65.6 | 0 | 0 | 0 | 113.6 | L199 A200 P201 S205 C206 L337 L346 | L199-F203 HydrophobicContact CD1-CB 4.08Å; L199-F203 HydrophobicContact CD2-CB 3.72Å; L199-F203 HydrophobicContact CG-CB 3.83Å; A200-F203 HydrophobicContact CB-CD2 3.75Å; A200-F203 HydrophobicContact CB-CE2 3.99Å; A200-F203 PolarHBondContact O-N 2.95Å; P201-F203 PolarHBondContact O-N 3.28Å; F203-S205 PolarHBondContact O-N 3.44Å; F203-S205 VanDerWaalsContact O-N 3.17Å; F203-C206 VanDerWaalsContact O-CB 3.24Å; F203-C206 WeakPolarHBondContact O-CB 3.35Å; F203-C206 PolarHBondContact O-N 3.36Å; F203-L337 HydrophobicContact CD2-CD2 3.75Å; F203-L337 HydrophobicContact CE2-CD2 3.4Å; F203-L337 VanDerWaalsContact CE2-CD2 3.4Å; F203-L337 HydrophobicContact CG-CD2 4.45Å; F203-L337 HydrophobicContact CZ-CD2 3.82Å; F203-L346 HydrophobicContact CD1-CD1 3.49Å; F203-L346 VanDerWaalsContact CD1-CD1 3.49Å; F203-L346 HydrophobicContact CE1-CD1 3.86Å; F203-L346 HydrophobicContact CG-CD1 4.3Å |
| 204 | R | 79.7 | Confident | 79.8 | Confident | 96 Ų | 96 | 46.6 Ų | 46.6 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.4 | -178.2 | -65.2 | -177.3 | -179.9 | 178.9 | -2.5 | 113.4 | G194 L199 P201 | G194-R204 WeakPolarHBondContact O-CB 3.33Å; G194-R204 WeakPolarHBondContact O-CG 3.42Å; L199-R204 HydrophobicContact CD2-CG 4.26Å; P201-R204 PolarHBondContact O-N 2.85Å |
| 205 | S | 81.5 | Confident | 79.4 | Confident | 41 Ų | 41 | 52 Ų | 52 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.1 | 174 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | F203 F207 | F203-S205 PolarHBondContact O-N 3.44Å; F203-S205 VanDerWaalsContact O-N 3.17Å; S205-F207 WeakPolarHBondContact O-CD2 3.32Å |
| 206 | C | 88.8 | Confident | 79.1 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | trans | -88.1 | 155.9 | -178.3 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L193 F203 L346 W347 | L193-C206 HydrophobicContact CD1-CB 4.23Å; L193-C206 PolarHBondContact N-O 2.84Å; L193-C206 VanDerWaalsContact N-O 3.13Å; F203-C206 VanDerWaalsContact O-CB 3.24Å; F203-C206 WeakPolarHBondContact O-CB 3.35Å; F203-C206 PolarHBondContact O-N 3.36Å; C206-L346 HydrophobicContact CB-CB 4.4Å; C206-L346 HydrophobicContact CB-CD2 4.21Å; C206-W347 CarbonylContact C-O 3.57Å; C206-W347 WeakPolarHBondContact CA-O 3.27Å | ||
| 207 | F | 90.6 | Very high | 78.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 153.7 | -179.5 | -72.6 | -110.3 | 0 | 0 | 0 | 109.4 | R191 S205 L321 W347 V349 L472 A475 | R191-F207 WeakPolarHBondContact O-CA 3.26Å; S205-F207 WeakPolarHBondContact O-CD2 3.32Å; F207-L321 HydrophobicContact CB-CD2 4.27Å; F207-W347 PolarHBondContact N-O 3.46Å; F207-W347 PolarHBondContact O-N 3.49Å; F207-V349 HydrophobicContact CD1-CG2 4.33Å; F207-V349 HydrophobicContact CD2-CB 4.47Å; F207-V349 HydrophobicContact CD2-CG2 3.28Å; F207-V349 HydrophobicContact CE1-CG2 4.3Å; F207-V349 HydrophobicContact CE2-CB 4.27Å; F207-V349 HydrophobicContact CE2-CG2 3.27Å; F207-V349 HydrophobicContact CG-CG2 3.86Å; F207-V349 HydrophobicContact CZ-CG2 3.81Å; F207-L472 HydrophobicContact CE1-CD1 4.09Å; F207-L472 HydrophobicContact CZ-CD1 4.36Å; F207-L472 HydrophobicContact CZ-CG 4.44Å; F207-A475 HydrophobicContact CE1-CB 4.35Å; F207-A475 HydrophobicContact CZ-CB 3.91Å |
| 208 | V | 91.3 | Very high | 78.2 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.1 | 166.9 | -66.8 | 0 | 0 | 0 | 0 | 108.6 | P190 R191 L193 L341 L346 | P190-V208 CarbonylContact C-O 3.59Å; P190-V208 WeakPolarHBondContact CA-O 3.48Å; R191-V208 HydrophobicContact CB-CG2 4.1Å; R191-V208 PolarHBondContact N-O 2.93Å; R191-V208 PolarHBondContact O-N 3.38Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L193-V208 HydrophobicContact CD2-CG1 3.89Å; L193-V208 HydrophobicContact CD2-CG2 4.04Å; L193-V208 HydrophobicContact CG-CG1 4.32Å; V208-L341 HydrophobicContact CG1-CD2 4.35Å; V208-L346 HydrophobicContact CG1-CD2 4.14Å |
| 209 | C | 92.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 101.6 | -175.4 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | H245 L246 L321 | C209-H245 CarbonylContact O-C 3.57Å; C209-H245 VanDerWaalsContact O-CA 3.26Å; C209-H245 WeakPolarHBondContact O-CA 3.29Å; C209-L246 HydrophobicContact CB-CB 4.3Å; C209-L246 PolarHBondContact O-N 3.37Å; C209-L321 WeakPolarHBondContact SG-CD1 3.33Å |
| 210 | A | 91.5 | Very high | 76.6 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 151.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L188 E189 K212 | L188-A210 WeakPolarHBondContact CA-O 3.26Å; E189-A210 PolarHBondContact N-O 2.97Å; E189-A210 PolarHBondContact O-N 2.88Å; A210-K212 PolarHBondContact O-N 3.37Å |
| 211 | L | 89.3 | Confident | 75.8 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 125.2 | 167.4 | -61.2 | -175.4 | 0 | 0 | 0 | 109.6 | V186 L188 W225 F232 A233 R244 | V186-L211 HydrophobicContact CG1-CD2 3.95Å; L188-L211 HydrophobicContact CD2-CD2 3.8Å; L211-W225 HydrophobicContact CB-CH2 4.06Å; L211-F232 HydrophobicContact CD2-CD1 4.43Å; L211-F232 HydrophobicContact CD2-CE1 3.99Å; L211-A233 HydrophobicContact CD1-CB 3.91Å; L211-R244 HydrophobicContact CD1-CB 3.99Å; L211-R244 HydrophobicContact CG-CB 4.28Å; L211-R244 PolarHBondContact N-O 3.5Å |
| 212 | K | 86.1 | Confident | 75.1 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.5 | 178.4 | -175.9 | 174.2 | 179.8 | 175.5 | 0 | 110.1 | A187 E189 A210 W225 | A187-K212 HydrophobicContact CB-CB 4Å; A187-K212 PolarHBondContact O-N 3.33Å; E189-K212 HydrophobicContact CB-CB 4.21Å; A210-K212 PolarHBondContact O-N 3.37Å; K212-W225 VanDerWaalsContact O-CZ2 3.31Å; K212-W225 WeakPolarHBondContact O-CZ2 3.4Å |
| 213 | A | 78.4 | Confident | 74.7 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 143 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | W225 | A213-W225 HydrophobicContact CB-CD2 4.33Å; A213-W225 HydrophobicContact CB-CE3 3.81Å; A213-W225 HydrophobicContact CB-CH2 4.09Å; A213-W225 HydrophobicContact CB-CZ3 3.68Å |
| 214 | P | 74.7 | Confident | 74.3 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 143.8 | 174.6 | 24.5 | -31.9 | 0 | 0 | 0 | 110.6 | S216 W225 | P214-S216 PolarHBondContact O-N 2.87Å; P214-W225 HydrophobicContact CG-CB 4.48Å; P214-W225 HydrophobicContact CG-CG 4.08Å |
| 215 | P | 67.4 | Low | 74 | Confident | 124 Ų | 124 | 53.4 Ų | 53.4 | 81% | 0.805 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 123.5 | 175.3 | 25.2 | -31.5 | 0 | 0 | 0 | 109.1 | ||
| 216 | S | 59.9 | Low | 73.7 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 118.6 | -174.7 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | P214 S218 T221 | P214-S216 PolarHBondContact O-N 2.87Å; S216-S218 VanDerWaalsContact C-N 3.27Å; S216-S218 VanDerWaalsContact OG-C 3.29Å; S216-S218 PolarHBondContact OG-O 2.75Å; S216-T221 WeakPolarHBondContact CB-OG1 3.45Å; S216-T221 PolarHBondContact OG-OG1 2.93Å |
| 217 | P | 58.2 | Low | 73.1 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 84% | 0.844 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -76.7 | -13.8 | 173.4 | 28.8 | -31.9 | 0 | 0 | 0 | 112.9 | ||
| 218 | S | 56.8 | Low | 72.4 | Confident | 71 Ų | 71 | 68 Ų | 68 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -151.7 | 119.6 | 176.4 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | S216 T220 T221 | S216-S218 VanDerWaalsContact C-N 3.27Å; S216-S218 VanDerWaalsContact OG-C 3.29Å; S216-S218 PolarHBondContact OG-O 2.75Å; S218-T220 PolarHBondContact O-N 3.33Å; S218-T221 PolarHBondContact O-N 3.35Å |
| 219 | G | 55.9 | Low | 71.8 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 11.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | T222 | G219-T222 PolarHBondContact O-OG1 3.41Š|
| 220 | T | 55 | Low | 71.3 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 71% | 0.712 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -23.6 | 173.7 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | S218 | S218-T220 PolarHBondContact O-N 3.33Š|
| 221 | T | 60.5 | Low | 71 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -79.5 | -20.9 | -176.4 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | S216 S218 W225 | S216-T221 WeakPolarHBondContact CB-OG1 3.45Å; S216-T221 PolarHBondContact OG-OG1 2.93Å; S218-T221 PolarHBondContact O-N 3.35Å; T221-W225 PolarHBondContact O-N 3.23Å |
| 222 | T | 62 | Low | 70.9 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 30% | 0.301 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.1 | -42 | 178.6 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | G219 Q224 W225 H226 | G219-T222 PolarHBondContact O-OG1 3.41Å; T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.4Å; T222-W225 PolarHBondContact O-N 3.12Å; T222-H226 PolarHBondContact O-CD2 3.45Å; T222-H226 PolarHBondContact O-N 3.46Å |
| 223 | G | 68 | Low | 70.9 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R227 | G223-R227 WeakPolarHBondContact O-CG 3.33Å; G223-R227 PolarHBondContact O-N 3.17Å |
| 224 | Q | 72.4 | Confident | 71.3 | Confident | 97 Ų | 97 | 74.6 Ų | 74.6 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.5 | -44.6 | 176.3 | -174.1 | 59.2 | 32.2 | 0 | 0 | 111.6 | T222 H226 R227 D228 | T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.4Å; Q224-H226 VanDerWaalsContact C-N 3.29Å; Q224-H226 PolarHBondContact O-N 3.1Å; Q224-R227 WeakPolarHBondContact O-CB 3.48Å; Q224-R227 PolarHBondContact O-N 2.91Å; Q224-D228 PolarHBondContact NE2-OD1 3.12Å; Q224-D228 PolarHBondContact NE2-OD2 2.81Å; Q224-D228 VanDerWaalsContact O-CG 3.32Å; Q224-D228 PolarHBondContact O-N 2.78Å |
| 225 | W | 73.8 | Confident | 71.9 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 10% | 0.095 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 175.6 | 178.4 | 84.4 | 0 | 0 | 0 | 112.5 | Q185 L211 K212 A213 P214 T221 T222 R227 D228 C229 | Q185-W225 PolarHBondContact O-NE1 3.1Å; L211-W225 HydrophobicContact CB-CH2 4.06Å; K212-W225 VanDerWaalsContact O-CZ2 3.31Å; K212-W225 WeakPolarHBondContact O-CZ2 3.4Å; A213-W225 HydrophobicContact CB-CD2 4.33Å; A213-W225 HydrophobicContact CB-CE3 3.81Å; A213-W225 HydrophobicContact CB-CH2 4.09Å; A213-W225 HydrophobicContact CB-CZ3 3.68Å; P214-W225 HydrophobicContact CG-CB 4.48Å; P214-W225 HydrophobicContact CG-CG 4.08Å; T221-W225 PolarHBondContact O-N 3.23Å; T222-W225 PolarHBondContact O-N 3.12Å; W225-R227 VanDerWaalsContact C-N 3.31Å; W225-R227 PolarHBondContact O-N 2.96Å; W225-D228 PolarHBondContact O-N 2.89Å; W225-C229 HydrophobicContact CZ2-CB 4.43Å; W225-C229 PolarHBondContact NE1-SG 3.45Å; W225-C229 VanDerWaalsContact NE1-SG 3.36Å; W225-C229 WeakPolarHBondContact O-CB 3.44Å; W225-C229 PolarHBondContact O-N 2.88Å; W225-C229 PolarHBondContact O-SG 2.99Å |
| 226 | H | 73.9 | Confident | 73 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.4 | -83.2 | -68.1 | 0 | 0 | 0 | 112.8 | T222 Q224 K230 | T222-H226 PolarHBondContact O-CD2 3.45Å; T222-H226 PolarHBondContact O-N 3.46Å; Q224-H226 VanDerWaalsContact C-N 3.29Å; Q224-H226 PolarHBondContact O-N 3.1Å; H226-K230 WeakPolarHBondContact O-CB 3.42Å; H226-K230 PolarHBondContact O-N 3.03Å; H226-K230 VanDerWaalsContact O-N 3.14Å |
| 227 | R | 76.1 | Confident | 74.6 | Confident | 186 Ų | 186 | 66.8 Ų | 66.8 | 70% | 0.702 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.4 | -45 | 173.8 | -72.1 | 179.7 | -177.6 | -171.1 | 1.1 | 111.4 | G223 Q224 W225 K230 | G223-R227 WeakPolarHBondContact O-CG 3.33Å; G223-R227 PolarHBondContact O-N 3.17Å; Q224-R227 WeakPolarHBondContact O-CB 3.48Å; Q224-R227 PolarHBondContact O-N 2.91Å; W225-R227 VanDerWaalsContact C-N 3.31Å; W225-R227 PolarHBondContact O-N 2.96Å; R227-K230 VanDerWaalsContact O-CB 3.28Å; R227-K230 WeakPolarHBondContact O-CB 3.33Å; R227-K230 PolarHBondContact O-N 3.16Å |
| 228 | D | 76.2 | Confident | 76.1 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | -178.1 | -62.1 | -23.9 | 0 | 0 | 0 | 111.6 | L148 Q224 W225 K230 P231 | L148-D228 WeakPolarHBondContact CD1-O 3.42Å; L148-D228 WeakPolarHBondContact CD2-O 3.35Å; Q224-D228 PolarHBondContact NE2-OD1 3.12Å; Q224-D228 PolarHBondContact NE2-OD2 2.81Å; Q224-D228 VanDerWaalsContact O-CG 3.32Å; Q224-D228 PolarHBondContact O-N 2.78Å; W225-D228 PolarHBondContact O-N 2.89Å; D228-K230 VanDerWaalsContact C-N 3.34Å; D228-P231 WeakPolarHBondContact O-CD 3.32Å |
| 229 | C | 78.9 | Confident | 77.6 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -83.5 | -7.2 | 176.9 | -68.6 | 0 | 0 | 0 | 0 | 113.9 | W225 F232 A233 | W225-C229 HydrophobicContact CZ2-CB 4.43Å; W225-C229 PolarHBondContact NE1-SG 3.45Å; W225-C229 VanDerWaalsContact NE1-SG 3.36Å; W225-C229 WeakPolarHBondContact O-CB 3.44Å; W225-C229 PolarHBondContact O-N 2.88Å; W225-C229 PolarHBondContact O-SG 2.99Å; C229-F232 WeakPolarHBondContact O-CB 3.41Å; C229-F232 PolarHBondContact O-N 3.25Å; C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.96Å |
| 230 | K | 82.6 | Confident | 78.9 | Confident | 116 Ų | 116 | 58 Ų | 58 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.6 | -47.8 | -176.3 | -176.8 | 177.3 | 173.3 | -178.3 | 0 | 113.2 | H226 R227 D228 F232 A233 E234 | H226-K230 WeakPolarHBondContact O-CB 3.42Å; H226-K230 PolarHBondContact O-N 3.03Å; H226-K230 VanDerWaalsContact O-N 3.14Å; R227-K230 VanDerWaalsContact O-CB 3.28Å; R227-K230 WeakPolarHBondContact O-CB 3.33Å; R227-K230 PolarHBondContact O-N 3.16Å; D228-K230 VanDerWaalsContact C-N 3.34Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.99Å; K230-A233 PolarHBondContact O-N 3.5Å; K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.41Å; K230-E234 PolarHBondContact O-N 2.87Å |
| 231 | P | 84.8 | Confident | 80 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 179.9 | -21.7 | 34.2 | 0 | 0 | 0 | 112.7 | L148 D228 G235 | L148-P231 HydrophobicContact CD1-CG 4.16Å; D228-P231 WeakPolarHBondContact O-CD 3.32Å; P231-G235 PolarHBondContact O-N 2.81Å; P231-G235 VanDerWaalsContact O-N 3.1Å |
| 232 | F | 87.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 175.4 | 179.7 | -89.9 | 0 | 0 | 0 | 111.1 | L148 L150 L182 P183 V186 L211 C229 K230 E234 G235 F236 L246 | L148-F232 WeakPolarHBondContact O-CD2 3.42Å; L150-F232 HydrophobicContact CD2-CE2 3.79Å; L150-F232 HydrophobicContact CD2-CZ 4.21Å; L150-F232 HydrophobicContact CG-CE2 4Å; L182-F232 HydrophobicContact CD2-CZ 4.42Å; P183-F232 HydrophobicContact CG-CD2 3.81Å; P183-F232 HydrophobicContact CG-CE2 4.05Å; V186-F232 HydrophobicContact CG1-CD1 4.22Å; V186-F232 HydrophobicContact CG1-CE1 3.75Å; V186-F232 HydrophobicContact CG1-CZ 4.07Å; V186-F232 HydrophobicContact CG2-CD1 3.89Å; V186-F232 HydrophobicContact CG2-CD2 4.4Å; V186-F232 HydrophobicContact CG2-CE1 4.22Å; V186-F232 HydrophobicContact CG2-CG 4Å; L211-F232 HydrophobicContact CD2-CD1 4.43Å; L211-F232 HydrophobicContact CD2-CE1 3.99Å; C229-F232 WeakPolarHBondContact O-CB 3.41Å; C229-F232 PolarHBondContact O-N 3.25Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.99Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 2.99Å; F232-G235 PolarHBondContact O-N 3.08Å; F232-F236 AromaticContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CB 4.38Å; F232-F236 HydrophobicContact CE2-CB 4.47Å; F232-F236 AromaticContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CE2 4.31Å; F232-F236 HydrophobicContact CE2-CG 4.29Å; F232-F236 HydrophobicContact CG-CD2 4.28Å; F232-F236 HydrophobicContact CZ-CB 4.22Å; F232-F236 HydrophobicContact CZ-CD2 4.3Å; F232-F236 PolarHBondContact O-N 2.82Å; F232-L246 HydrophobicContact CE1-CD1 4.09Å; F232-L246 HydrophobicContact CZ-CD1 3.92Å |
| 233 | A | 86.9 | Confident | 82 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -31.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L211 C229 K230 C237 R244 | L211-A233 HydrophobicContact CD1-CB 3.91Å; C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.96Å; K230-A233 PolarHBondContact O-N 3.5Å; A233-C237 HydrophobicContact CB-CB 4.43Å; A233-C237 WeakPolarHBondContact O-CA 3.17Å; A233-C237 VanDerWaalsContact O-CB 3.26Å; A233-C237 WeakPolarHBondContact O-CB 3.15Å; A233-C237 PolarHBondContact O-N 3.11Å; A233-R244 HydrophobicContact CB-CG 4.48Å; A233-R244 PolarHBondContact O-NH1 2.78Å |
| 234 | E | 86.6 | Confident | 83 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.9 | -34.6 | 173.5 | -73.2 | 176.2 | 168.1 | 0 | 0 | 112.2 | K230 F232 | K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.41Å; K230-E234 PolarHBondContact O-N 2.87Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 2.99Å |
| 235 | G | 87.1 | Confident | 83.9 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -82.2 | -31.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | P231 F232 | P231-G235 PolarHBondContact O-N 2.81Å; P231-G235 VanDerWaalsContact O-N 3.1Å; F232-G235 PolarHBondContact O-N 3.08Å |
| 236 | F | 91.3 | Very high | 84.8 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -129.8 | -5.7 | -168.2 | -61.5 | -73 | 0 | 0 | 0 | 115.3 | L150 F232 L246 S247 V251 W254 | L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD1-CD1 3.53Å; L150-F236 HydrophobicContact CD1-CD2 4.39Å; L150-F236 HydrophobicContact CD1-CE1 3.37Å; L150-F236 HydrophobicContact CD1-CE2 4.27Å; L150-F236 HydrophobicContact CD1-CG 4.04Å; L150-F236 HydrophobicContact CD1-CZ 3.78Å; L150-F236 HydrophobicContact CG-CD1 4.28Å; L150-F236 HydrophobicContact CG-CD2 4.3Å; L150-F236 HydrophobicContact CG-CE1 3.99Å; L150-F236 HydrophobicContact CG-CE2 4.02Å; L150-F236 HydrophobicContact CG-CG 4.43Å; L150-F236 HydrophobicContact CG-CZ 3.85Å; F232-F236 AromaticContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CB 4.38Å; F232-F236 HydrophobicContact CE2-CB 4.47Å; F232-F236 AromaticContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CE2 4.31Å; F232-F236 HydrophobicContact CE2-CG 4.29Å; F232-F236 HydrophobicContact CG-CD2 4.28Å; F232-F236 HydrophobicContact CZ-CB 4.22Å; F232-F236 HydrophobicContact CZ-CD2 4.3Å; F232-F236 PolarHBondContact O-N 2.82Å; F236-L246 HydrophobicContact CB-CD1 3.91Å; F236-S247 PolarHBondContact O-N 2.93Å; F236-V251 HydrophobicContact CD1-CG2 4.11Å; F236-W254 HydrophobicContact CE1-CB 3.61Å; F236-W254 AromaticContact CE1-CD1 3.93Å; F236-W254 HydrophobicContact CE1-CD2 4.04Å; F236-W254 AromaticContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CZ-CB 4.32Å; F236-W254 AromaticContact CZ-CD1 3.75Å; F236-W254 HydrophobicContact CZ-CD2 4.22Å; F236-W254 AromaticContact CZ-CG 3.84Å; F236-W254 HydrophobicContact CZ-CG 3.84Å |
| 237 | C | 91.5 | Very high | 85.7 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.6 | -177 | -60 | 0 | 0 | 0 | 0 | 113.2 | A233 R244 H245 | A233-C237 HydrophobicContact CB-CB 4.43Å; A233-C237 WeakPolarHBondContact O-CA 3.17Å; A233-C237 VanDerWaalsContact O-CB 3.26Å; A233-C237 WeakPolarHBondContact O-CB 3.15Å; A233-C237 PolarHBondContact O-N 3.11Å; C237-R244 HydrophobicContact CB-CB 4.17Å; C237-H245 CarbonylContact C-O 3.6Å; C237-H245 WeakPolarHBondContact CA-O 3.48Å; C237-H245 WeakPolarHBondContact CB-O 3.48Å |
| 238 | V | 90.8 | Very high | 86.5 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.9 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | V240 H245 L250 A345 | V238-V240 HydrophobicContact CG2-CG2 4.16Å; V238-H245 PolarHBondContact N-O 2.91Å; V238-H245 PolarHBondContact O-N 3.42Å; V238-L250 HydrophobicContact CG1-CD1 4.34Å; V238-A345 HydrophobicContact CG2-CB 3.72Å |
| 239 | D | 87.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.4 | 173 | -83.2 | -43.8 | 0 | 0 | 0 | 110.1 | R244 | D239-R244 WeakPolarHBondContact OD1-CD 3.48Å; D239-R244 WeakPolarHBondContact OD1-CG 3.38Å; D239-R244 IonicContact OD1-CZ 2.66Å; D239-R244 IonicContact OD1-NE 3.54Å; D239-R244 PolarHBondContact OD1-NE 2.91Å; D239-R244 IonicContact OD2-CZ 3.62Å; D239-R244 IonicContact OD2-NE 3.27Å; D239-R244 PolarHBondContact OD2-NE 3.05Å; D239-R244 IonicContact OD2-NH2 3.34Å; D239-R244 PolarHBondContact OD2-NH2 3.02Å |
| 240 | V | 83.3 | Confident | 87.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.6 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 106.3 | V238 G242 R243 L341 R342 A345 | V238-V240 HydrophobicContact CG2-CG2 4.16Å; V240-G242 VanDerWaalsContact C-N 3.28Å; V240-G242 PolarHBondContact O-N 2.91Å; V240-R243 PolarHBondContact N-O 3.47Å; V240-R243 PolarHBondContact O-N 3.17Å; V240-R243 VanDerWaalsContact O-O 3.13Å; V240-L341 HydrophobicContact CG1-CD2 3.67Å; V240-R342 HydrophobicContact CG2-CB 4.5Å; V240-A345 HydrophobicContact CG2-CB 4.13Å |
| 241 | Q | 78.1 | Confident | 88.3 | Confident | 140 Ų | 140 | 42.6 Ų | 42.6 | 65% | 0.654 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.6 | -177.2 | -57.2 | 179.5 | -12.3 | 0 | 0 | 113.8 | R243 G339 | Q241-R243 PolarHBondContact O-N 3.43Å; Q241-G339 PolarHBondContact NE2-O 3.39Å |
| 242 | G | 79.6 | Confident | 88.7 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 76% | 0.763 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 8.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V240 | V240-G242 VanDerWaalsContact C-N 3.28Å; V240-G242 PolarHBondContact O-N 2.91Å |
| 243 | R | 84.6 | Confident | 88.9 | Confident | 164 Ų | 164 | 44.1 Ų | 44.1 | 62% | 0.619 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.1 | 173.3 | -67 | -175 | 178.5 | -163.8 | 0.1 | 111.2 | V240 Q241 H245 | V240-R243 PolarHBondContact N-O 3.47Å; V240-R243 PolarHBondContact O-N 3.17Å; V240-R243 VanDerWaalsContact O-O 3.13Å; Q241-R243 PolarHBondContact O-N 3.43Å; R243-H245 PolarHBondContact O-N 3.37Å; R243-H245 PolarHBondContact O-ND1 2.92Å |
| 244 | R | 89.4 | Confident | 89.1 | Confident | 95 Ų | 95 | 45.7 Ų | 45.7 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119 | 175.6 | -70.7 | -76.1 | 168.6 | 148 | -3.2 | 110.7 | L211 A233 C237 D239 | L211-R244 HydrophobicContact CD1-CB 3.99Å; L211-R244 HydrophobicContact CG-CB 4.28Å; L211-R244 PolarHBondContact N-O 3.5Å; A233-R244 HydrophobicContact CB-CG 4.48Å; A233-R244 PolarHBondContact O-NH1 2.78Å; C237-R244 HydrophobicContact CB-CB 4.17Å; D239-R244 WeakPolarHBondContact OD1-CD 3.48Å; D239-R244 WeakPolarHBondContact OD1-CG 3.38Å; D239-R244 IonicContact OD1-CZ 2.66Å; D239-R244 IonicContact OD1-NE 3.54Å; D239-R244 PolarHBondContact OD1-NE 2.91Å; D239-R244 IonicContact OD2-CZ 3.62Å; D239-R244 IonicContact OD2-NE 3.27Å; D239-R244 PolarHBondContact OD2-NE 3.05Å; D239-R244 IonicContact OD2-NH2 3.34Å; D239-R244 PolarHBondContact OD2-NH2 3.02Å |
| 245 | H | 91.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.9 | 177.1 | -68.1 | 78.6 | 0 | 0 | 0 | 110.9 | C209 C237 V238 R243 S247 A345 | C209-H245 CarbonylContact O-C 3.57Å; C209-H245 VanDerWaalsContact O-CA 3.26Å; C209-H245 WeakPolarHBondContact O-CA 3.29Å; C237-H245 CarbonylContact C-O 3.6Å; C237-H245 WeakPolarHBondContact CA-O 3.48Å; C237-H245 WeakPolarHBondContact CB-O 3.48Å; V238-H245 PolarHBondContact N-O 2.91Å; V238-H245 PolarHBondContact O-N 3.42Å; R243-H245 PolarHBondContact O-N 3.37Å; R243-H245 PolarHBondContact O-ND1 2.92Å; H245-S247 PolarHBondContact O-N 3.27Å; H245-A345 HydrophobicContact CB-CB 4.35Å |
| 246 | L | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.5 | 176.2 | -170.7 | 72.1 | 0 | 0 | 0 | 110.2 | L188 C209 F232 F236 V251 V313 W347 | L188-L246 HydrophobicContact CD1-CD2 3.92Å; L188-L246 HydrophobicContact CD2-CB 4.4Å; L188-L246 HydrophobicContact CD2-CD2 4.39Å; C209-L246 HydrophobicContact CB-CB 4.3Å; C209-L246 PolarHBondContact O-N 3.37Å; F232-L246 HydrophobicContact CE1-CD1 4.09Å; F232-L246 HydrophobicContact CZ-CD1 3.92Å; F236-L246 HydrophobicContact CB-CD1 3.91Å; L246-V251 HydrophobicContact CD1-CG2 3.99Å; L246-V251 HydrophobicContact CD2-CG2 4.42Å; L246-V251 HydrophobicContact CG-CG2 4.13Å; L246-V313 HydrophobicContact CD2-CG2 4.2Å; L246-W347 HydrophobicContact CB-CZ2 4.47Å; L246-W347 HydrophobicContact CD2-CH2 4.12Å; L246-W347 HydrophobicContact CD2-CZ2 3.47Å; L246-W347 VanDerWaalsContact CD2-CZ2 3.47Å; L246-W347 HydrophobicContact CG-CZ2 3.71Å; L246-W347 PolarHBondContact O-NE1 2.77Å |
| 247 | S | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -90.7 | 121.6 | 179 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F236 H245 T249 L250 V251 E344 | F236-S247 PolarHBondContact O-N 2.93Å; H245-S247 PolarHBondContact O-N 3.27Å; S247-T249 VanDerWaalsContact C-N 3.26Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.39Å; S247-L250 PolarHBondContact O-N 2.64Å; S247-L250 PolarHBondContact OG-N 3.01Å; S247-L250 VanDerWaalsContact OG-N 3.11Å; S247-V251 WeakPolarHBondContact O-CG2 3.1Å; S247-V251 PolarHBondContact O-N 2.89Å; S247-V251 VanDerWaalsContact O-N 3.1Å; S247-E344 CarbonylContact C-O 3.55Å; S247-E344 WeakPolarHBondContact CA-O 3.34Å; S247-E344 WeakPolarHBondContact CB-O 3.19Å; S247-E344 PolarHBondContact OG-O 3.45Å | ||
| 248 | A | 92.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V251 L252 A323 E344 L346 W347 | A248-V251 PolarHBondContact O-N 2.79Å; A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.81Å; A248-A323 HydrophobicContact CB-CB 4.22Å; A248-E344 PolarHBondContact N-O 2.74Å; A248-L346 WeakPolarHBondContact CB-O 3.48Å; A248-W347 HydrophobicContact CB-CD2 3.9Å; A248-W347 HydrophobicContact CB-CE3 4.15Å; A248-W347 HydrophobicContact CB-CG 4.43Å; A248-W347 HydrophobicContact CB-CH2 4.19Å; A248-W347 HydrophobicContact CB-CZ2 3.88Å; A248-W347 HydrophobicContact CB-CZ3 4.32Å |
| 249 | T | 91.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -47 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | S247 L252 R253 E344 | S247-T249 VanDerWaalsContact C-N 3.26Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.39Å; T249-L252 PolarHBondContact O-N 2.83Å; T249-R253 VanDerWaalsContact CG2-NH2 3.34Å; T249-R253 WeakPolarHBondContact O-CG 3.32Å; T249-R253 PolarHBondContact O-N 3.44Å; T249-E344 HydrophobicContact CG2-CG 4.5Å; T249-E344 WeakPolarHBondContact OG1-CA 3.39Å |
| 250 | L | 91.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.5 | -66.4 | 177.8 | 0 | 0 | 0 | 111.6 | V238 S247 L252 R253 W254 | V238-L250 HydrophobicContact CG1-CD1 4.34Å; S247-L250 PolarHBondContact O-N 2.64Å; S247-L250 PolarHBondContact OG-N 3.01Å; S247-L250 VanDerWaalsContact OG-N 3.11Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.86Å; L250-R253 PolarHBondContact O-N 2.77Å; L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.99Å |
| 251 | V | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | L150 L180 F236 L246 S247 A248 W254 F255 W347 | L150-V251 HydrophobicContact CD1-CB 4.43Å; L150-V251 HydrophobicContact CD1-CG1 4.05Å; L150-V251 HydrophobicContact CD1-CG2 3.9Å; L180-V251 HydrophobicContact CD1-CG1 3.55Å; F236-V251 HydrophobicContact CD1-CG2 4.11Å; L246-V251 HydrophobicContact CD1-CG2 3.99Å; L246-V251 HydrophobicContact CD2-CG2 4.42Å; L246-V251 HydrophobicContact CG-CG2 4.13Å; S247-V251 WeakPolarHBondContact O-CG2 3.1Å; S247-V251 PolarHBondContact O-N 2.89Å; S247-V251 VanDerWaalsContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 2.79Å; V251-W254 PolarHBondContact O-N 3.3Å; V251-F255 VanDerWaalsContact O-CB 3.23Å; V251-F255 WeakPolarHBondContact O-CB 3.16Å; V251-F255 PolarHBondContact O-N 2.96Å; V251-W347 HydrophobicContact CB-CH2 4Å; V251-W347 HydrophobicContact CB-CZ2 4.35Å; V251-W347 HydrophobicContact CG1-CH2 4.06Å; V251-W347 HydrophobicContact CG2-CH2 4.04Å; V251-W347 HydrophobicContact CG2-CZ2 4.03Å |
| 252 | L | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 179.4 | 179.3 | 59.7 | 0 | 0 | 0 | 112.1 | A248 T249 L250 F255 Q256 L283 Q285 P311 A323 | A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.81Å; T249-L252 PolarHBondContact O-N 2.83Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.86Å; L252-F255 WeakPolarHBondContact O-CB 3.5Å; L252-F255 PolarHBondContact O-N 3.42Å; L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 WeakPolarHBondContact O-CG 3.45Å; L252-Q256 PolarHBondContact O-N 2.93Å; L252-L283 WeakPolarHBondContact CD2-O 3.26Å; L252-Q285 WeakPolarHBondContact CD2-O 3.49Å; L252-P311 HydrophobicContact CD1-CG 3.85Å; L252-A323 HydrophobicContact CD2-CB 4.41Å |
| 253 | R | 91.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 175.1 | -72.2 | 179.3 | -161.7 | 165.9 | 10.4 | 111.5 | T249 L250 F255 Q256 A257 E344 | T249-R253 VanDerWaalsContact CG2-NH2 3.34Å; T249-R253 WeakPolarHBondContact O-CG 3.32Å; T249-R253 PolarHBondContact O-N 3.44Å; L250-R253 PolarHBondContact O-N 2.77Å; R253-F255 VanDerWaalsContact C-N 3.32Å; R253-F255 PolarHBondContact O-N 2.92Å; R253-Q256 PolarHBondContact O-N 2.86Å; R253-A257 PolarHBondContact O-N 3.01Å; R253-A257 VanDerWaalsContact O-N 3.15Å; R253-E344 IonicContact NH2-OE1 3.6Å |
| 254 | W | 92.4 | Very high | 92.1 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 17% | 0.167 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.5 | 168.2 | 88.1 | 0 | 0 | 0 | 111.6 | L150 F152 L180 F236 L250 V251 Q256 A257 H258 | L150-W254 HydrophobicContact CB-CD2 4.24Å; L150-W254 HydrophobicContact CB-CE3 4.07Å; L150-W254 HydrophobicContact CB-CH2 3.61Å; L150-W254 HydrophobicContact CB-CZ2 3.77Å; L150-W254 HydrophobicContact CB-CZ3 3.76Å; L150-W254 HydrophobicContact CD1-CD2 4.42Å; L150-W254 HydrophobicContact CD1-CE3 3.99Å; L150-W254 HydrophobicContact CD1-CZ3 4.24Å; L150-W254 WeakPolarHBondContact O-CZ2 3.45Å; F152-W254 HydrophobicContact CD1-CH2 4.2Å; F152-W254 HydrophobicContact CE1-CH2 4.12Å; F152-W254 HydrophobicContact CE1-CZ3 4.27Å; L180-W254 HydrophobicContact CD1-CZ3 4.25Å; L180-W254 HydrophobicContact CD2-CH2 4.47Å; L180-W254 HydrophobicContact CD2-CZ3 3.95Å; F236-W254 HydrophobicContact CE1-CB 3.61Å; F236-W254 AromaticContact CE1-CD1 3.93Å; F236-W254 HydrophobicContact CE1-CD2 4.04Å; F236-W254 AromaticContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CZ-CB 4.32Å; F236-W254 AromaticContact CZ-CD1 3.75Å; F236-W254 HydrophobicContact CZ-CD2 4.22Å; F236-W254 AromaticContact CZ-CG 3.84Å; F236-W254 HydrophobicContact CZ-CG 3.84Å; L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.99Å; V251-W254 PolarHBondContact O-N 3.3Å; W254-Q256 PolarHBondContact O-N 2.94Å; W254-A257 PolarHBondContact O-N 3.26Å; W254-H258 HydrophobicContact CZ2-CB 4.19Å; W254-H258 AromaticContact CZ2-CG 3.97Å; W254-H258 WeakPolarHBondContact O-CB 3.47Å; W254-H258 PolarHBondContact O-N 2.82Å |
| 255 | F | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | -179.7 | 179 | -103 | 0 | 0 | 0 | 112 | F152 V178 L180 V251 L252 R253 H258 L259 P287 L309 P311 | F152-F255 HydrophobicContact CD1-CD2 4.5Å; F152-F255 HydrophobicContact CD1-CE2 4.33Å; F152-F255 AromaticContact CE1-CD2 3.46Å; F152-F255 HydrophobicContact CE1-CD2 3.46Å; F152-F255 VanDerWaalsContact CE1-CD2 3.46Å; F152-F255 AromaticContact CE1-CE2 3.42Å; F152-F255 HydrophobicContact CE1-CE2 3.42Å; F152-F255 VanDerWaalsContact CE1-CE2 3.42Å; F152-F255 AromaticContact CZ-CD2 3.92Å; F152-F255 HydrophobicContact CZ-CD2 3.92Å; F152-F255 AromaticContact CZ-CE2 3.63Å; F152-F255 HydrophobicContact CZ-CE2 3.63Å; V178-F255 HydrophobicContact CB-CE2 3.84Å; V178-F255 HydrophobicContact CB-CZ 3.84Å; V178-F255 HydrophobicContact CG1-CE2 3.83Å; V178-F255 HydrophobicContact CG1-CZ 4.24Å; V178-F255 HydrophobicContact CG2-CE2 4.4Å; V178-F255 HydrophobicContact CG2-CZ 3.96Å; L180-F255 HydrophobicContact CD2-CD2 4.11Å; L180-F255 HydrophobicContact CD2-CE2 4.34Å; V251-F255 VanDerWaalsContact O-CB 3.23Å; V251-F255 WeakPolarHBondContact O-CB 3.16Å; V251-F255 PolarHBondContact O-N 2.96Å; L252-F255 WeakPolarHBondContact O-CB 3.5Å; L252-F255 PolarHBondContact O-N 3.42Å; R253-F255 VanDerWaalsContact C-N 3.32Å; R253-F255 PolarHBondContact O-N 2.92Å; F255-H258 PolarHBondContact O-N 2.93Å; F255-L259 HydrophobicContact CD1-CD1 3.7Å; F255-L259 HydrophobicContact CD1-CG 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.13Å; F255-L259 HydrophobicContact CE1-CG 3.94Å; F255-L259 HydrophobicContact CE2-CD1 4.24Å; F255-L259 HydrophobicContact CE2-CG 4.22Å; F255-L259 HydrophobicContact CG-CD1 4.45Å; F255-L259 HydrophobicContact CZ-CD1 3.45Å; F255-L259 VanDerWaalsContact CZ-CD1 3.45Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.11Å; F255-L259 WeakPolarHBondContact O-CG 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å; F255-P287 HydrophobicContact CD1-CG 4.05Å; F255-P287 HydrophobicContact CE1-CG 3.9Å; F255-L309 HydrophobicContact CE1-CB 4.17Å; F255-L309 WeakPolarHBondContact CE1-O 3.43Å; F255-L309 HydrophobicContact CZ-CB 4.25Å; F255-P311 HydrophobicContact CB-CB 4.15Å; F255-P311 HydrophobicContact CB-CG 4.34Å; F255-P311 HydrophobicContact CD1-CB 3.99Å; F255-P311 HydrophobicContact CD1-CG 3.9Å; F255-P311 HydrophobicContact CD2-CB 3.78Å; F255-P311 HydrophobicContact CE1-CB 4.28Å; F255-P311 HydrophobicContact CE1-CG 4.3Å; F255-P311 HydrophobicContact CE2-CB 4.12Å; F255-P311 HydrophobicContact CG-CB 3.72Å; F255-P311 HydrophobicContact CG-CG 4.04Å; F255-P311 HydrophobicContact CZ-CB 4.36Å |
| 256 | Q | 92.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 176.1 | -71.3 | 179.9 | 2.9 | 0 | 0 | 111.6 | L252 R253 W254 H258 L259 Q260 G281 Q285 P287 | L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 WeakPolarHBondContact O-CG 3.45Å; L252-Q256 PolarHBondContact O-N 2.93Å; R253-Q256 PolarHBondContact O-N 2.86Å; W254-Q256 PolarHBondContact O-N 2.94Å; Q256-H258 VanDerWaalsContact C-N 3.32Å; Q256-H258 PolarHBondContact O-N 2.91Å; Q256-L259 PolarHBondContact O-N 3.28Å; Q256-Q260 WeakPolarHBondContact O-CG 3.46Å; Q256-Q260 PolarHBondContact O-N 3.33Å; Q256-G281 PolarHBondContact NE2-O 2.95Å; Q256-Q285 PolarHBondContact NE2-O 3.42Å; Q256-P287 HydrophobicContact CG-CB 4.18Å; Q256-P287 HydrophobicContact CG-CG 3.96Å |
| 257 | A | 91.1 | Very high | 92 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R253 W254 Q260 R261 | R253-A257 PolarHBondContact O-N 3.01Å; R253-A257 VanDerWaalsContact O-N 3.15Å; W254-A257 PolarHBondContact O-N 3.26Å; A257-Q260 PolarHBondContact O-N 3.2Å; A257-R261 WeakPolarHBondContact O-CG 3.37Å; A257-R261 PolarHBondContact O-N 2.94Å; A257-R261 VanDerWaalsContact O-N 3.15Å |
| 258 | H | 92 | Very high | 91.8 | Very high | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 177.7 | -161.6 | 60.7 | 0 | 0 | 0 | 112.4 | G134 F152 W254 F255 Q256 R261 S262 | G134-H258 PolarHBondContact O-NE2 3.05Å; F152-H258 AromaticContact CE1-CD2 3.6Å; F152-H258 AromaticContact CE2-CD2 3.93Å; F152-H258 AromaticContact CZ-CD2 3.55Å; W254-H258 HydrophobicContact CZ2-CB 4.19Å; W254-H258 AromaticContact CZ2-CG 3.97Å; W254-H258 WeakPolarHBondContact O-CB 3.47Å; W254-H258 PolarHBondContact O-N 2.82Å; F255-H258 PolarHBondContact O-N 2.93Å; Q256-H258 VanDerWaalsContact C-N 3.32Å; Q256-H258 PolarHBondContact O-N 2.91Å; H258-R261 PolarHBondContact O-N 3.16Å; H258-S262 WeakPolarHBondContact O-CB 3.18Å; H258-S262 PolarHBondContact O-N 3.41Å; H258-S262 PolarHBondContact O-OG 3.09Å |
| 259 | L | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 173.8 | -81.4 | 179.8 | 0 | 0 | 0 | 112.4 | L130 F152 F255 Q256 R261 S262 L263 L278 P287 L309 | L130-L259 HydrophobicContact CD2-CD2 3.93Å; L130-L259 HydrophobicContact CG-CD2 4.12Å; F152-L259 HydrophobicContact CE2-CD2 3.81Å; F152-L259 HydrophobicContact CZ-CD2 3.66Å; F152-L259 HydrophobicContact CZ-CG 3.97Å; F255-L259 HydrophobicContact CD1-CD1 3.7Å; F255-L259 HydrophobicContact CD1-CG 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.13Å; F255-L259 HydrophobicContact CE1-CG 3.94Å; F255-L259 HydrophobicContact CE2-CD1 4.24Å; F255-L259 HydrophobicContact CE2-CG 4.22Å; F255-L259 HydrophobicContact CG-CD1 4.45Å; F255-L259 HydrophobicContact CZ-CD1 3.45Å; F255-L259 VanDerWaalsContact CZ-CD1 3.45Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.11Å; F255-L259 WeakPolarHBondContact O-CG 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å; Q256-L259 PolarHBondContact O-N 3.28Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 2.66Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 PolarHBondContact O-N 3.23Å; L259-L278 HydrophobicContact CB-CD2 3.97Å; L259-P287 HydrophobicContact CD1-CG 3.53Å; L259-L309 HydrophobicContact CD1-CB 4.06Å; L259-L309 HydrophobicContact CD1-CD1 3.72Å; L259-L309 HydrophobicContact CD2-CD1 4.09Å |
| 260 | Q | 92.6 | Very high | 91.3 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 177 | -76.2 | 173.6 | -13.8 | 0 | 0 | 111.2 | Q256 A257 L263 A264 L278 | Q256-Q260 WeakPolarHBondContact O-CG 3.46Å; Q256-Q260 PolarHBondContact O-N 3.33Å; A257-Q260 PolarHBondContact O-N 3.2Å; Q260-L263 PolarHBondContact O-N 3.38Å; Q260-A264 PolarHBondContact O-N 3.22Å; Q260-L278 HydrophobicContact CB-CD2 4.49Å; Q260-L278 HydrophobicContact CG-CD2 3.69Å |
| 261 | R | 92.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 54 Ų | 54 | 48% | 0.475 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176.2 | -69.1 | -174.6 | -64.2 | -160.1 | 2.9 | 112.7 | A257 H258 L259 A264 T265 | A257-R261 WeakPolarHBondContact O-CG 3.37Å; A257-R261 PolarHBondContact O-N 2.94Å; A257-R261 VanDerWaalsContact O-N 3.15Å; H258-R261 PolarHBondContact O-N 3.16Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 2.66Å; R261-A264 PolarHBondContact O-N 2.98Å; R261-T265 PolarHBondContact O-N 3.01Å; R261-T265 PolarHBondContact O-OG1 2.92Å |
| 262 | S | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111 | G134 H258 L259 A264 T265 V266 | G134-S262 WeakPolarHBondContact CA-OG 3.43Å; H258-S262 WeakPolarHBondContact O-CB 3.18Å; H258-S262 PolarHBondContact O-N 3.41Å; H258-S262 PolarHBondContact O-OG 3.09Å; L259-S262 PolarHBondContact O-N 3.07Å; S262-A264 PolarHBondContact O-N 3.32Å; S262-T265 VanDerWaalsContact O-CB 3.31Å; S262-T265 WeakPolarHBondContact O-CB 3.33Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 VanDerWaalsContact O-N 3.07Å; S262-V266 PolarHBondContact O-N 2.96Å |
| 263 | L | 93.1 | Very high | 89.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.6 | 180 | 60.8 | 0 | 0 | 0 | 111.3 | L130 L259 Q260 T265 V266 R267 V276 L278 L289 | L130-L263 HydrophobicContact CD1-CB 3.92Å; L130-L263 HydrophobicContact CD1-CD1 4.48Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 PolarHBondContact O-N 3.23Å; Q260-L263 PolarHBondContact O-N 3.38Å; L263-T265 PolarHBondContact O-N 3.26Å; L263-T265 VanDerWaalsContact O-N 3.14Å; L263-V266 HydrophobicContact CD1-CG2 4.24Å; L263-V266 PolarHBondContact O-N 3.49Å; L263-V266 VanDerWaalsContact O-N 3.16Å; L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.32Å; L263-R267 PolarHBondContact O-N 2.89Å; L263-V276 HydrophobicContact CD1-CB 4.37Å; L263-V276 HydrophobicContact CD1-CG1 3.76Å; L263-V276 HydrophobicContact CD2-CG1 4.46Å; L263-L278 HydrophobicContact CD2-CB 3.67Å; L263-L289 HydrophobicContact CD1-CD1 4.46Å; L263-L289 HydrophobicContact CD2-CD1 4.31Å |
| 264 | A | 91.9 | Very high | 89.5 | Confident | 72 Ų | 72 | 55 Ų | 55 | 60% | 0.595 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56.5 | -29.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q260 R261 S262 | Q260-A264 PolarHBondContact O-N 3.22Å; R261-A264 PolarHBondContact O-N 2.98Å; S262-A264 PolarHBondContact O-N 3.32Å |
| 265 | T | 91.1 | Very high | 89.4 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.7 | -41.7 | 178.7 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | R137 R261 S262 L263 | R137-T265 PolarHBondContact NE-OG1 3.28Å; R137-T265 PolarHBondContact NH2-OG1 2.96Å; R261-T265 PolarHBondContact O-N 3.01Å; R261-T265 PolarHBondContact O-OG1 2.92Å; S262-T265 VanDerWaalsContact O-CB 3.31Å; S262-T265 WeakPolarHBondContact O-CB 3.33Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 VanDerWaalsContact O-N 3.07Å; L263-T265 PolarHBondContact O-N 3.26Å; L263-T265 VanDerWaalsContact O-N 3.14Å |
| 266 | V | 91.8 | Very high | 89.3 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -90.6 | -11.9 | -175.5 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | L130 A133 S262 L263 Y268 S269 L270 | L130-V266 HydrophobicContact CD1-CG2 4.19Å; A133-V266 HydrophobicContact CB-CG1 3.42Å; A133-V266 VanDerWaalsContact CB-CG1 3.42Å; S262-V266 PolarHBondContact O-N 2.96Å; L263-V266 HydrophobicContact CD1-CG2 4.24Å; L263-V266 PolarHBondContact O-N 3.49Å; L263-V266 VanDerWaalsContact O-N 3.16Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.24Å; V266-S269 WeakPolarHBondContact O-CB 3.43Å; V266-S269 PolarHBondContact O-N 3.46Å; V266-S269 VanDerWaalsContact O-N 3.07Å; V266-L270 HydrophobicContact CB-CD1 4.26Å; V266-L270 HydrophobicContact CG2-CD1 3.78Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.15Å |
| 267 | R | 89.4 | Confident | 89.3 | Confident | 134 Ų | 134 | 63.6 Ų | 63.6 | 51% | 0.506 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.7 | -48.4 | -173.3 | -177.2 | 173.7 | 177 | 150.7 | -0.1 | 112.8 | L263 S269 L270 E271 | L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.32Å; L263-R267 PolarHBondContact O-N 2.89Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.96Å; R267-L270 PolarHBondContact O-N 3.29Å; R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.04Å; R267-E271 PolarHBondContact NE-OE1 2.75Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 2.99Å |
| 268 | Y | 87.4 | Confident | 89.5 | Confident | 198 Ų | 198 | 63 Ų | 63 | 78% | 0.776 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60 | -41.3 | 179.9 | -176.9 | -102.4 | 0 | 0 | 0 | 112.6 | V266 L270 E271 | V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.24Å; Y268-L270 PolarHBondContact O-N 2.88Å; Y268-E271 PolarHBondContact O-N 2.7Å |
| 269 | S | 87 | Confident | 89.5 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 49% | 0.49 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -25.5 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 113.1 | V266 R267 R273 | V266-S269 WeakPolarHBondContact O-CB 3.43Å; V266-S269 PolarHBondContact O-N 3.46Å; V266-S269 VanDerWaalsContact O-N 3.07Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.96Å; S269-R273 PolarHBondContact O-NE 3.04Å; S269-R273 PolarHBondContact O-NH2 3.32Å; S269-R273 PolarHBondContact OG-NH2 2.87Å; S269-R273 VanDerWaalsContact OG-NH2 3.16Å |
| 270 | L | 87.1 | Confident | 89.2 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -90.4 | -28 | -178.1 | -66 | 173.1 | 0 | 0 | 0 | 113 | I126 E129 V266 R267 Y268 G272 R273 C274 V276 | I126-L270 HydrophobicContact CG1-CD2 4.14Å; I126-L270 HydrophobicContact CG2-CD1 4.27Å; E129-L270 WeakPolarHBondContact OE2-CD2 3.44Å; V266-L270 HydrophobicContact CB-CD1 4.26Å; V266-L270 HydrophobicContact CG2-CD1 3.78Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.15Å; R267-L270 PolarHBondContact O-N 3.29Å; Y268-L270 PolarHBondContact O-N 2.88Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 3.01Å; L270-G272 VanDerWaalsContact O-N 3.15Å; L270-R273 PolarHBondContact O-N 3Å; L270-C274 CarbonylContact C-O 3.4Å; L270-C274 PolarHBondContact O-N 2.83Å; L270-V276 HydrophobicContact CB-CG2 4.46Å; L270-V276 HydrophobicContact CD1-CG2 4.17Å |
| 271 | E | 83.8 | Confident | 88.5 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.6 | -33.8 | -172.8 | -84.6 | 171.2 | 178 | 0 | 0 | 113.9 | R267 Y268 R273 | R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.04Å; R267-E271 PolarHBondContact NE-OE1 2.75Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 2.99Å; Y268-E271 PolarHBondContact O-N 2.7Å; E271-R273 PolarHBondContact O-N 2.76Å |
| 272 | G | 78.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 62% | 0.619 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L270 | L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 3.01Å; L270-G272 VanDerWaalsContact O-N 3.15Å |
| 273 | R | 81.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -43.2 | -170.9 | -64.5 | 178.3 | -80.3 | 161.9 | -5.6 | 112.4 | E129 S269 L270 E271 C294 | E129-R273 IonicContact OE1-CZ 3.5Å; E129-R273 IonicContact OE1-NH1 2.75Å; E129-R273 PolarHBondContact OE1-NH1 2.75Å; E129-R273 IonicContact OE1-NH2 3.29Å; E129-R273 PolarHBondContact OE1-NH2 2.93Å; E129-R273 IonicContact OE2-CZ 3.71Å; E129-R273 IonicContact OE2-NH1 3.71Å; E129-R273 IonicContact OE2-NH2 2.82Å; E129-R273 PolarHBondContact OE2-NH2 3.27Å; S269-R273 PolarHBondContact O-NE 3.04Å; S269-R273 PolarHBondContact O-NH2 3.32Å; S269-R273 PolarHBondContact OG-NH2 2.87Å; S269-R273 VanDerWaalsContact OG-NH2 3.16Å; L270-R273 PolarHBondContact O-N 3Å; E271-R273 PolarHBondContact O-N 2.76Å; R273-C294 PolarHBondContact O-N 3.04Å; R273-C294 VanDerWaalsContact O-N 3.09Å |
| 274 | C | 86.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 147.8 | -174.7 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | I126 L270 V276 I291 L292 | I126-C274 HydrophobicContact CD1-CB 4.31Å; I126-C274 WeakPolarHBondContact CD1-SG 3.11Å; L270-C274 CarbonylContact C-O 3.4Å; L270-C274 PolarHBondContact O-N 2.83Å; C274-V276 HydrophobicContact CB-CG2 4.37Å; C274-V276 VanDerWaalsContact SG-CG2 3.53Å; C274-I291 HydrophobicContact CB-CG2 4.26Å; C274-L292 CarbonylContact C-O 3.45Å; C274-L292 WeakPolarHBondContact CA-O 2.88Å |
| 275 | R | 89.2 | Confident | 85.4 | Confident | 180 Ų | 180 | 69.9 Ų | 69.9 | 68% | 0.679 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.8 | 165.5 | -176.2 | 177.5 | -177.7 | 179.9 | 1.2 | 108.3 | L292 C294 | R275-L292 HydrophobicContact CB-CB 4.32Å; R275-L292 PolarHBondContact N-O 2.99Å; R275-L292 PolarHBondContact O-N 2.76Å; R275-C294 PolarHBondContact N-SG 3.42Å |
| 276 | V | 92.7 | Very high | 85.3 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133 | -180 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | I126 L263 L270 C274 L289 H290 | I126-V276 HydrophobicContact CG2-CG2 4.4Å; L263-V276 HydrophobicContact CD1-CB 4.37Å; L263-V276 HydrophobicContact CD1-CG1 3.76Å; L263-V276 HydrophobicContact CD2-CG1 4.46Å; L270-V276 HydrophobicContact CB-CG2 4.46Å; L270-V276 HydrophobicContact CD1-CG2 4.17Å; C274-V276 HydrophobicContact CB-CG2 4.37Å; C274-V276 VanDerWaalsContact SG-CG2 3.53Å; V276-L289 HydrophobicContact CG1-CD1 3.33Å; V276-L289 HydrophobicContact CG1-CD2 4.37Å; V276-L289 HydrophobicContact CG1-CG 3.89Å; V276-H290 VanDerWaalsContact CA-O 3.31Å; V276-H290 WeakPolarHBondContact CA-O 3.48Å |
| 277 | S | 92 | Very high | 85.4 | Confident | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152 | 171.2 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | L289 H290 | S277-L289 CarbonylContact O-C 3.59Å; S277-H290 PolarHBondContact N-O 3.27Å; S277-H290 PolarHBondContact O-N 3.22Å |
| 278 | L | 94.1 | Very high | 85.7 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.7 | 178.3 | -173.1 | 69.8 | 0 | 0 | 0 | 108.6 | L259 Q260 L263 P287 L289 L309 | L259-L278 HydrophobicContact CB-CD2 3.97Å; Q260-L278 HydrophobicContact CB-CD2 4.49Å; Q260-L278 HydrophobicContact CG-CD2 3.69Å; L263-L278 HydrophobicContact CD2-CB 3.67Å; L278-P287 HydrophobicContact CD1-CB 4.05Å; L278-P287 HydrophobicContact CG-CB 4.47Å; L278-L289 HydrophobicContact CD1-CB 4.22Å; L278-L289 HydrophobicContact CD1-CD1 4.07Å; L278-L309 HydrophobicContact CD1-CD1 4.45Å |
| 279 | T | 93.6 | Very high | 86.1 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.9 | 170.1 | -55.4 | 0 | 0 | 0 | 0 | 107.1 | G281 T288 H290 | T279-G281 PolarHBondContact O-N 3.49Å; T279-T288 PolarHBondContact N-O 3.11Å; T279-T288 PolarHBondContact O-N 3.35Å; T279-H290 PolarHBondContact OG1-CD2 3.08Å; T279-H290 PolarHBondContact OG1-NE2 3.17Å |
| 280 | P | 86.6 | Confident | 86.5 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | trans | -60.4 | 138.1 | 173.7 | 26.8 | -32 | 0 | 0 | 0 | 108.6 | ||||
| 281 | G | 76.9 | Confident | 86.7 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | trans | -75.8 | 162.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q256 T279 Q285 | Q256-G281 PolarHBondContact NE2-O 2.95Å; T279-G281 PolarHBondContact O-N 3.49Å; G281-Q285 WeakPolarHBondContact CA-O 3.26Å | ||
| 282 | G | 77.1 | Confident | 87 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | trans | -59 | 179 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | E284 Q285 | G282-E284 PolarHBondContact O-N 2.77Å; G282-Q285 PolarHBondContact O-N 2.84Å | ||
| 283 | L | 70.4 | Confident | 87.3 | Confident | 113 Ų | 113 | 48.5 Ų | 48.5 | 59% | 0.592 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -30.1 | -175.3 | -71.8 | 171.4 | 0 | 0 | 0 | 114.5 | L252 | L252-L283 WeakPolarHBondContact CD2-O 3.26Š|
| 284 | E | 73.6 | Confident | 87 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 9 | -178.6 | -58.7 | -173.6 | 152 | 0 | 0 | 112.8 | G282 | G282-E284 PolarHBondContact O-N 2.77Š|
| 285 | Q | 83.9 | Confident | 86 | Confident | 100 Ų | 100 | 59 Ų | 59 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -111.7 | 135.4 | -177.1 | -67.2 | -177.7 | -3.3 | 0 | 0 | 112.1 | L252 Q256 G281 G282 | L252-Q285 WeakPolarHBondContact CD2-O 3.49Å; Q256-Q285 PolarHBondContact NE2-O 3.42Å; G281-Q285 WeakPolarHBondContact CA-O 3.26Å; G282-Q285 PolarHBondContact O-N 2.84Å |
| 286 | P | 88.5 | Confident | 84.7 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | trans | -62.4 | 143.5 | 173.1 | 27 | -35.6 | 0 | 0 | 0 | 111.2 | R308 L309 I310 | P286-R308 HydrophobicContact CB-CG 3.92Å; P286-R308 VanDerWaalsContact CG-CD 3.46Å; P286-R308 HydrophobicContact CG-CG 3.42Å; P286-R308 VanDerWaalsContact CG-CG 3.42Å; P286-L309 VanDerWaalsContact CB-O 3.22Å; P286-L309 WeakPolarHBondContact CB-O 3.48Å; P286-I310 HydrophobicContact CB-CG1 4.07Å; P286-I310 HydrophobicContact CG-CG1 4.16Å | ||
| 287 | P | 93.6 | Very high | 83 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -65.9 | 151.3 | 175.7 | 28.2 | -34.4 | 0 | 0 | 0 | 111.7 | F255 Q256 L259 L278 L309 | F255-P287 HydrophobicContact CD1-CG 4.05Å; F255-P287 HydrophobicContact CE1-CG 3.9Å; Q256-P287 HydrophobicContact CG-CB 4.18Å; Q256-P287 HydrophobicContact CG-CG 3.96Å; L259-P287 HydrophobicContact CD1-CG 3.53Å; L278-P287 HydrophobicContact CD1-CB 4.05Å; L278-P287 HydrophobicContact CG-CB 4.47Å; P287-L309 WeakPolarHBondContact CD-O 3.5Å; P287-L309 PolarHBondContact O-N 3.04Å | ||
| 288 | T | 95.8 | Very high | 81.6 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.7 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | T279 A306 V307 | T279-T288 PolarHBondContact N-O 3.11Å; T279-T288 PolarHBondContact O-N 3.35Å; T288-A306 HydrophobicContact CG2-CB 3.84Å; T288-V307 WeakPolarHBondContact CA-O 3.47Å |
| 289 | L | 95.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.8 | 174.2 | -174 | 75.7 | 0 | 0 | 0 | 109.2 | I126 V127 L130 L263 V276 S277 L278 I291 V307 L309 | I126-L289 HydrophobicContact CG2-CD2 4.04Å; V127-L289 HydrophobicContact CG2-CD2 4.33Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 4.14Å; L263-L289 HydrophobicContact CD1-CD1 4.46Å; L263-L289 HydrophobicContact CD2-CD1 4.31Å; V276-L289 HydrophobicContact CG1-CD1 3.33Å; V276-L289 HydrophobicContact CG1-CD2 4.37Å; V276-L289 HydrophobicContact CG1-CG 3.89Å; S277-L289 CarbonylContact O-C 3.59Å; L278-L289 HydrophobicContact CD1-CB 4.22Å; L278-L289 HydrophobicContact CD1-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CG1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.2Å; L289-V307 HydrophobicContact CB-CB 4.26Å; L289-V307 PolarHBondContact N-O 3.48Å; L289-V307 PolarHBondContact O-N 2.93Å; L289-L309 HydrophobicContact CB-CD1 3.96Å; L289-L309 HydrophobicContact CB-CG 4.37Å; L289-L309 HydrophobicContact CD2-CD1 4.48Å |
| 290 | H | 94.8 | Very high | 79.1 | Confident | 59 Ų | 59 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.1 | 174.2 | -59.7 | -85.2 | 0 | 0 | 0 | 109.6 | V276 S277 T279 M305 | V276-H290 VanDerWaalsContact CA-O 3.31Å; V276-H290 WeakPolarHBondContact CA-O 3.48Å; S277-H290 PolarHBondContact N-O 3.27Å; S277-H290 PolarHBondContact O-N 3.22Å; T279-H290 PolarHBondContact OG1-CD2 3.08Å; T279-H290 PolarHBondContact OG1-NE2 3.17Å; H290-M305 WeakPolarHBondContact CA-O 3.38Å |
| 291 | I | 92.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118 | -179.1 | -57.8 | 169.9 | 0 | 0 | 0 | 107.7 | V123 I126 C274 L289 M305 V307 | V123-I291 HydrophobicContact CG2-CD1 4.35Å; I126-I291 HydrophobicContact CB-CD1 4.14Å; I126-I291 HydrophobicContact CD1-CB 4.43Å; I126-I291 HydrophobicContact CD1-CD1 3.89Å; I126-I291 HydrophobicContact CD1-CG1 4.19Å; I126-I291 HydrophobicContact CD1-CG2 3.4Å; I126-I291 HydrophobicContact CG2-CD1 4.01Å; I126-I291 HydrophobicContact CG2-CG1 4.39Å; C274-I291 HydrophobicContact CB-CG2 4.26Å; L289-I291 HydrophobicContact CD2-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CG1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.2Å; I291-M305 HydrophobicContact CB-CB 4.43Å; I291-M305 HydrophobicContact CB-CE 4.49Å; I291-M305 HydrophobicContact CG2-CE 4.07Å; I291-M305 PolarHBondContact N-O 3.18Å; I291-M305 PolarHBondContact O-N 3.34Å; I291-V307 HydrophobicContact CD1-CG2 3.71Å |
| 292 | L | 90 | Very high | 78 | Confident | 73 Ų | 73 | 69 Ų | 69 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 105.3 | 172.8 | 179.6 | 66.2 | 0 | 0 | 0 | 108.9 | C274 R275 C294 | C274-L292 CarbonylContact C-O 3.45Å; C274-L292 WeakPolarHBondContact CA-O 2.88Å; R275-L292 HydrophobicContact CB-CB 4.32Å; R275-L292 PolarHBondContact N-O 2.99Å; R275-L292 PolarHBondContact O-N 2.76Å; L292-C294 PolarHBondContact O-N 3.37Å |
| 293 | P | 85 | Confident | 78.3 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.5 | 178.8 | -19.4 | 33.5 | 0 | 0 | 0 | 111.2 | T296 C301 L303 M305 | P293-T296 HydrophobicContact CB-CG2 3.84Å; P293-C301 WeakPolarHBondContact CB-O 3.2Å; P293-C301 WeakPolarHBondContact CG-O 3.2Å; P293-L303 WeakPolarHBondContact CD-O 3.34Å; P293-M305 HydrophobicContact CG-CE 3.69Å |
| 294 | C | 74.6 | Confident | 79.2 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 49% | 0.493 | 35% | 0.349 | S | S | . | . | trans | -99.3 | -37.6 | -172.4 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | R273 R275 L292 | R273-C294 PolarHBondContact O-N 3.04Å; R273-C294 VanDerWaalsContact O-N 3.09Å; R275-C294 PolarHBondContact N-SG 3.42Å; L292-C294 PolarHBondContact O-N 3.37Å | ||
| 295 | R | 64.6 | Low | 80.2 | Confident | 215 Ų | 215 | 65.3 Ų | 65.3 | 81% | 0.811 | 34% | 0.337 | S | S | * | . | trans | -135.3 | 101.2 | -176.6 | -66.2 | -170.1 | -177.8 | -138.1 | 2.6 | 109 | ||||
| 296 | T | 62.6 | Low | 80.7 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -132.9 | 129.2 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | P293 Y298 C301 | P293-T296 HydrophobicContact CB-CG2 3.84Å; T296-Y298 PolarHBondContact O-N 3.03Å; T296-Y298 VanDerWaalsContact O-N 3.1Å; T296-Y298 PolarHBondContact OG1-O 2.79Å; T296-C301 VanDerWaalsContact CB-CB 3.44Å; T296-C301 HydrophobicContact CG2-CB 3.53Å; T296-C301 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 297 | D | 57.5 | Low | 81 | Confident | 164 Ų | 164 | 60.5 Ų | 60.5 | 88% | 0.877 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -66.8 | -8.5 | 179 | -53.9 | -43 | 0 | 0 | 0 | 112 | ||
| 298 | Y | 62 | Low | 81.1 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -118.2 | 124.8 | -178.9 | -60.2 | -84 | 0 | 0 | 0 | 111.2 | T296 C300 C301 | T296-Y298 PolarHBondContact O-N 3.03Å; T296-Y298 VanDerWaalsContact O-N 3.1Å; T296-Y298 PolarHBondContact OG1-O 2.79Å; Y298-C300 VanDerWaalsContact CB-SG 3.56Å; Y298-C300 PolarHBondContact O-N 2.81Å; Y298-C300 VanDerWaalsContact O-N 3.09Å; Y298-C301 WeakPolarHBondContact O-CB 3.35Å; Y298-C301 PolarHBondContact O-N 2.95Å |
| 299 | G | 66.4 | Low | 81.2 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 67% | 0.67 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -58.4 | -23.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | C301 | G299-C301 PolarHBondContact O-N 3.45Š|
| 300 | C | 68.5 | Low | 81.1 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -66.4 | -17.8 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | V115 H118 Y298 | V115-C300 HydrophobicContact CB-CB 4.44Å; V115-C300 HydrophobicContact CG1-CB 4.26Å; V115-C300 HydrophobicContact CG2-CB 3.82Å; H118-C300 PolarHBondContact ND1-SG 3.27Å; H118-C300 VanDerWaalsContact ND1-SG 3.44Å; Y298-C300 VanDerWaalsContact CB-SG 3.56Å; Y298-C300 PolarHBondContact O-N 2.81Å; Y298-C300 VanDerWaalsContact O-N 3.09Å |
| 301 | C | 65.8 | Low | 81.2 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -98.8 | 12.6 | -173.4 | -59 | 0 | 0 | 0 | 0 | 113.4 | H118 P293 T296 Y298 G299 L303 | H118-C301 PolarHBondContact ND1-SG 3.22Å; P293-C301 WeakPolarHBondContact CB-O 3.2Å; P293-C301 WeakPolarHBondContact CG-O 3.2Å; T296-C301 VanDerWaalsContact CB-CB 3.44Å; T296-C301 HydrophobicContact CG2-CB 3.53Å; T296-C301 WeakPolarHBondContact OG1-CB 3.49Å; Y298-C301 WeakPolarHBondContact O-CB 3.35Å; Y298-C301 PolarHBondContact O-N 2.95Å; G299-C301 PolarHBondContact O-N 3.45Å; C301-L303 VanDerWaalsContact C-N 3.28Å |
| 302 | R | 75.8 | Confident | 81.3 | Confident | 188 Ų | 188 | 61.5 Ų | 61.5 | 71% | 0.709 | 32% | 0.316 | S | S | * | . | trans | -89 | 7.8 | 174.8 | -64.1 | -173.7 | -178.4 | 179.4 | 0.4 | 113.7 | ||||
| 303 | L | 83.9 | Confident | 81.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | trans | -78.2 | 127.6 | -177.3 | -63.6 | 170.1 | 0 | 0 | 0 | 110 | V115 P171 P293 C301 | V115-L303 HydrophobicContact CG1-CD1 3.6Å; P171-L303 HydrophobicContact CG-CD1 3.82Å; P293-L303 WeakPolarHBondContact CD-O 3.34Å; C301-L303 VanDerWaalsContact C-N 3.28Å | ||
| 304 | S | 89.4 | Confident | 81.9 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | trans | -66.7 | 132.4 | 168.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 305 | M | 92.6 | Very high | 82.5 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.7 | -179.1 | -64.1 | 169.6 | -79.6 | 0 | 0 | 109.6 | H122 V123 F174 H290 I291 P293 | H122-M305 HydrophobicContact CB-CE 4.36Å; V123-M305 HydrophobicContact CG2-SD 3.97Å; F174-M305 HydrophobicContact CD2-CB 4.29Å; F174-M305 HydrophobicContact CE2-CB 4.1Å; F174-M305 HydrophobicContact CE2-CG 3.86Å; F174-M305 HydrophobicContact CE2-SD 3.98Å; H290-M305 WeakPolarHBondContact CA-O 3.38Å; I291-M305 HydrophobicContact CB-CB 4.43Å; I291-M305 HydrophobicContact CB-CE 4.49Å; I291-M305 HydrophobicContact CG2-CE 4.07Å; I291-M305 PolarHBondContact N-O 3.18Å; I291-M305 PolarHBondContact O-N 3.34Å; P293-M305 HydrophobicContact CG-CE 3.69Å |
| 306 | A | 94.8 | Very high | 83.5 | Confident | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109 | D172 S173 F174 T288 | D172-A306 PolarHBondContact O-N 2.56Å; S173-A306 CarbonylContact C-O 3.59Å; S173-A306 VanDerWaalsContact CA-O 3.26Å; S173-A306 WeakPolarHBondContact CA-O 3.29Å; F174-A306 PolarHBondContact N-O 2.98Å; T288-A306 HydrophobicContact CG2-CB 3.84Å |
| 307 | V | 96.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 111.2 | -178.4 | -170.4 | 0 | 0 | 0 | 0 | 109 | V123 V127 F174 V176 T288 L289 I291 L309 | V123-V307 HydrophobicContact CB-CG2 4.41Å; V123-V307 HydrophobicContact CG1-CG1 3.96Å; V123-V307 HydrophobicContact CG1-CG2 3.77Å; V123-V307 HydrophobicContact CG2-CG2 3.79Å; V127-V307 HydrophobicContact CG2-CG1 4.04Å; F174-V307 HydrophobicContact CB-CG1 4.21Å; F174-V307 HydrophobicContact CB-CG2 4.25Å; F174-V307 CarbonylContact O-C 3.56Å; F174-V307 VanDerWaalsContact O-CA 3.32Å; F174-V307 WeakPolarHBondContact O-CA 3.31Å; V176-V307 HydrophobicContact CB-CG1 4.35Å; V176-V307 HydrophobicContact CG2-CG1 3.79Å; T288-V307 WeakPolarHBondContact CA-O 3.47Å; L289-V307 HydrophobicContact CB-CB 4.26Å; L289-V307 PolarHBondContact N-O 3.48Å; L289-V307 PolarHBondContact O-N 2.93Å; I291-V307 HydrophobicContact CD1-CG2 3.71Å; V307-L309 HydrophobicContact CG1-CD2 4.19Å; V307-L309 PolarHBondContact O-N 3.41Å |
| 308 | R | 95.4 | Very high | 85.9 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.7 | 174.7 | -164.1 | 170.2 | 82 | -121 | -4.1 | 108.9 | F174 D175 V176 P286 I310 | F174-R308 PolarHBondContact O-N 3Å; D175-R308 WeakPolarHBondContact OD1-CB 3.19Å; D175-R308 IonicContact OD1-CZ 3.22Å; D175-R308 IonicContact OD1-NE 3.04Å; D175-R308 IonicContact OD1-NH1 3.35Å; D175-R308 PolarHBondContact OD1-NH1 3.33Å; D175-R308 IonicContact OD1-NH2 3.87Å; D175-R308 PolarHBondContact OD1-NH2 3.03Å; D175-R308 IonicContact OD2-CZ 2.84Å; D175-R308 IonicContact OD2-NH1 3.77Å; D175-R308 PolarHBondContact OD2-NH1 2.95Å; D175-R308 IonicContact OD2-NH2 3.27Å; D175-R308 PolarHBondContact OD2-NH2 3.01Å; V176-R308 PolarHBondContact N-O 3.15Å; P286-R308 HydrophobicContact CB-CG 3.92Å; P286-R308 VanDerWaalsContact CG-CD 3.46Å; P286-R308 HydrophobicContact CG-CG 3.42Å; P286-R308 VanDerWaalsContact CG-CG 3.42Å; R308-I310 HydrophobicContact CG-CG1 4.13Å |
| 309 | L | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.2 | -179.7 | -63.2 | 172.3 | 0 | 0 | 0 | 109.1 | V127 L130 V176 V178 F255 L259 L278 P286 P287 L289 V307 | V127-L309 HydrophobicContact CG1-CD2 3.96Å; V127-L309 HydrophobicContact CG2-CD2 4.14Å; L130-L309 HydrophobicContact CD2-CD1 3.82Å; V176-L309 HydrophobicContact CB-CD2 4.35Å; V178-L309 HydrophobicContact CG2-CD2 4.26Å; F255-L309 HydrophobicContact CE1-CB 4.17Å; F255-L309 WeakPolarHBondContact CE1-O 3.43Å; F255-L309 HydrophobicContact CZ-CB 4.25Å; L259-L309 HydrophobicContact CD1-CB 4.06Å; L259-L309 HydrophobicContact CD1-CD1 3.72Å; L259-L309 HydrophobicContact CD2-CD1 4.09Å; L278-L309 HydrophobicContact CD1-CD1 4.45Å; P286-L309 VanDerWaalsContact CB-O 3.22Å; P286-L309 WeakPolarHBondContact CB-O 3.48Å; P287-L309 WeakPolarHBondContact CD-O 3.5Å; P287-L309 PolarHBondContact O-N 3.04Å; L289-L309 HydrophobicContact CB-CD1 3.96Å; L289-L309 HydrophobicContact CB-CG 4.37Å; L289-L309 HydrophobicContact CD2-CD1 4.48Å; V307-L309 HydrophobicContact CG1-CD2 4.19Å; V307-L309 PolarHBondContact O-N 3.41Å |
| 310 | I | 95.6 | Very high | 88.6 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.7 | -170.1 | -54 | 169 | 0 | 0 | 0 | 108.9 | D175 V176 L177 V178 P286 R308 A312 V322 | D175-I310 HydrophobicContact CB-CD1 4.38Å; V176-I310 PolarHBondContact O-N 3.2Å; L177-I310 CarbonylContact C-O 3.54Å; L177-I310 WeakPolarHBondContact CA-O 3.11Å; L177-I310 HydrophobicContact CD2-CB 3.84Å; L177-I310 HydrophobicContact CD2-CD1 4.11Å; L177-I310 HydrophobicContact CD2-CG2 3.87Å; V178-I310 PolarHBondContact N-O 3.16Å; P286-I310 HydrophobicContact CB-CG1 4.07Å; P286-I310 HydrophobicContact CG-CG1 4.16Å; R308-I310 HydrophobicContact CG-CG1 4.13Å; I310-A312 PolarHBondContact O-N 3.26Å; I310-V322 HydrophobicContact CG2-CB 3.93Å; I310-V322 HydrophobicContact CG2-CG1 3.66Å |
| 311 | P | 95.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.4 | 173.8 | 25.5 | -30.6 | 0 | 0 | 0 | 110 | L180 L252 F255 | L180-P311 HydrophobicContact CD1-CB 4.07Å; L252-P311 HydrophobicContact CD1-CG 3.85Å; F255-P311 HydrophobicContact CB-CB 4.15Å; F255-P311 HydrophobicContact CB-CG 4.34Å; F255-P311 HydrophobicContact CD1-CB 3.99Å; F255-P311 HydrophobicContact CD1-CG 3.9Å; F255-P311 HydrophobicContact CD2-CB 3.78Å; F255-P311 HydrophobicContact CE1-CB 4.28Å; F255-P311 HydrophobicContact CE1-CG 4.3Å; F255-P311 HydrophobicContact CE2-CB 4.12Å; F255-P311 HydrophobicContact CG-CB 3.72Å; F255-P311 HydrophobicContact CG-CG 4.04Å; F255-P311 HydrophobicContact CZ-CB 4.36Å |
| 312 | A | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 118.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L177 V178 P179 L180 I310 F320 L321 V322 | L177-A312 HydrophobicContact CB-CB 4.04Å; V178-A312 PolarHBondContact O-N 3.28Å; P179-A312 CarbonylContact C-O 3.51Å; P179-A312 WeakPolarHBondContact CA-O 3.39Å; L180-A312 PolarHBondContact N-O 3.13Å; I310-A312 PolarHBondContact O-N 3.26Å; A312-F320 HydrophobicContact CB-CB 3.96Å; A312-F320 HydrophobicContact CB-CD1 3.89Å; A312-F320 HydrophobicContact CB-CG 4.1Å; A312-L321 WeakPolarHBondContact CA-O 3.35Å; A312-V322 HydrophobicContact CB-CG1 4.43Å |
| 313 | V | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | L180 L182 L188 L246 F320 L321 W347 | L180-V313 HydrophobicContact CD1-CG2 4.31Å; L182-V313 HydrophobicContact CD1-CG1 4.09Å; L182-V313 HydrophobicContact CD2-CG1 4.26Å; L182-V313 HydrophobicContact CG-CG1 4.41Å; L188-V313 HydrophobicContact CD1-CG1 3.52Å; L246-V313 HydrophobicContact CD2-CG2 4.2Å; V313-F320 CarbonylContact O-C 3.47Å; V313-F320 VanDerWaalsContact O-CA 3.31Å; V313-F320 WeakPolarHBondContact O-CA 3.33Å; V313-L321 HydrophobicContact CB-CB 4.29Å; V313-L321 PolarHBondContact N-O 3.33Å; V313-L321 PolarHBondContact O-N 3.44Å; V313-W347 HydrophobicContact CG2-CH2 3.74Å; V313-W347 HydrophobicContact CG2-CZ3 3.96Å |
| 314 | H | 91.9 | Very high | 92 | Very high | 79 Ų | 79 | 23.5 Ų | 23.5 | 37% | 0.366 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.6 | -175.1 | -177.4 | -121.3 | 0 | 0 | 0 | 111.6 | G316 F320 | H314-G316 PolarHBondContact NE2-N 2.88Å; H314-F320 HydrophobicContact CB-CD1 4.06Å; H314-F320 HydrophobicContact CB-CE1 3.88Å; H314-F320 AromaticContact CD2-CE1 3.52Å; H314-F320 AromaticContact CD2-CZ 3.79Å |
| 315 | L | 87.4 | Confident | 91.4 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 18% | 0.183 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -18 | 175.8 | -77.7 | -173.7 | 0 | 0 | 0 | 114.5 | P190 V319 L321 L472 | P190-L315 HydrophobicContact CB-CD1 4.03Å; P190-L315 HydrophobicContact CB-CD2 4.01Å; P190-L315 HydrophobicContact CG-CD1 4.12Å; P190-L315 HydrophobicContact CG-CD2 3.73Å; L315-V319 HydrophobicContact CB-CG1 4.45Å; L315-V319 HydrophobicContact CD1-CG1 4.45Å; L315-V319 PolarHBondContact N-O 2.91Å; L315-L321 HydrophobicContact CD1-CD1 3.68Å; L315-L321 HydrophobicContact CD1-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CG 3.47Å; L315-L321 VanDerWaalsContact CD1-CG 3.47Å; L315-L321 HydrophobicContact CD2-CD1 3.51Å; L315-L321 HydrophobicContact CD2-CG 4.17Å; L315-L321 HydrophobicContact CG-CD1 3.59Å; L315-L321 HydrophobicContact CG-CD2 4.43Å; L315-L321 HydrophobicContact CG-CG 3.65Å; L315-L472 HydrophobicContact CD1-CD1 4.21Å |
| 316 | G | 85.9 | Confident | 90.4 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.3 | 159 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | H314 G318 V319 | H314-G316 PolarHBondContact NE2-N 2.88Å; G316-G318 PolarHBondContact O-N 2.89Å; G316-V319 WeakPolarHBondContact O-CB 3.37Å; G316-V319 PolarHBondContact O-N 3.07Å |
| 317 | D | 85.3 | Confident | 89 | Confident | 81 Ų | 81 | 27.6 Ų | 27.6 | 43% | 0.433 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 24.4 | 174.8 | -51.4 | -44.3 | 0 | 0 | 0 | 115.8 | V319 Q354 P467 | D317-V319 VanDerWaalsContact C-N 3.34Å; D317-Q354 PolarHBondContact O-NE2 3.39Å; D317-P467 VanDerWaalsContact CB-O 3.28Å; D317-P467 WeakPolarHBondContact CB-O 3.26Å |
| 318 | G | 85.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 12.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G316 F320 Q354 | G316-G318 PolarHBondContact O-N 2.89Å; G318-F320 WeakPolarHBondContact O-CD2 3.48Å; G318-F320 WeakPolarHBondContact O-CE2 3.49Å; G318-Q354 PolarHBondContact O-NE2 2.83Å; G318-Q354 PolarHBondContact O-OE1 3.43Å |
| 319 | V | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.6 | 172.3 | 177.8 | 0 | 0 | 0 | 0 | 110 | L315 G316 D317 V349 Q354 L468 P469 L472 | L315-V319 HydrophobicContact CB-CG1 4.45Å; L315-V319 HydrophobicContact CD1-CG1 4.45Å; L315-V319 PolarHBondContact N-O 2.91Å; G316-V319 WeakPolarHBondContact O-CB 3.37Å; G316-V319 PolarHBondContact O-N 3.07Å; D317-V319 VanDerWaalsContact C-N 3.34Å; V319-V349 HydrophobicContact CG1-CG1 3.78Å; V319-Q354 VanDerWaalsContact CG2-NE2 3.28Å; V319-L468 HydrophobicContact CG2-CD2 4.24Å; V319-P469 HydrophobicContact CB-CG 4.16Å; V319-P469 HydrophobicContact CG2-CG 4.08Å; V319-L472 HydrophobicContact CB-CD2 4.31Å; V319-L472 HydrophobicContact CG1-CD1 4.4Å; V319-L472 HydrophobicContact CG1-CD2 3.52Å; V319-L472 HydrophobicContact CG2-CD2 3.9Å |
| 320 | F | 94.1 | Very high | 83 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.9 | 179.2 | -58.9 | -87.9 | 0 | 0 | 0 | 111.9 | I157 L177 P179 A312 V313 H314 G318 N350 | I157-F320 HydrophobicContact CD1-CD2 4.22Å; I157-F320 HydrophobicContact CD1-CE1 4Å; I157-F320 HydrophobicContact CD1-CE2 3.33Å; I157-F320 HydrophobicContact CD1-CZ 3.2Å; L177-F320 HydrophobicContact CD1-CD2 4.05Å; L177-F320 HydrophobicContact CD1-CG 4.42Å; P179-F320 HydrophobicContact CB-CE1 4.24Å; P179-F320 HydrophobicContact CG-CE1 4.14Å; A312-F320 HydrophobicContact CB-CB 3.96Å; A312-F320 HydrophobicContact CB-CD1 3.89Å; A312-F320 HydrophobicContact CB-CG 4.1Å; V313-F320 CarbonylContact O-C 3.47Å; V313-F320 VanDerWaalsContact O-CA 3.31Å; V313-F320 WeakPolarHBondContact O-CA 3.33Å; H314-F320 HydrophobicContact CB-CD1 4.06Å; H314-F320 HydrophobicContact CB-CE1 3.88Å; H314-F320 AromaticContact CD2-CE1 3.52Å; H314-F320 AromaticContact CD2-CZ 3.79Å; G318-F320 WeakPolarHBondContact O-CD2 3.48Å; G318-F320 WeakPolarHBondContact O-CE2 3.49Å; F320-N350 HydrophobicContact CB-CB 4.46Å; F320-N350 PolarHBondContact N-O 3.34Å; F320-N350 VanDerWaalsContact N-O 3.15Å; F320-N350 PolarHBondContact O-N 3.39Å |
| 321 | L | 94.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.9 | 166.4 | -65.2 | 162.9 | 0 | 0 | 0 | 109.6 | F207 C209 A312 V313 L315 W347 G348 V349 | F207-L321 HydrophobicContact CB-CD2 4.27Å; C209-L321 WeakPolarHBondContact SG-CD1 3.33Å; A312-L321 WeakPolarHBondContact CA-O 3.35Å; V313-L321 HydrophobicContact CB-CB 4.29Å; V313-L321 PolarHBondContact N-O 3.33Å; V313-L321 PolarHBondContact O-N 3.44Å; L315-L321 HydrophobicContact CD1-CD1 3.68Å; L315-L321 HydrophobicContact CD1-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CG 3.47Å; L315-L321 VanDerWaalsContact CD1-CG 3.47Å; L315-L321 HydrophobicContact CD2-CD1 3.51Å; L315-L321 HydrophobicContact CD2-CG 4.17Å; L315-L321 HydrophobicContact CG-CD1 3.59Å; L315-L321 HydrophobicContact CG-CD2 4.43Å; L315-L321 HydrophobicContact CG-CG 3.65Å; L321-W347 HydrophobicContact CB-CB 4.27Å; L321-W347 HydrophobicContact CB-CD2 4.07Å; L321-W347 HydrophobicContact CB-CE3 3.55Å; L321-W347 HydrophobicContact CB-CG 4.39Å; L321-W347 HydrophobicContact CB-CZ3 4.21Å; L321-W347 HydrophobicContact CD2-CB 3.86Å; L321-G348 WeakPolarHBondContact CA-O 3.25Å; L321-V349 HydrophobicContact CD2-CG2 3.91Å |
| 322 | V | 94.3 | Very high | 77.8 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 159.1 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | L177 I310 A312 G348 N350 | L177-V322 HydrophobicContact CD2-CG1 4.14Å; I310-V322 HydrophobicContact CG2-CB 3.93Å; I310-V322 HydrophobicContact CG2-CG1 3.66Å; A312-V322 HydrophobicContact CB-CG1 4.43Å; V322-G348 PolarHBondContact N-O 3.12Å; V322-G348 PolarHBondContact O-N 3.13Å; V322-N350 HydrophobicContact CG1-CB 3.88Å; V322-N350 HydrophobicContact CG2-CB 4.07Å |
| 323 | A | 91.1 | Very high | 75.1 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -57 | 130.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A248 L252 | A248-A323 HydrophobicContact CB-CB 4.22Å; L252-A323 HydrophobicContact CD2-CB 4.41Å |
| 324 | P | 85.3 | Confident | 72.9 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 149.5 | -179.3 | 28 | -33.2 | 0 | 0 | 0 | 110 | L346 | P324-L346 WeakPolarHBondContact CD-O 3.24Å; P324-L346 HydrophobicContact CG-CB 4.04Å |
| 325 | P | 76.4 | Confident | 71.1 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 71% | 0.714 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 146.6 | 172.8 | 28.4 | -33.3 | 0 | 0 | 0 | 109.8 | ||
| 326 | P | 71.1 | Confident | 69.5 | Low | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 144 | 178.2 | 26 | -34.2 | 0 | 0 | 0 | 110.2 | ||
| 327 | P | 65.8 | Low | 68.7 | Low | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 154.4 | -177.7 | 23.2 | -32 | 0 | 0 | 0 | 112.3 | S329 L334 R400 | P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 3.09Å; P327-L334 HydrophobicContact CG-CD2 4.44Å; P327-R400 PolarHBondContact O-NH1 3.27Å |
| 328 | P | 58.3 | Low | 67.6 | Low | 46 Ų | 46 | 54.4 Ų | 54.4 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -66 | -27.5 | -176.2 | 22.7 | -30.6 | 0 | 0 | 0 | 114.1 | P483 F484 | P328-P483 HydrophobicContact CG-CB 4.38Å; P328-P483 WeakPolarHBondContact CG-O 3.25Å; P328-F484 HydrophobicContact CB-CD1 4Å; P328-F484 HydrophobicContact CB-CE1 3.97Å; P328-F484 HydrophobicContact CG-CD1 4.25Å; P328-F484 HydrophobicContact CG-CE1 4.4Å |
| 329 | S | 54.9 | Low | 66.5 | Low | 67 Ų | 67 | 56.2 Ų | 56.2 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -115.2 | 132.1 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | P327 S331 | P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 3.09Å; S329-S331 PolarHBondContact O-N 2.82Å |
| 330 | P | 48.4 | Very low | 65.5 | Low | 127 Ų | 127 | 58.3 Ų | 58.3 | 83% | 0.825 | 41% | 0.406 | S | S | * | . | trans | -81.6 | 58.4 | 167.9 | 35.7 | -33 | 0 | 0 | 0 | 109.2 | G332 | P330-G332 PolarHBondContact O-N 2.97Å; P330-G332 VanDerWaalsContact O-N 3.15Å | ||
| 331 | S | 41.9 | Very low | 64.6 | Low | 93 Ų | 93 | 59 Ų | 59 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | trans | -73.4 | 107.9 | 167.8 | -68.7 | 0 | 0 | 0 | 0 | 107 | S329 A333 | S329-S331 PolarHBondContact O-N 2.82Å; S331-A333 PolarHBondContact O-N 3.46Å | ||
| 332 | G | 39.8 | Very low | 63.9 | Low | 83 Ų | 83 | 64.3 Ų | 64.3 | 86% | 0.856 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -58.7 | 104.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P330 | P330-G332 PolarHBondContact O-N 2.97Å; P330-G332 VanDerWaalsContact O-N 3.15Å |
| 333 | A | 39.3 | Very low | 63.3 | Low | 74 Ų | 74 | 64 Ų | 64 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | trans | -169.4 | 36.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S331 S335 | S331-A333 PolarHBondContact O-N 3.46Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.47Å; A333-S335 VanDerWaalsContact O-N 3.09Å | ||
| 334 | L | 48.1 | Very low | 63.1 | Low | 87 Ų | 87 | 66.3 Ų | 66.3 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 25.2 | -167.2 | -75.1 | 176.1 | 0 | 0 | 0 | 116.5 | P327 | P327-L334 HydrophobicContact CG-CD2 4.44Š|
| 335 | S | 54.6 | Low | 63.2 | Low | 98 Ų | 98 | 65.5 Ų | 65.5 | 69% | 0.685 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -36 | 172.4 | -85.4 | 0 | 0 | 0 | 0 | 113.8 | A333 | A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.47Å; A333-S335 VanDerWaalsContact O-N 3.09Å |
| 336 | E | 54.4 | Low | 63.9 | Low | 143 Ų | 143 | 60.4 Ų | 60.4 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | trans | -134.1 | 108 | -177 | -67.1 | -171.3 | 162.8 | 0 | 0 | 110.3 | ||||
| 337 | L | 67.4 | Low | 65 | Low | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 155.4 | 168.8 | -69.8 | 161.1 | 0 | 0 | 0 | 109 | F203 G339 G340 L341 A343 L346 | F203-L337 HydrophobicContact CD2-CD2 3.75Å; F203-L337 HydrophobicContact CE2-CD2 3.4Å; F203-L337 VanDerWaalsContact CE2-CD2 3.4Å; F203-L337 HydrophobicContact CG-CD2 4.45Å; F203-L337 HydrophobicContact CZ-CD2 3.82Å; L337-G339 PolarHBondContact O-N 3.22Å; L337-G340 PolarHBondContact O-N 3.38Å; L337-L341 HydrophobicContact CB-CB 3.81Å; L337-L341 WeakPolarHBondContact CB-O 3.22Å; L337-L341 PolarHBondContact N-O 3.3Å; L337-L341 PolarHBondContact O-N 3.21Å; L337-A343 HydrophobicContact CD1-CB 4.3Å; L337-L346 HydrophobicContact CD1-CD1 3.58Å; L337-L346 HydrophobicContact CD1-CD2 4.33Å; L337-L346 HydrophobicContact CD1-CG 4.14Å |
| 338 | P | 63.3 | Low | 66.2 | Low | 57 Ų | 57 | 57.5 Ų | 57.5 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 139.1 | 178.5 | 3.3 | -13 | 0 | 0 | 0 | 112.2 | T198 | T198-P338 WeakPolarHBondContact O-CG 3.43Š|
| 339 | G | 62.3 | Low | 67.8 | Low | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 17.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q241 L337 L341 | Q241-G339 PolarHBondContact NE2-O 3.39Å; L337-G339 PolarHBondContact O-N 3.22Å; G339-L341 PolarHBondContact O-N 3.47Å |
| 340 | G | 69.6 | Low | 69.6 | Low | 43 Ų | 43 | 54.8 Ų | 54.8 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 17.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L337 | L337-G340 PolarHBondContact O-N 3.38Š|
| 341 | L | 75.1 | Confident | 71.6 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 137.6 | 173.2 | -71.5 | 176.4 | 0 | 0 | 0 | 109.1 | L193 L199 V208 V240 L337 G339 | L193-L341 HydrophobicContact CD1-CD1 4.24Å; L193-L341 HydrophobicContact CD2-CD1 3.83Å; L193-L341 HydrophobicContact CD2-CD2 4.44Å; L199-L341 HydrophobicContact CD1-CD1 4.27Å; V208-L341 HydrophobicContact CG1-CD2 4.35Å; V240-L341 HydrophobicContact CG1-CD2 3.67Å; L337-L341 HydrophobicContact CB-CB 3.81Å; L337-L341 WeakPolarHBondContact CB-O 3.22Å; L337-L341 PolarHBondContact N-O 3.3Å; L337-L341 PolarHBondContact O-N 3.21Å; G339-L341 PolarHBondContact O-N 3.47Å |
| 342 | R | 80.5 | Confident | 73.8 | Confident | 111 Ų | 111 | 44.8 Ų | 44.8 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | trans | -100.3 | 134.2 | 174.5 | -67.5 | -174.4 | 172.8 | -168.7 | -0.8 | 109.7 | V240 E344 A345 | V240-R342 HydrophobicContact CG2-CB 4.5Å; R342-E344 PolarHBondContact O-N 3.09Å; R342-A345 WeakPolarHBondContact O-CB 3.48Å; R342-A345 PolarHBondContact O-N 3.35Å | ||
| 343 | A | 81.6 | Confident | 76.2 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -55.2 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L337 A345 L346 | L337-A343 HydrophobicContact CD1-CB 4.3Å; A343-A345 PolarHBondContact O-N 3.05Å; A343-L346 VanDerWaalsContact O-CB 3.29Å; A343-L346 WeakPolarHBondContact O-CB 3.25Å; A343-L346 WeakPolarHBondContact O-CG 3.39Å; A343-L346 PolarHBondContact O-N 3.29Å; A343-L346 VanDerWaalsContact O-N 3.08Å |
| 344 | E | 86.1 | Confident | 78.6 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -64.1 | -19 | 177.6 | -55.5 | -173.6 | 159.7 | 0 | 0 | 114.6 | S247 A248 T249 R253 R342 | S247-E344 CarbonylContact C-O 3.55Å; S247-E344 WeakPolarHBondContact CA-O 3.34Å; S247-E344 WeakPolarHBondContact CB-O 3.19Å; S247-E344 PolarHBondContact OG-O 3.45Å; A248-E344 PolarHBondContact N-O 2.74Å; T249-E344 HydrophobicContact CG2-CG 4.5Å; T249-E344 WeakPolarHBondContact OG1-CA 3.39Å; R253-E344 IonicContact NH2-OE1 3.6Å; R342-E344 PolarHBondContact O-N 3.09Å |
| 345 | A | 89.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -87.8 | -6.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V238 V240 H245 R342 A343 W347 | V238-A345 HydrophobicContact CG2-CB 3.72Å; V240-A345 HydrophobicContact CG2-CB 4.13Å; H245-A345 HydrophobicContact CB-CB 4.35Å; R342-A345 WeakPolarHBondContact O-CB 3.48Å; R342-A345 PolarHBondContact O-N 3.35Å; A343-A345 PolarHBondContact O-N 3.05Å; A345-W347 VanDerWaalsContact O-CD1 3.29Å |
| 346 | L | 90.6 | Very high | 82.3 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.4 | -176.5 | -61.5 | -176.9 | 0 | 0 | 0 | 111.7 | L193 F203 C206 V208 A248 P324 L337 A343 | L193-L346 HydrophobicContact CD1-CD2 3.45Å; L193-L346 VanDerWaalsContact CD1-CD2 3.45Å; F203-L346 HydrophobicContact CD1-CD1 3.49Å; F203-L346 VanDerWaalsContact CD1-CD1 3.49Å; F203-L346 HydrophobicContact CE1-CD1 3.86Å; F203-L346 HydrophobicContact CG-CD1 4.3Å; C206-L346 HydrophobicContact CB-CB 4.4Å; C206-L346 HydrophobicContact CB-CD2 4.21Å; V208-L346 HydrophobicContact CG1-CD2 4.14Å; A248-L346 WeakPolarHBondContact CB-O 3.48Å; P324-L346 WeakPolarHBondContact CD-O 3.24Å; P324-L346 HydrophobicContact CG-CB 4.04Å; L337-L346 HydrophobicContact CD1-CD1 3.58Å; L337-L346 HydrophobicContact CD1-CD2 4.33Å; L337-L346 HydrophobicContact CD1-CG 4.14Å; A343-L346 VanDerWaalsContact O-CB 3.29Å; A343-L346 WeakPolarHBondContact O-CB 3.25Å; A343-L346 WeakPolarHBondContact O-CG 3.39Å; A343-L346 PolarHBondContact O-N 3.29Å; A343-L346 VanDerWaalsContact O-N 3.08Å |
| 347 | W | 93 | Very high | 84 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.2 | 174.3 | -69.9 | 83.8 | 0 | 0 | 0 | 110.5 | C206 F207 L246 A248 V251 V313 L321 A345 | C206-W347 CarbonylContact C-O 3.57Å; C206-W347 WeakPolarHBondContact CA-O 3.27Å; F207-W347 PolarHBondContact N-O 3.46Å; F207-W347 PolarHBondContact O-N 3.49Å; L246-W347 HydrophobicContact CB-CZ2 4.47Å; L246-W347 HydrophobicContact CD2-CH2 4.12Å; L246-W347 HydrophobicContact CD2-CZ2 3.47Å; L246-W347 VanDerWaalsContact CD2-CZ2 3.47Å; L246-W347 HydrophobicContact CG-CZ2 3.71Å; L246-W347 PolarHBondContact O-NE1 2.77Å; A248-W347 HydrophobicContact CB-CD2 3.9Å; A248-W347 HydrophobicContact CB-CE3 4.15Å; A248-W347 HydrophobicContact CB-CG 4.43Å; A248-W347 HydrophobicContact CB-CH2 4.19Å; A248-W347 HydrophobicContact CB-CZ2 3.88Å; A248-W347 HydrophobicContact CB-CZ3 4.32Å; V251-W347 HydrophobicContact CB-CH2 4Å; V251-W347 HydrophobicContact CB-CZ2 4.35Å; V251-W347 HydrophobicContact CG1-CH2 4.06Å; V251-W347 HydrophobicContact CG2-CH2 4.04Å; V251-W347 HydrophobicContact CG2-CZ2 4.03Å; V313-W347 HydrophobicContact CG2-CH2 3.74Å; V313-W347 HydrophobicContact CG2-CZ3 3.96Å; L321-W347 HydrophobicContact CB-CB 4.27Å; L321-W347 HydrophobicContact CB-CD2 4.07Å; L321-W347 HydrophobicContact CB-CE3 3.55Å; L321-W347 HydrophobicContact CB-CG 4.39Å; L321-W347 HydrophobicContact CB-CZ3 4.21Å; L321-W347 HydrophobicContact CD2-CB 3.86Å; A345-W347 VanDerWaalsContact O-CD1 3.29Å |
| 348 | G | 91.8 | Very high | 85 | Confident | 9 Ų | 9 | 34 Ų | 34 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 151.4 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | L321 V322 | L321-G348 WeakPolarHBondContact CA-O 3.25Å; V322-G348 PolarHBondContact N-O 3.12Å; V322-G348 PolarHBondContact O-N 3.13Å |
| 349 | V | 91.3 | Very high | 86.2 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 15% | 0.152 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 132.7 | 172.2 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | F207 V319 L321 T351 L456 L472 | F207-V349 HydrophobicContact CD1-CG2 4.33Å; F207-V349 HydrophobicContact CD2-CB 4.47Å; F207-V349 HydrophobicContact CD2-CG2 3.28Å; F207-V349 HydrophobicContact CE1-CG2 4.3Å; F207-V349 HydrophobicContact CE2-CB 4.27Å; F207-V349 HydrophobicContact CE2-CG2 3.27Å; F207-V349 HydrophobicContact CG-CG2 3.86Å; F207-V349 HydrophobicContact CZ-CG2 3.81Å; V319-V349 HydrophobicContact CG1-CG1 3.78Å; L321-V349 HydrophobicContact CD2-CG2 3.91Å; V349-T351 HydrophobicContact CG1-CG2 3.81Å; V349-L456 HydrophobicContact CB-CD1 4.37Å; V349-L456 HydrophobicContact CG1-CD1 4.27Å; V349-L472 HydrophobicContact CG1-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CG 4.47Å |
| 350 | N | 92.3 | Very high | 87.5 | Confident | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.2 | 171.3 | -169.7 | -70.1 | 0 | 0 | 0 | 109.9 | F320 V322 A352 | F320-N350 HydrophobicContact CB-CB 4.46Å; F320-N350 PolarHBondContact N-O 3.34Å; F320-N350 VanDerWaalsContact N-O 3.15Å; F320-N350 PolarHBondContact O-N 3.39Å; V322-N350 HydrophobicContact CG1-CB 3.88Å; V322-N350 HydrophobicContact CG2-CB 4.07Å; N350-A352 WeakPolarHBondContact OD1-CB 3.48Å; N350-A352 PolarHBondContact OD1-N 3.12Å |
| 351 | T | 91 | Very high | 88.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | trans | -108.8 | 24.8 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | V349 R353 Q354 E355 H453 V455 L456 | V349-T351 HydrophobicContact CG1-CG2 3.81Å; T351-R353 PolarHBondContact O-N 2.95Å; T351-R353 VanDerWaalsContact O-N 3.17Å; T351-Q354 VanDerWaalsContact C-OE1 3.27Å; T351-Q354 WeakPolarHBondContact O-CA 3.43Å; T351-Q354 VanDerWaalsContact O-CB 3.27Å; T351-Q354 WeakPolarHBondContact O-CB 3.39Å; T351-Q354 PolarHBondContact O-N 3.2Å; T351-Q354 PolarHBondContact O-OE1 2.95Å; T351-E355 WeakPolarHBondContact O-CG 3.32Å; T351-E355 PolarHBondContact O-N 3.35Å; T351-E355 PolarHBondContact OG1-OE1 3.44Å; T351-H453 PolarHBondContact OG1-CE1 3.47Å; T351-H453 PolarHBondContact OG1-NE2 3.39Å; T351-V455 HydrophobicContact CG2-CB 4.36Å; T351-V455 HydrophobicContact CG2-CG1 4.22Å; T351-L456 HydrophobicContact CG2-CD1 4.49Å; T351-L456 HydrophobicContact CG2-CG 4.41Å | ||
| 352 | A | 88.6 | Confident | 88.8 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -32.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V159 N350 E355 Q356 | V159-A352 HydrophobicContact CB-CB 3.96Å; V159-A352 HydrophobicContact CG1-CB 3.51Å; N350-A352 WeakPolarHBondContact OD1-CB 3.48Å; N350-A352 PolarHBondContact OD1-N 3.12Å; A352-E355 PolarHBondContact O-N 2.97Å; A352-Q356 WeakPolarHBondContact O-CB 3.46Å; A352-Q356 WeakPolarHBondContact O-CG 3.46Å; A352-Q356 PolarHBondContact O-N 2.72Å |
| 353 | R | 89.8 | Confident | 89.1 | Confident | 99 Ų | 99 | 31 Ų | 31 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 174 | -78.9 | -165.1 | 170.7 | -148.6 | -1.9 | 111.8 | I157 T351 E355 Q356 K357 | I157-R353 HydrophobicContact CG2-CG 4.24Å; T351-R353 PolarHBondContact O-N 2.95Å; T351-R353 VanDerWaalsContact O-N 3.17Å; R353-E355 VanDerWaalsContact C-N 3.35Å; R353-Q356 PolarHBondContact O-N 3.37Å; R353-K357 WeakPolarHBondContact O-CG 3.46Å; R353-K357 PolarHBondContact O-N 3.46Å |
| 354 | Q | 89.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 177.7 | -74.7 | 76.6 | 18.8 | 0 | 0 | 110.1 | D317 G318 V319 T351 Q356 K357 L358 V455 V465 L468 | D317-Q354 PolarHBondContact O-NE2 3.39Å; G318-Q354 PolarHBondContact O-NE2 2.83Å; G318-Q354 PolarHBondContact O-OE1 3.43Å; V319-Q354 VanDerWaalsContact CG2-NE2 3.28Å; T351-Q354 VanDerWaalsContact C-OE1 3.27Å; T351-Q354 WeakPolarHBondContact O-CA 3.43Å; T351-Q354 VanDerWaalsContact O-CB 3.27Å; T351-Q354 WeakPolarHBondContact O-CB 3.39Å; T351-Q354 PolarHBondContact O-N 3.2Å; T351-Q354 PolarHBondContact O-OE1 2.95Å; Q354-Q356 PolarHBondContact O-N 2.99Å; Q354-K357 WeakPolarHBondContact O-CB 3.43Å; Q354-K357 PolarHBondContact O-N 3.42Å; Q354-L358 PolarHBondContact O-N 3.07Å; Q354-V455 HydrophobicContact CB-CG1 4.33Å; Q354-V455 HydrophobicContact CB-CG2 3.9Å; Q354-V455 HydrophobicContact CG-CG1 4.49Å; Q354-V465 VanDerWaalsContact C-CG1 3.5Å; Q354-V465 HydrophobicContact CB-CG1 3.24Å; Q354-V465 HydrophobicContact CG-CG1 3.53Å; Q354-V465 WeakPolarHBondContact O-CG1 3.41Å; Q354-L468 HydrophobicContact CG-CD2 3.99Å |
| 355 | E | 89.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -35.3 | 176.8 | -65.4 | 172.5 | 176.4 | 0 | 0 | 113.4 | T351 A352 R353 K357 L358 L359 Y405 K408 H453 V455 | T351-E355 WeakPolarHBondContact O-CG 3.32Å; T351-E355 PolarHBondContact O-N 3.35Å; T351-E355 PolarHBondContact OG1-OE1 3.44Å; A352-E355 PolarHBondContact O-N 2.97Å; R353-E355 VanDerWaalsContact C-N 3.35Å; E355-K357 VanDerWaalsContact C-N 3.35Å; E355-L358 WeakPolarHBondContact O-CB 3.31Å; E355-L358 PolarHBondContact O-N 3.16Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 WeakPolarHBondContact O-CG 3.29Å; E355-L359 PolarHBondContact O-N 3.08Å; E355-Y405 WeakPolarHBondContact OE1-CE2 3.45Å; E355-Y405 VanDerWaalsContact OE1-CZ 3.23Å; E355-Y405 PolarHBondContact OE1-OH 3.35Å; E355-Y405 WeakPolarHBondContact OE2-CE2 3.3Å; E355-K408 WeakPolarHBondContact OE2-CE 3.3Å; E355-K408 IonicContact OE2-NZ 2.72Å; E355-K408 PolarHBondContact OE2-NZ 2.88Å; E355-H453 IonicContact OE1-CE1 3.59Å; E355-H453 PolarHBondContact OE1-CE1 3.03Å; E355-H453 IonicContact OE1-NE2 3Å; E355-V455 HydrophobicContact CG-CG2 4.29Å |
| 356 | Q | 90.8 | Very high | 89 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 173.5 | -78.7 | 171.8 | -4.1 | 0 | 0 | 111.6 | Q158 E164 A352 R353 Q354 L359 G360 | Q158-Q356 PolarHBondContact O-NE2 3.33Å; E164-Q356 HydrophobicContact CG-CG 3.98Å; A352-Q356 WeakPolarHBondContact O-CB 3.46Å; A352-Q356 WeakPolarHBondContact O-CG 3.46Å; A352-Q356 PolarHBondContact O-N 2.72Å; R353-Q356 PolarHBondContact O-N 3.37Å; Q354-Q356 PolarHBondContact O-N 2.99Å; Q356-L359 PolarHBondContact O-N 3.34Å; Q356-G360 PolarHBondContact O-N 3.05Å |
| 357 | K | 89.8 | Confident | 88.6 | Confident | 111 Ų | 111 | 44.9 Ų | 44.9 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 172.3 | -71.6 | 178.1 | 179.5 | -175.5 | 0 | 111.3 | R353 Q354 E355 L359 G360 W361 V465 | R353-K357 WeakPolarHBondContact O-CG 3.46Å; R353-K357 PolarHBondContact O-N 3.46Å; Q354-K357 WeakPolarHBondContact O-CB 3.43Å; Q354-K357 PolarHBondContact O-N 3.42Å; E355-K357 VanDerWaalsContact C-N 3.35Å; K357-L359 PolarHBondContact O-N 2.81Å; K357-G360 PolarHBondContact O-N 3.09Å; K357-W361 WeakPolarHBondContact O-CB 3.26Å; K357-W361 PolarHBondContact O-N 3.08Å; K357-V465 HydrophobicContact CB-CG1 4.37Å; K357-V465 HydrophobicContact CD-CG1 4.38Å; K357-V465 WeakPolarHBondContact CD-O 3.4Å; K357-V465 PolarHBondContact NZ-O 3.06Å |
| 358 | L | 88.6 | Confident | 88 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -47.8 | 176.1 | -175.2 | 58.9 | 0 | 0 | 0 | 111 | Q354 E355 G360 W361 L362 L412 L416 C454 A461 E464 V465 | Q354-L358 PolarHBondContact O-N 3.07Å; E355-L358 WeakPolarHBondContact O-CB 3.31Å; E355-L358 PolarHBondContact O-N 3.16Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.16Å; L358-W361 HydrophobicContact CD1-CE3 4.31Å; L358-W361 PolarHBondContact O-N 3.33Å; L358-L362 HydrophobicContact CG-CD1 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.31Å; L358-L412 HydrophobicContact CD2-CD1 4.2Å; L358-L412 HydrophobicContact CD2-CD2 4.19Å; L358-L412 HydrophobicContact CG-CD2 4.33Å; L358-L416 HydrophobicContact CD1-CD2 4.44Å; L358-L416 HydrophobicContact CD2-CD1 4.45Å; L358-C454 HydrophobicContact CD2-CB 4.02Å; L358-A461 HydrophobicContact CD1-CB 4.13Å; L358-A461 HydrophobicContact CD2-CB 4.26Å; L358-E464 HydrophobicContact CD1-CB 4.07Å; L358-V465 HydrophobicContact CB-CG2 3.76Å; L358-V465 HydrophobicContact CD1-CG2 4.2Å; L358-V465 HydrophobicContact CG-CG2 4.44Å |
| 359 | L | 88.7 | Confident | 87.5 | Confident | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.5 | -75.2 | 170.7 | 0 | 0 | 0 | 112.9 | E164 E355 Q356 K357 L362 Q363 K408 L412 | E164-L359 HydrophobicContact CB-CD1 4.02Å; E164-L359 HydrophobicContact CG-CD1 3.97Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 WeakPolarHBondContact O-CG 3.29Å; E355-L359 PolarHBondContact O-N 3.08Å; Q356-L359 PolarHBondContact O-N 3.34Å; K357-L359 PolarHBondContact O-N 2.81Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.28Å; L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 2.88Å; L359-K408 HydrophobicContact CD1-CD 4.26Å; L359-L412 HydrophobicContact CD2-CD2 3.77Å; L359-L412 HydrophobicContact CG-CD2 4.37Å |
| 360 | G | 88.8 | Confident | 87.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q356 K357 L358 L362 Q363 E364 | Q356-G360 PolarHBondContact O-N 3.05Å; K357-G360 PolarHBondContact O-N 3.09Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.16Å; G360-L362 VanDerWaalsContact C-N 3.27Å; G360-L362 PolarHBondContact O-N 3.03Å; G360-Q363 WeakPolarHBondContact O-CB 3.26Å; G360-Q363 PolarHBondContact O-N 3.27Å; G360-Q363 VanDerWaalsContact O-N 3.07Å; G360-E364 WeakPolarHBondContact O-CG 3.47Å; G360-E364 PolarHBondContact O-N 3.22Å |
| 361 | W | 87.4 | Confident | 87.3 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 175.3 | 177.6 | 89.5 | 0 | 0 | 0 | 112.3 | K357 L358 E364 R365 L416 E464 | K357-W361 WeakPolarHBondContact O-CB 3.26Å; K357-W361 PolarHBondContact O-N 3.08Å; L358-W361 HydrophobicContact CD1-CE3 4.31Å; L358-W361 PolarHBondContact O-N 3.33Å; W361-E364 PolarHBondContact O-N 3.39Å; W361-R365 WeakPolarHBondContact O-CG 3.48Å; W361-R365 PolarHBondContact O-N 2.93Å; W361-L416 HydrophobicContact CZ3-CD2 4.41Å; W361-E464 HydrophobicContact CD2-CB 4.3Å; W361-E464 HydrophobicContact CD2-CG 4.05Å; W361-E464 HydrophobicContact CE3-CG 4.3Å; W361-E464 HydrophobicContact CG-CB 4.4Å; W361-E464 HydrophobicContact CH2-CG 4.25Å; W361-E464 HydrophobicContact CZ2-CG 3.97Å; W361-E464 HydrophobicContact CZ3-CG 4.4Å |
| 362 | L | 85 | Confident | 87.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175 | -68 | 170.8 | 0 | 0 | 0 | 111.9 | L358 L359 G360 E364 R365 A366 L412 F415 | L358-L362 HydrophobicContact CG-CD1 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.31Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.28Å; G360-L362 VanDerWaalsContact C-N 3.27Å; G360-L362 PolarHBondContact O-N 3.03Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-R365 PolarHBondContact O-N 2.8Å; L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 3.25Å; L362-L412 HydrophobicContact CD1-CD2 3.15Å; L362-F415 HydrophobicContact CB-CZ 4.46Å; L362-F415 HydrophobicContact CD2-CD1 3.14Å; L362-F415 HydrophobicContact CD2-CE1 3.04Å; L362-F415 HydrophobicContact CD2-CE2 4.46Å; L362-F415 HydrophobicContact CD2-CG 3.9Å; L362-F415 HydrophobicContact CD2-CZ 3.72Å; L362-F415 HydrophobicContact CG-CD1 4.49Å; L362-F415 HydrophobicContact CG-CE1 4.33Å |
| 363 | Q | 86.5 | Confident | 87.5 | Confident | 99 Ų | 99 | 53.2 Ų | 53.2 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 179.2 | -176.2 | 176 | -0.7 | 0 | 0 | 112 | L359 G360 R365 A366 Y372 | L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 2.88Å; G360-Q363 WeakPolarHBondContact O-CB 3.26Å; G360-Q363 PolarHBondContact O-N 3.27Å; G360-Q363 VanDerWaalsContact O-N 3.07Å; Q363-R365 VanDerWaalsContact C-N 3.26Å; Q363-R365 PolarHBondContact O-N 3.44Å; Q363-A366 PolarHBondContact O-N 3.18Å; Q363-Y372 WeakPolarHBondContact CA-OH 3.4Å; Q363-Y372 WeakPolarHBondContact CB-OH 3.37Å |
| 364 | E | 87.3 | Confident | 87.7 | Confident | 164 Ų | 164 | 49.4 Ų | 49.4 | 77% | 0.766 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65 | -30 | 177.1 | -73.6 | 172.4 | -174.9 | 0 | 0 | 112.8 | G360 W361 L362 | G360-E364 WeakPolarHBondContact O-CG 3.47Å; G360-E364 PolarHBondContact O-N 3.22Å; W361-E364 PolarHBondContact O-N 3.39Å; L362-E364 VanDerWaalsContact C-N 3.34Å |
| 365 | R | 83.4 | Confident | 88 | Confident | 143 Ų | 143 | 49.3 Ų | 49.3 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -92.5 | -18.8 | 179.9 | -65.8 | 174.4 | 70.4 | 91.7 | -3.8 | 113.3 | W361 L362 Q363 P421 | W361-R365 WeakPolarHBondContact O-CG 3.48Å; W361-R365 PolarHBondContact O-N 2.93Å; L362-R365 PolarHBondContact O-N 2.8Å; Q363-R365 VanDerWaalsContact C-N 3.26Å; Q363-R365 PolarHBondContact O-N 3.44Å; R365-P421 VanDerWaalsContact C-CG 3.44Å; R365-P421 HydrophobicContact CB-CG 4.09Å; R365-P421 WeakPolarHBondContact O-CG 3.36Å |
| 366 | A | 84.1 | Confident | 88.3 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -66.6 | 137.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L362 Q363 A370 Y372 P421 | L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 3.25Å; Q363-A366 PolarHBondContact O-N 3.18Å; A366-A370 HydrophobicContact CB-CB 3.95Å; A366-Y372 HydrophobicContact CB-CD1 4.42Å; A366-Y372 HydrophobicContact CB-CE1 3.71Å; A366-P421 VanDerWaalsContact CA-CG 3.47Å; A366-P421 HydrophobicContact CB-CB 4.36Å; A366-P421 HydrophobicContact CB-CG 4.32Å |
| 367 | P | 82.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 47 Ų | 47 | 31% | 0.312 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 151.9 | 173.5 | 27.1 | -32.7 | 0 | 0 | 0 | 110.1 | G369 A370 | P367-G369 PolarHBondContact O-N 3.1Å; P367-A370 HydrophobicContact CG-CB 4.1Å; P367-A370 VanDerWaalsContact O-CB 3.32Å; P367-A370 WeakPolarHBondContact O-CB 3.38Å; P367-A370 PolarHBondContact O-N 2.81Å |
| 368 | P | 80.5 | Confident | 88.8 | Confident | 135 Ų | 135 | 41.8 Ų | 41.8 | 88% | 0.877 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 129.4 | 173.7 | 26 | -33.5 | 0 | 0 | 0 | 109.4 | ||
| 369 | G | 81.7 | Confident | 89.2 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 6.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P367 C371 E427 | P367-G369 PolarHBondContact O-N 3.1Å; G369-C371 PolarHBondContact O-N 2.96Å; G369-E427 WeakPolarHBondContact O-CG 3.45Å |
| 370 | A | 88.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | trans | -58.9 | 132.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A366 P367 Y372 W425 | A366-A370 HydrophobicContact CB-CB 3.95Å; P367-A370 HydrophobicContact CG-CB 4.1Å; P367-A370 VanDerWaalsContact O-CB 3.32Å; P367-A370 WeakPolarHBondContact O-CB 3.38Å; P367-A370 PolarHBondContact O-N 2.81Å; A370-Y372 HydrophobicContact CB-CD1 3.63Å; A370-Y372 HydrophobicContact CB-CE1 3.85Å; A370-W425 CarbonylContact C-O 3.55Å; A370-W425 VanDerWaalsContact CA-O 3.26Å; A370-W425 WeakPolarHBondContact CA-O 3.43Å | ||
| 371 | C | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | trans | -93.6 | 8.2 | -169.8 | 76.7 | 0 | 0 | 0 | 0 | 114 | G369 L373 K374 C375 W425 D426 E427 L430 C433 | G369-C371 PolarHBondContact O-N 2.96Å; C371-L373 PolarHBondContact O-N 3.47Å; C371-K374 CarbonylContact O-C 3.49Å; C371-K374 WeakPolarHBondContact O-CA 3.47Å; C371-K374 WeakPolarHBondContact O-CB 3.29Å; C371-K374 PolarHBondContact O-N 2.99Å; C371-K374 VanDerWaalsContact O-N 3.11Å; C371-C375 PolarHBondContact O-N 2.99Å; C371-C375 PolarHBondContact O-SG 3.02Å; C371-W425 PolarHBondContact N-O 3.42Å; C371-W425 PolarHBondContact SG-O 3.24Å; C371-D426 PolarHBondContact SG-O 3.22Å; C371-D426 VanDerWaalsContact SG-O 3.33Å; C371-E427 HydrophobicContact CB-CG 4.27Å; C371-L430 HydrophobicContact CB-CD1 4Å; C371-C433 VanDerWaalsContact SG-SG 3.69Å | ||
| 372 | Y | 91.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | -174.3 | 67.4 | -82.8 | 0 | 0 | 0 | 113.8 | Q363 A366 A370 C375 L376 L411 | Q363-Y372 WeakPolarHBondContact CA-OH 3.4Å; Q363-Y372 WeakPolarHBondContact CB-OH 3.37Å; A366-Y372 HydrophobicContact CB-CD1 4.42Å; A366-Y372 HydrophobicContact CB-CE1 3.71Å; A370-Y372 HydrophobicContact CB-CD1 3.63Å; A370-Y372 HydrophobicContact CB-CE1 3.85Å; Y372-C375 WeakPolarHBondContact O-CB 3.3Å; Y372-C375 PolarHBondContact O-N 2.98Å; Y372-L376 PolarHBondContact O-N 3.41Å; Y372-L411 HydrophobicContact CD2-CD2 4.24Å |
| 373 | L | 92.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 174.6 | -69.5 | 178.4 | 0 | 0 | 0 | 111.7 | Q165 C371 C375 L376 Q377 | Q165-L373 HydrophobicContact CB-CD1 4.41Å; C371-L373 PolarHBondContact O-N 3.47Å; L373-C375 VanDerWaalsContact C-N 3.32Å; L373-C375 PolarHBondContact O-N 3.47Å; L373-L376 PolarHBondContact O-N 2.84Å; L373-Q377 WeakPolarHBondContact O-CG 3.41Å; L373-Q377 PolarHBondContact O-N 3.24Å; L373-Q377 PolarHBondContact O-OE1 3.34Å |
| 374 | K | 94.1 | Very high | 91 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.9 | -167.5 | 177.9 | -169.7 | 176.8 | 0 | 110.4 | Y105 C371 Q377 L378 E427 L430 | Y105-K374 HydrophobicContact CD1-CD 4.34Å; Y105-K374 HydrophobicContact CD1-CG 4.16Å; Y105-K374 HydrophobicContact CD2-CG 3.82Å; Y105-K374 HydrophobicContact CE1-CD 4.34Å; Y105-K374 HydrophobicContact CE1-CG 4.07Å; Y105-K374 HydrophobicContact CE2-CB 4.43Å; Y105-K374 HydrophobicContact CE2-CG 3.74Å; Y105-K374 HydrophobicContact CG-CG 4.03Å; C371-K374 CarbonylContact O-C 3.49Å; C371-K374 WeakPolarHBondContact O-CA 3.47Å; C371-K374 WeakPolarHBondContact O-CB 3.29Å; C371-K374 PolarHBondContact O-N 2.99Å; C371-K374 VanDerWaalsContact O-N 3.11Å; K374-Q377 PolarHBondContact O-N 3.41Å; K374-L378 HydrophobicContact CG-CD1 4.34Å; K374-L378 WeakPolarHBondContact O-CB 3.43Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 3.19Å; K374-E427 IonicContact NZ-OE1 3.65Å; K374-E427 PolarHBondContact NZ-OE1 2.89Å; K374-L430 HydrophobicContact CB-CD1 4.34Å; K374-L430 HydrophobicContact CD-CD1 4.06Å; K374-L430 HydrophobicContact CD-CD2 4.02Å; K374-L430 HydrophobicContact CG-CD1 4.1Å |
| 375 | C | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 173 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | C371 Y372 L373 Q377 L378 L379 W425 C433 L437 | C371-C375 PolarHBondContact O-N 2.99Å; C371-C375 PolarHBondContact O-SG 3.02Å; Y372-C375 WeakPolarHBondContact O-CB 3.3Å; Y372-C375 PolarHBondContact O-N 2.98Å; L373-C375 VanDerWaalsContact C-N 3.32Å; L373-C375 PolarHBondContact O-N 3.47Å; C375-Q377 VanDerWaalsContact C-N 3.35Å; C375-Q377 PolarHBondContact O-N 2.85Å; C375-L378 PolarHBondContact O-N 3.23Å; C375-L379 VanDerWaalsContact O-CB 3.3Å; C375-L379 WeakPolarHBondContact O-CB 3.48Å; C375-L379 PolarHBondContact O-N 3.44Å; C375-W425 HydrophobicContact CB-CZ3 4.35Å; C375-C433 VanDerWaalsContact SG-CB 3.53Å; C375-L437 HydrophobicContact CB-CD1 3.71Å |
| 376 | L | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 178.3 | 179.3 | 57.5 | 0 | 0 | 0 | 112.3 | H166 Y372 L373 L379 K380 L407 K408 L411 | H166-L376 HydrophobicContact CB-CD2 3.65Å; H166-L376 HydrophobicContact CB-CG 4.15Å; Y372-L376 PolarHBondContact O-N 3.41Å; L373-L376 PolarHBondContact O-N 2.84Å; L376-L379 PolarHBondContact O-N 2.93Å; L376-K380 HydrophobicContact CG-CD 4.48Å; L376-K380 VanDerWaalsContact O-CG 3.32Å; L376-K380 WeakPolarHBondContact O-CG 3.19Å; L376-K380 PolarHBondContact O-N 3.41Å; L376-L407 HydrophobicContact CD1-CB 3.97Å; L376-K408 HydrophobicContact CD2-CB 4.37Å; L376-K408 HydrophobicContact CD2-CG 4.43Å; L376-L411 HydrophobicContact CB-CD2 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.04Å |
| 377 | Q | 96.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.5 | -73.4 | 170.8 | -44.7 | 0 | 0 | 111.6 | Y105 V109 Q165 H166 K167 I168 L373 K374 C375 K380 A381 | Y105-Q377 HydrophobicContact CE2-CB 4.1Å; Y105-Q377 VanDerWaalsContact CE2-OE1 3.3Å; Y105-Q377 PolarHBondContact OH-OE1 2.74Å; V109-Q377 HydrophobicContact CG1-CB 3.83Å; Q165-Q377 PolarHBondContact O-NE2 3.22Å; H166-Q377 HydrophobicContact CB-CG 4.27Å; K167-Q377 PolarHBondContact O-NE2 2.94Å; I168-Q377 HydrophobicContact CG2-CB 3.64Å; I168-Q377 HydrophobicContact CG2-CG 3.78Å; L373-Q377 WeakPolarHBondContact O-CG 3.41Å; L373-Q377 PolarHBondContact O-N 3.24Å; L373-Q377 PolarHBondContact O-OE1 3.34Å; K374-Q377 PolarHBondContact O-N 3.41Å; C375-Q377 VanDerWaalsContact C-N 3.35Å; C375-Q377 PolarHBondContact O-N 2.85Å; Q377-K380 PolarHBondContact O-N 3.17Å; Q377-A381 PolarHBondContact O-N 3.34Å |
| 378 | L | 96.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 173.5 | -78.2 | 166.6 | 0 | 0 | 0 | 111.4 | L101 Y104 Y105 V109 K374 C375 K380 A381 L382 L430 L434 | L101-L378 HydrophobicContact CD2-CD1 4.34Å; L101-L378 HydrophobicContact CD2-CD2 4.17Å; Y104-L378 HydrophobicContact CD1-CD2 4.02Å; Y105-L378 HydrophobicContact CD2-CD2 4.44Å; Y105-L378 HydrophobicContact CD2-CG 4.2Å; V109-L378 HydrophobicContact CG2-CD2 4.32Å; K374-L378 HydrophobicContact CG-CD1 4.34Å; K374-L378 WeakPolarHBondContact O-CB 3.43Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 3.19Å; C375-L378 PolarHBondContact O-N 3.23Å; L378-K380 VanDerWaalsContact C-N 3.3Å; L378-K380 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.49Å; L378-A381 WeakPolarHBondContact O-CA 3.29Å; L378-A381 WeakPolarHBondContact O-CB 3.24Å; L378-A381 PolarHBondContact O-N 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.41Å; L378-L430 HydrophobicContact CD1-CD1 4Å; L378-L430 HydrophobicContact CD1-CD2 4Å; L378-L430 HydrophobicContact CD1-CG 4.24Å; L378-L434 HydrophobicContact CB-CD1 4.29Å; L378-L434 HydrophobicContact CB-CD2 4.16Å; L378-L434 HydrophobicContact CD1-CD2 4.5Å |
| 379 | L | 96.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -40 | 177.4 | -172.8 | 61 | 0 | 0 | 0 | 111.9 | C375 L376 L382 R383 L407 L434 L437 V438 | C375-L379 VanDerWaalsContact O-CB 3.3Å; C375-L379 WeakPolarHBondContact O-CB 3.48Å; C375-L379 PolarHBondContact O-N 3.44Å; L376-L379 PolarHBondContact O-N 2.93Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 WeakPolarHBondContact O-CB 3.38Å; L379-L382 PolarHBondContact O-N 3.09Å; L379-R383 PolarHBondContact O-N 3.33Å; L379-L407 HydrophobicContact CD2-CB 4.21Å; L379-L407 HydrophobicContact CD2-CD2 3.87Å; L379-L407 HydrophobicContact CD2-CG 4.46Å; L379-L407 HydrophobicContact CG-CD1 4.23Å; L379-L407 HydrophobicContact CG-CD2 3.96Å; L379-L407 HydrophobicContact CG-CG 4.49Å; L379-L434 HydrophobicContact CB-CD1 4.08Å; L379-L437 HydrophobicContact CD2-CB 4.29Å; L379-V438 HydrophobicContact CD1-CG2 3.93Å |
| 380 | K | 96.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 171.1 | -71.9 | 171.2 | 64.3 | 165.4 | 0 | 112.1 | S161 H166 I168 L376 Q377 L378 L382 R383 D384 S404 L407 | S161-K380 VanDerWaalsContact CB-NZ 3.26Å; S161-K380 PolarHBondContact OG-NZ 2.73Å; H166-K380 PolarHBondContact CD2-NZ 3.33Å; H166-K380 VanDerWaalsContact CD2-NZ 3.35Å; H166-K380 WeakPolarHBondContact O-CE 3.33Å; H166-K380 PolarHBondContact O-NZ 2.84Å; I168-K380 HydrophobicContact CD1-CB 3.79Å; I168-K380 HydrophobicContact CG2-CB 4.39Å; L376-K380 HydrophobicContact CG-CD 4.48Å; L376-K380 VanDerWaalsContact O-CG 3.32Å; L376-K380 WeakPolarHBondContact O-CG 3.19Å; L376-K380 PolarHBondContact O-N 3.41Å; Q377-K380 PolarHBondContact O-N 3.17Å; L378-K380 VanDerWaalsContact C-N 3.3Å; L378-K380 PolarHBondContact O-N 3.34Å; K380-L382 VanDerWaalsContact C-N 3.35Å; K380-R383 WeakPolarHBondContact O-CB 3.33Å; K380-R383 PolarHBondContact O-N 2.96Å; K380-D384 PolarHBondContact O-N 3.37Å; K380-S404 VanDerWaalsContact CE-OG 3.25Å; K380-S404 WeakPolarHBondContact CE-OG 3.43Å; K380-L407 HydrophobicContact CB-CD1 4.41Å; K380-L407 HydrophobicContact CG-CD1 3.73Å |
| 381 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y104 V109 I168 Q377 L378 D384 L385 | Y104-A381 HydrophobicContact CE1-CB 3.8Å; V109-A381 HydrophobicContact CG1-CB 4.25Å; V109-A381 HydrophobicContact CG2-CB 3.59Å; I168-A381 HydrophobicContact CD1-CB 4.29Å; Q377-A381 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.49Å; L378-A381 WeakPolarHBondContact O-CA 3.29Å; L378-A381 WeakPolarHBondContact O-CB 3.24Å; L378-A381 PolarHBondContact O-N 3.29Å; A381-D384 PolarHBondContact O-N 2.89Å; A381-L385 WeakPolarHBondContact O-CG 3.4Å; A381-L385 PolarHBondContact O-N 2.84Å |
| 382 | L | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 172.7 | -67.2 | -176.1 | 0 | 0 | 0 | 111.6 | L378 L379 K380 D384 L385 G386 L434 V438 I499 W500 L503 | L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.41Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 WeakPolarHBondContact O-CB 3.38Å; L379-L382 PolarHBondContact O-N 3.09Å; K380-L382 VanDerWaalsContact C-N 3.35Å; L382-D384 VanDerWaalsContact C-N 3.27Å; L382-D384 PolarHBondContact O-N 2.94Å; L382-L385 HydrophobicContact CD2-CD1 4.41Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 3.35Å; L382-G386 PolarHBondContact O-N 3.38Å; L382-L434 HydrophobicContact CD1-CD1 4.47Å; L382-L434 HydrophobicContact CD1-CD2 4.13Å; L382-L434 HydrophobicContact CD1-CG 4.46Å; L382-V438 HydrophobicContact CD1-CG2 4.48Å; L382-I499 HydrophobicContact CD2-CG2 4.48Å; L382-W500 HydrophobicContact CD1-CE3 4.06Å; L382-W500 HydrophobicContact CD1-CZ3 4.04Å; L382-L503 HydrophobicContact CD2-CD1 3.29Å; L382-L503 HydrophobicContact CD2-CD2 4.29Å; L382-L503 HydrophobicContact CD2-CG 4.43Å |
| 383 | R | 95.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.4 | -46.8 | 171.7 | 173.8 | -155.6 | 69.7 | -177.1 | 1.2 | 111 | L379 K380 L385 G386 A387 W398 L402 S404 L407 | L379-R383 PolarHBondContact O-N 3.33Å; K380-R383 WeakPolarHBondContact O-CB 3.33Å; K380-R383 PolarHBondContact O-N 2.96Å; R383-L385 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 2.84Å; R383-G386 CarbonylContact O-C 3.54Å; R383-G386 WeakPolarHBondContact O-CA 3.36Å; R383-G386 PolarHBondContact O-N 3.5Å; R383-G386 VanDerWaalsContact O-N 3.12Å; R383-A387 PolarHBondContact O-N 3.4Å; R383-W398 PolarHBondContact O-NE1 3.37Å; R383-L402 WeakPolarHBondContact CD-O 3.17Å; R383-L402 HydrophobicContact CG-CB 3.79Å; R383-L402 HydrophobicContact CG-CD1 4.33Å; R383-L402 PolarHBondContact NH1-O 3.38Å; R383-S404 PolarHBondContact NH1-OG 3.48Å; R383-L407 HydrophobicContact CB-CD1 4.29Å |
| 384 | D | 93.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -32.3 | -179.2 | -71 | 5.2 | 0 | 0 | 0 | 112.8 | R169 K380 A381 L382 G386 | R169-D384 IonicContact CZ-OD2 3.57Å; R169-D384 VanDerWaalsContact CZ-OD2 3.29Å; R169-D384 IonicContact NH1-OD2 2.77Å; R169-D384 PolarHBondContact NH1-OD2 3.42Å; R169-D384 IonicContact NH2-OD2 2.64Å; K380-D384 PolarHBondContact O-N 3.37Å; A381-D384 PolarHBondContact O-N 2.89Å; L382-D384 VanDerWaalsContact C-N 3.27Å; L382-D384 PolarHBondContact O-N 2.94Å; D384-G386 VanDerWaalsContact C-N 3.33Å |
| 385 | L | 91.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 169.5 | -73.2 | 172.6 | 0 | 0 | 0 | 110.7 | Y104 A381 L382 R383 A387 R388 Y510 | Y104-L385 HydrophobicContact CE1-CD1 4.38Å; A381-L385 WeakPolarHBondContact O-CG 3.4Å; A381-L385 PolarHBondContact O-N 2.84Å; L382-L385 HydrophobicContact CD2-CD1 4.41Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 3.35Å; R383-L385 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 2.84Å; L385-A387 VanDerWaalsContact C-N 3.3Å; L385-A387 PolarHBondContact O-N 3.36Å; L385-R388 WeakPolarHBondContact O-CB 3.39Å; L385-R388 WeakPolarHBondContact O-CG 3.1Å; L385-R388 PolarHBondContact O-N 3.49Å; L385-R388 VanDerWaalsContact O-N 3.15Å; L385-Y510 HydrophobicContact CD2-CD2 3.83Å; L385-Y510 HydrophobicContact CD2-CE2 4.48Å; L385-Y510 HydrophobicContact CD2-CG 4.05Å |
| 386 | G | 89.9 | Confident | 92.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -31.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L382 R383 D384 R388 R495 | L382-G386 PolarHBondContact O-N 3.38Å; R383-G386 CarbonylContact O-C 3.54Å; R383-G386 WeakPolarHBondContact O-CA 3.36Å; R383-G386 PolarHBondContact O-N 3.5Å; R383-G386 VanDerWaalsContact O-N 3.12Å; D384-G386 VanDerWaalsContact C-N 3.33Å; G386-R388 PolarHBondContact O-N 2.84Å; G386-R495 VanDerWaalsContact O-CZ 3.24Å; G386-R495 PolarHBondContact O-NE 3.4Å; G386-R495 PolarHBondContact O-NH2 3.5Å |
| 387 | A | 91.8 | Very high | 92 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R383 L385 L390 | R383-A387 PolarHBondContact O-N 3.4Å; L385-A387 VanDerWaalsContact C-N 3.3Å; L385-A387 PolarHBondContact O-N 3.36Å; A387-L390 PolarHBondContact O-N 2.9Å |
| 388 | R | 89.1 | Confident | 91.9 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 43% | 0.426 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 136.7 | -177.3 | -61.9 | -176.8 | 178.4 | -151 | 0.9 | 111 | L385 G386 L390 R495 | L385-R388 WeakPolarHBondContact O-CB 3.39Å; L385-R388 WeakPolarHBondContact O-CG 3.1Å; L385-R388 PolarHBondContact O-N 3.49Å; L385-R388 VanDerWaalsContact O-N 3.15Å; G386-R388 PolarHBondContact O-N 2.84Å; R388-L390 PolarHBondContact O-N 3.34Å; R388-R495 PolarHBondContact O-NH2 2.88Å; R388-R495 VanDerWaalsContact O-NH2 3.08Å |
| 389 | G | 85.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 90% | 0.897 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 390 | L | 90.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | trans | -77.7 | 148.3 | 163 | -69.5 | 178.8 | 0 | 0 | 0 | 109.3 | A387 R388 A394 A395 W398 R495 | A387-L390 PolarHBondContact O-N 2.9Å; R388-L390 PolarHBondContact O-N 3.34Å; L390-A394 HydrophobicContact CB-CB 4.26Å; L390-A394 HydrophobicContact CD1-CB 4.48Å; L390-A394 HydrophobicContact CD2-CB 4.17Å; L390-A395 HydrophobicContact CB-CB 3.93Å; L390-W398 HydrophobicContact CD1-CB 3.87Å; L390-W398 HydrophobicContact CD1-CG 4.06Å; L390-R495 VanDerWaalsContact CD2-NH1 3.31Å | ||
| 391 | D | 92.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | trans | -62.8 | 161.8 | 163.9 | 66.5 | 83.5 | 0 | 0 | 0 | 110.4 | T393 A394 A395 | D391-T393 VanDerWaalsContact C-N 3.29Å; D391-T393 PolarHBondContact O-N 3.36Å; D391-T393 PolarHBondContact OD1-N 2.85Å; D391-T393 PolarHBondContact OD1-OG1 2.81Å; D391-A394 PolarHBondContact O-N 3.27Å; D391-A394 PolarHBondContact OD1-N 2.84Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; D391-A395 VanDerWaalsContact O-CB 3.23Å; D391-A395 WeakPolarHBondContact O-CB 3.45Å; D391-A395 PolarHBondContact O-N 3.44Å | ||
| 392 | P | 90.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 69% | 0.688 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.5 | -33.1 | -174.2 | -26.5 | 35.9 | 0 | 0 | 0 | 115 | T396 | P392-T396 WeakPolarHBondContact O-CB 3.29Å; P392-T396 PolarHBondContact O-N 3.4Å; P392-T396 VanDerWaalsContact O-N 3.09Å; P392-T396 PolarHBondContact O-OG1 2.81Å |
| 393 | T | 88.8 | Confident | 91.3 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -77.7 | -45.7 | -177.3 | 59 | 0 | 0 | 0 | 0 | 110.2 | D391 A395 T396 Q397 | D391-T393 VanDerWaalsContact C-N 3.29Å; D391-T393 PolarHBondContact O-N 3.36Å; D391-T393 PolarHBondContact OD1-N 2.85Å; D391-T393 PolarHBondContact OD1-OG1 2.81Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 2.89Å; T393-T396 WeakPolarHBondContact O-CB 3.36Å; T393-T396 PolarHBondContact O-N 3.39Å; T393-T396 VanDerWaalsContact O-N 3.17Å; T393-Q397 PolarHBondContact O-N 3.48Å |
| 394 | A | 88.9 | Confident | 91.2 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L390 D391 T396 Q397 W398 | L390-A394 HydrophobicContact CB-CB 4.26Å; L390-A394 HydrophobicContact CD1-CB 4.48Å; L390-A394 HydrophobicContact CD2-CB 4.17Å; D391-A394 PolarHBondContact O-N 3.27Å; D391-A394 PolarHBondContact OD1-N 2.84Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; A394-T396 VanDerWaalsContact C-N 3.3Å; A394-T396 PolarHBondContact O-N 2.83Å; A394-Q397 PolarHBondContact O-N 3.3Å; A394-W398 WeakPolarHBondContact O-CB 3.39Å; A394-W398 PolarHBondContact O-N 2.87Å |
| 395 | A | 90.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L390 D391 T393 G399 | L390-A395 HydrophobicContact CB-CB 3.93Å; D391-A395 VanDerWaalsContact O-CB 3.23Å; D391-A395 WeakPolarHBondContact O-CB 3.45Å; D391-A395 PolarHBondContact O-N 3.44Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 2.89Å; A395-G399 PolarHBondContact O-N 3.46Å |
| 396 | T | 89.5 | Confident | 91.3 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | P392 T393 A394 G399 R400 | P392-T396 WeakPolarHBondContact O-CB 3.29Å; P392-T396 PolarHBondContact O-N 3.4Å; P392-T396 VanDerWaalsContact O-N 3.09Å; P392-T396 PolarHBondContact O-OG1 2.81Å; T393-T396 WeakPolarHBondContact O-CB 3.36Å; T393-T396 PolarHBondContact O-N 3.39Å; T393-T396 VanDerWaalsContact O-N 3.17Å; A394-T396 VanDerWaalsContact C-N 3.3Å; A394-T396 PolarHBondContact O-N 2.83Å; T396-G399 PolarHBondContact O-N 2.88Å; T396-R400 VanDerWaalsContact O-CG 3.32Å; T396-R400 WeakPolarHBondContact O-CG 3.46Å; T396-R400 PolarHBondContact O-N 2.73Å |
| 397 | Q | 89.9 | Confident | 91.6 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.9 | -171.1 | 175.1 | 15.8 | 0 | 0 | 111.5 | T393 A394 G399 R400 I401 | T393-Q397 PolarHBondContact O-N 3.48Å; A394-Q397 PolarHBondContact O-N 3.3Å; Q397-G399 VanDerWaalsContact C-N 3.35Å; Q397-G399 PolarHBondContact O-N 2.78Å; Q397-R400 PolarHBondContact O-N 2.75Å; Q397-R400 VanDerWaalsContact O-N 3.16Å; Q397-I401 HydrophobicContact CG-CD1 4.03Å; Q397-I401 WeakPolarHBondContact O-CG1 3.32Å; Q397-I401 PolarHBondContact O-N 3.42Å |
| 398 | W | 93.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.7 | -47.8 | 172.7 | 171.7 | -97.7 | 0 | 0 | 0 | 112.1 | R383 L390 A394 R400 L402 A492 R495 L496 I499 | R383-W398 PolarHBondContact O-NE1 3.37Å; L390-W398 HydrophobicContact CD1-CB 3.87Å; L390-W398 HydrophobicContact CD1-CG 4.06Å; A394-W398 WeakPolarHBondContact O-CB 3.39Å; A394-W398 PolarHBondContact O-N 2.87Å; W398-R400 VanDerWaalsContact C-N 3.33Å; W398-R400 PolarHBondContact O-N 2.95Å; W398-L402 HydrophobicContact CD2-CD1 4.1Å; W398-L402 HydrophobicContact CE3-CD1 4.12Å; W398-L402 HydrophobicContact CH2-CD1 3.48Å; W398-L402 VanDerWaalsContact CH2-CD1 3.48Å; W398-L402 HydrophobicContact CZ2-CD1 3.45Å; W398-L402 VanDerWaalsContact CZ2-CD1 3.45Å; W398-L402 HydrophobicContact CZ3-CD1 3.81Å; W398-L402 WeakPolarHBondContact O-CB 3.5Å; W398-L402 PolarHBondContact O-N 3.29Å; W398-A492 HydrophobicContact CE3-CB 4.15Å; W398-A492 HydrophobicContact CZ3-CB 4.08Å; W398-A492 WeakPolarHBondContact CZ3-O 2.85Å; W398-R495 HydrophobicContact CH2-CB 4.16Å; W398-R495 HydrophobicContact CH2-CG 4.03Å; W398-R495 HydrophobicContact CZ3-CB 3.74Å; W398-R495 HydrophobicContact CZ3-CG 3.9Å; W398-L496 HydrophobicContact CH2-CB 4.24Å; W398-I499 HydrophobicContact CH2-CD1 3.83Å; W398-I499 HydrophobicContact CZ2-CD1 3.81Å |
| 399 | G | 92 | Very high | 92 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | A395 T396 Q397 L402 S403 | A395-G399 PolarHBondContact O-N 3.46Å; T396-G399 PolarHBondContact O-N 2.88Å; Q397-G399 VanDerWaalsContact C-N 3.35Å; Q397-G399 PolarHBondContact O-N 2.78Å; G399-L402 CarbonylContact O-C 3.52Å; G399-S403 VanDerWaalsContact O-CA 3.25Å; G399-S403 WeakPolarHBondContact O-CA 3.46Å; G399-S403 PolarHBondContact O-N 3.3Å; G399-S403 VanDerWaalsContact O-N 3.16Å |
| 400 | R | 91.1 | Very high | 92.5 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.8 | -48.5 | 174.7 | -75.2 | 177.6 | -179.8 | -161.5 | -3.3 | 111.5 | P327 T396 Q397 W398 S403 F484 | P327-R400 PolarHBondContact O-NH1 3.27Å; T396-R400 VanDerWaalsContact O-CG 3.32Å; T396-R400 WeakPolarHBondContact O-CG 3.46Å; T396-R400 PolarHBondContact O-N 2.73Å; Q397-R400 PolarHBondContact O-N 2.75Å; Q397-R400 VanDerWaalsContact O-N 3.16Å; W398-R400 VanDerWaalsContact C-N 3.33Å; W398-R400 PolarHBondContact O-N 2.95Å; R400-S403 WeakPolarHBondContact O-CB 3.35Å; R400-S403 PolarHBondContact O-N 3.47Å; R400-F484 HydrophobicContact CB-CE1 4.02Å; R400-F484 HydrophobicContact CB-CZ 4.31Å |
| 401 | I | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 177.8 | -66.4 | 168.8 | 0 | 0 | 0 | 109.8 | Q397 S403 V406 L445 F484 A488 A492 | Q397-I401 HydrophobicContact CG-CD1 4.03Å; Q397-I401 WeakPolarHBondContact O-CG1 3.32Å; Q397-I401 PolarHBondContact O-N 3.42Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.44Å; I401-V406 WeakPolarHBondContact O-CG2 3.25Å; I401-L445 HydrophobicContact CG2-CD2 3.6Å; I401-F484 HydrophobicContact CD1-CD1 4.33Å; I401-F484 HydrophobicContact CG1-CB 4.43Å; I401-F484 HydrophobicContact CG1-CD1 3.47Å; I401-F484 VanDerWaalsContact CG1-CD1 3.47Å; I401-F484 HydrophobicContact CG1-CD2 4.35Å; I401-F484 HydrophobicContact CG1-CE1 3.69Å; I401-F484 HydrophobicContact CG1-CG 3.83Å; I401-F484 HydrophobicContact CG1-CZ 4.24Å; I401-A488 HydrophobicContact CD1-CB 3.98Å; I401-A492 HydrophobicContact CD1-CB 4.3Å; I401-A492 HydrophobicContact CG2-CB 4.16Å |
| 402 | L | 95.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 42.2 | 178.7 | -58.7 | -172.9 | 0 | 0 | 0 | 111.6 | R383 W398 G399 L407 L441 L445 | R383-L402 WeakPolarHBondContact CD-O 3.17Å; R383-L402 HydrophobicContact CG-CB 3.79Å; R383-L402 HydrophobicContact CG-CD1 4.33Å; R383-L402 PolarHBondContact NH1-O 3.38Å; W398-L402 HydrophobicContact CD2-CD1 4.1Å; W398-L402 HydrophobicContact CE3-CD1 4.12Å; W398-L402 HydrophobicContact CH2-CD1 3.48Å; W398-L402 VanDerWaalsContact CH2-CD1 3.48Å; W398-L402 HydrophobicContact CZ2-CD1 3.45Å; W398-L402 VanDerWaalsContact CZ2-CD1 3.45Å; W398-L402 HydrophobicContact CZ3-CD1 3.81Å; W398-L402 WeakPolarHBondContact O-CB 3.5Å; W398-L402 PolarHBondContact O-N 3.29Å; G399-L402 CarbonylContact O-C 3.52Å; L402-L407 HydrophobicContact CB-CD2 4.47Å; L402-L407 HydrophobicContact CD2-CD2 4.41Å; L402-L441 HydrophobicContact CD2-CD1 3.91Å; L402-L441 HydrophobicContact CD2-CD2 3.82Å; L402-L441 HydrophobicContact CD2-CG 4.26Å; L402-L445 HydrophobicContact CD2-CD1 4.34Å |
| 403 | S | 93.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | trans | -56.4 | 154.2 | 177.2 | 71 | 0 | 0 | 0 | 0 | 110.8 | G399 R400 I401 Y405 V406 L407 | G399-S403 VanDerWaalsContact O-CA 3.25Å; G399-S403 WeakPolarHBondContact O-CA 3.46Å; G399-S403 PolarHBondContact O-N 3.3Å; G399-S403 VanDerWaalsContact O-N 3.16Å; R400-S403 WeakPolarHBondContact O-CB 3.35Å; R400-S403 PolarHBondContact O-N 3.47Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.44Å; S403-Y405 PolarHBondContact O-N 2.91Å; S403-Y405 VanDerWaalsContact O-N 3.07Å; S403-V406 PolarHBondContact O-N 2.94Å; S403-V406 VanDerWaalsContact O-N 3.08Å; S403-V406 WeakPolarHBondContact OG-CG2 3.36Å; S403-V406 PolarHBondContact OG-N 2.9Å; S403-V406 VanDerWaalsContact OG-N 3.16Å; S403-L407 WeakPolarHBondContact O-CG 3.44Å; S403-L407 PolarHBondContact O-N 2.93Å | ||
| 404 | S | 93.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 26 Ų | 26 | 22% | 0.217 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -24.7 | 176 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | K380 R383 K408 | K380-S404 VanDerWaalsContact CE-OG 3.25Å; K380-S404 WeakPolarHBondContact CE-OG 3.43Å; R383-S404 PolarHBondContact NH1-OG 3.48Å; S404-K408 VanDerWaalsContact O-CB 3.3Å; S404-K408 WeakPolarHBondContact O-CB 3.48Å; S404-K408 PolarHBondContact O-N 3.21Å |
| 405 | Y | 92.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 24.8 Ų | 24.8 | 29% | 0.286 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.7 | -50.2 | 173.7 | -171 | -106.4 | 0 | 0 | 0 | 111.9 | E355 S403 L407 K408 T409 H453 L480 | E355-Y405 WeakPolarHBondContact OE1-CE2 3.45Å; E355-Y405 VanDerWaalsContact OE1-CZ 3.23Å; E355-Y405 PolarHBondContact OE1-OH 3.35Å; E355-Y405 WeakPolarHBondContact OE2-CE2 3.3Å; S403-Y405 PolarHBondContact O-N 2.91Å; S403-Y405 VanDerWaalsContact O-N 3.07Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 3.34Å; Y405-K408 WeakPolarHBondContact O-CB 3.38Å; Y405-K408 PolarHBondContact O-N 3.28Å; Y405-T409 PolarHBondContact O-N 3.05Å; Y405-T409 PolarHBondContact O-OG1 3.19Å; Y405-T409 VanDerWaalsContact O-OG1 3.1Å; Y405-H453 PolarHBondContact OH-CD2 3.09Å; Y405-H453 VanDerWaalsContact OH-CD2 3.26Å; Y405-H453 PolarHBondContact OH-CE1 2.87Å; Y405-H453 PolarHBondContact OH-ND1 3.42Å; Y405-H453 PolarHBondContact OH-NE2 3.45Å; Y405-L480 HydrophobicContact CD1-CD1 4.03Å; Y405-L480 HydrophobicContact CD1-CD2 4.4Å; Y405-L480 HydrophobicContact CE1-CD1 3.71Å; Y405-L480 HydrophobicContact CE1-CD2 3.76Å; Y405-L480 HydrophobicContact CE1-CG 4.42Å |
| 406 | V | 94.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.2 | 165.6 | 0 | 0 | 0 | 0 | 111.5 | I401 S403 K408 T409 V410 L441 L451 L480 L481 | I401-V406 WeakPolarHBondContact O-CG2 3.25Å; S403-V406 PolarHBondContact O-N 2.94Å; S403-V406 VanDerWaalsContact O-N 3.08Å; S403-V406 WeakPolarHBondContact OG-CG2 3.36Å; S403-V406 PolarHBondContact OG-N 2.9Å; S403-V406 VanDerWaalsContact OG-N 3.16Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 2.96Å; V406-T409 PolarHBondContact O-N 3.37Å; V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.47Å; V406-L441 HydrophobicContact CG1-CD1 4.3Å; V406-L451 HydrophobicContact CG1-CD2 3.75Å; V406-L480 HydrophobicContact CG2-CB 4.47Å; V406-L481 HydrophobicContact CG1-CD2 4.33Å; V406-L481 HydrophobicContact CG2-CD2 4.5Å |
| 407 | L | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 179 | -60 | -177.3 | 0 | 0 | 0 | 112.4 | L376 L379 K380 R383 L402 S403 Y405 L411 L441 | L376-L407 HydrophobicContact CD1-CB 3.97Å; L379-L407 HydrophobicContact CD2-CB 4.21Å; L379-L407 HydrophobicContact CD2-CD2 3.87Å; L379-L407 HydrophobicContact CD2-CG 4.46Å; L379-L407 HydrophobicContact CG-CD1 4.23Å; L379-L407 HydrophobicContact CG-CD2 3.96Å; L379-L407 HydrophobicContact CG-CG 4.49Å; K380-L407 HydrophobicContact CB-CD1 4.41Å; K380-L407 HydrophobicContact CG-CD1 3.73Å; R383-L407 HydrophobicContact CB-CD1 4.29Å; L402-L407 HydrophobicContact CB-CD2 4.47Å; L402-L407 HydrophobicContact CD2-CD2 4.41Å; S403-L407 WeakPolarHBondContact O-CG 3.44Å; S403-L407 PolarHBondContact O-N 2.93Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 3.34Å; L407-L411 PolarHBondContact O-N 2.78Å; L407-L441 HydrophobicContact CD2-CD2 3.7Å |
| 408 | K | 95 | Very high | 91.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.022 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 174 | -179 | 180 | 66.7 | 164.5 | 0 | 110.7 | E164 E355 L359 L376 S404 Y405 V406 V410 L411 L412 | E164-K408 IonicContact OE1-NZ 3.49Å; E164-K408 VanDerWaalsContact OE2-CD 3.29Å; E164-K408 WeakPolarHBondContact OE2-CD 2.74Å; E164-K408 IonicContact OE2-NZ 3.46Å; E164-K408 PolarHBondContact OE2-NZ 3.31Å; E355-K408 WeakPolarHBondContact OE2-CE 3.3Å; E355-K408 IonicContact OE2-NZ 2.72Å; E355-K408 PolarHBondContact OE2-NZ 2.88Å; L359-K408 HydrophobicContact CD1-CD 4.26Å; L376-K408 HydrophobicContact CD2-CB 4.37Å; L376-K408 HydrophobicContact CD2-CG 4.43Å; S404-K408 VanDerWaalsContact O-CB 3.3Å; S404-K408 WeakPolarHBondContact O-CB 3.48Å; S404-K408 PolarHBondContact O-N 3.21Å; Y405-K408 WeakPolarHBondContact O-CB 3.38Å; Y405-K408 PolarHBondContact O-N 3.28Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 2.96Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 3.12Å; K408-L411 WeakPolarHBondContact O-CB 3.28Å; K408-L411 PolarHBondContact O-N 3.42Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 HydrophobicContact CG-CG 4.38Å; K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.3Å |
| 409 | T | 94.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | Y405 V406 L411 L412 T413 L451 F452 L480 | Y405-T409 PolarHBondContact O-N 3.05Å; Y405-T409 PolarHBondContact O-OG1 3.19Å; Y405-T409 VanDerWaalsContact O-OG1 3.1Å; V406-T409 PolarHBondContact O-N 3.37Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3Å; T409-L412 PolarHBondContact O-N 2.91Å; T409-T413 WeakPolarHBondContact O-CB 3.41Å; T409-T413 PolarHBondContact O-N 3.46Å; T409-T413 PolarHBondContact O-OG1 2.96Å; T409-L451 HydrophobicContact CG2-CD1 3.95Å; T409-L451 HydrophobicContact CG2-CG 4.16Å; T409-F452 VanDerWaalsContact CG2-O 3.26Å; T409-F452 WeakPolarHBondContact CG2-O 3.31Å; T409-L480 HydrophobicContact CG2-CD1 3.61Å; T409-L480 WeakPolarHBondContact OG1-CD1 3.46Å |
| 410 | V | 95.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.2 | -47.7 | 173.7 | 164.5 | 0 | 0 | 0 | 0 | 111.7 | V406 K408 T413 V414 L437 F440 L441 L451 | V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.47Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 3.12Å; V410-T413 PolarHBondContact O-N 3.28Å; V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CB 3.49Å; V410-V414 VanDerWaalsContact O-CG2 3.29Å; V410-V414 WeakPolarHBondContact O-CG2 3.38Å; V410-V414 PolarHBondContact O-N 2.81Å; V410-L437 HydrophobicContact CG1-CD2 4.02Å; V410-F440 HydrophobicContact CB-CD1 4.39Å; V410-F440 HydrophobicContact CG1-CD1 3.74Å; V410-F440 HydrophobicContact CG1-CE1 4.47Å; V410-F440 HydrophobicContact CG2-CD1 4.22Å; V410-F440 HydrophobicContact CG2-CE1 4.45Å; V410-L441 HydrophobicContact CG1-CB 4.42Å; V410-L441 HydrophobicContact CG2-CB 4.37Å; V410-L441 HydrophobicContact CG2-CD1 4.04Å; V410-L451 HydrophobicContact CG2-CD1 3.73Å; V410-L451 HydrophobicContact CG2-CD2 3.85Å; V410-L451 HydrophobicContact CG2-CG 4.48Å |
| 411 | L | 93.7 | Very high | 87.2 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 176.7 | -179.4 | 79.1 | 0 | 0 | 0 | 111.3 | Y372 L376 L407 K408 T409 T413 V414 F415 W425 L437 | Y372-L411 HydrophobicContact CD2-CD2 4.24Å; L376-L411 HydrophobicContact CB-CD2 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.04Å; L407-L411 PolarHBondContact O-N 2.78Å; K408-L411 WeakPolarHBondContact O-CB 3.28Å; K408-L411 PolarHBondContact O-N 3.42Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3Å; L411-T413 PolarHBondContact O-N 3.16Å; L411-V414 PolarHBondContact O-N 2.93Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.38Å; L411-F415 PolarHBondContact O-N 3.42Å; L411-W425 HydrophobicContact CD1-CH2 3.73Å; L411-W425 HydrophobicContact CD1-CZ3 3.83Å; L411-L437 HydrophobicContact CB-CD2 4.41Å; L411-L437 HydrophobicContact CD1-CD1 3.81Å; L411-L437 HydrophobicContact CD1-CD2 3.98Å |
| 412 | L | 91.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | -178.1 | -67.8 | 173.7 | 0 | 0 | 0 | 111.5 | L358 L359 L362 K408 T409 F415 L416 C454 | L358-L412 HydrophobicContact CD2-CD1 4.2Å; L358-L412 HydrophobicContact CD2-CD2 4.19Å; L358-L412 HydrophobicContact CG-CD2 4.33Å; L359-L412 HydrophobicContact CD2-CD2 3.77Å; L359-L412 HydrophobicContact CG-CD2 4.37Å; L362-L412 HydrophobicContact CD1-CD2 3.15Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 HydrophobicContact CG-CG 4.38Å; K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.3Å; T409-L412 PolarHBondContact O-N 2.91Å; L412-F415 PolarHBondContact O-N 3.16Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.04Å; L412-C454 WeakPolarHBondContact CB-SG 3.33Å |
| 413 | T | 90.7 | Very high | 84 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 179.2 | -60 | 0 | 0 | 0 | 0 | 111.9 | T409 V410 L411 F415 L416 N417 F440 | T409-T413 WeakPolarHBondContact O-CB 3.41Å; T409-T413 PolarHBondContact O-N 3.46Å; T409-T413 PolarHBondContact O-OG1 2.96Å; V410-T413 PolarHBondContact O-N 3.28Å; L411-T413 PolarHBondContact O-N 3.16Å; T413-F415 VanDerWaalsContact C-N 3.27Å; T413-F415 PolarHBondContact O-N 3.34Å; T413-L416 PolarHBondContact O-N 3.37Å; T413-N417 WeakPolarHBondContact O-CB 3.35Å; T413-N417 PolarHBondContact O-N 3.17Å; T413-N417 PolarHBondContact O-ND2 2.92Å; T413-F440 HydrophobicContact CG2-CE1 4.21Å; T413-F440 HydrophobicContact CG2-CE2 4.46Å; T413-F440 HydrophobicContact CG2-CZ 3.61Å |
| 414 | V | 90.1 | Very high | 83 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | V410 L411 N417 E418 W425 L437 F440 | V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CB 3.49Å; V410-V414 VanDerWaalsContact O-CG2 3.29Å; V410-V414 WeakPolarHBondContact O-CG2 3.38Å; V410-V414 PolarHBondContact O-N 2.81Å; L411-V414 PolarHBondContact O-N 2.93Å; V414-N417 PolarHBondContact O-N 3.48Å; V414-E418 PolarHBondContact O-N 3.28Å; V414-E418 VanDerWaalsContact O-N 3.09Å; V414-W425 HydrophobicContact CG1-CZ2 4.05Å; V414-L437 HydrophobicContact CB-CD2 4.16Å; V414-L437 HydrophobicContact CG1-CD2 4.41Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; V414-F440 HydrophobicContact CG2-CB 3.77Å; V414-F440 HydrophobicContact CG2-CD1 3.79Å; V414-F440 HydrophobicContact CG2-CD2 3.58Å; V414-F440 HydrophobicContact CG2-CE1 4.24Å; V414-F440 HydrophobicContact CG2-CE2 4.08Å; V414-F440 HydrophobicContact CG2-CG 3.41Å; V414-F440 VanDerWaalsContact CG2-CG 3.41Å; V414-F440 HydrophobicContact CG2-CZ 4.39Å |
| 415 | F | 85.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 180 | -163.1 | -72.3 | 0 | 0 | 0 | 112.7 | L362 L411 L412 T413 N417 E418 G420 P421 | L362-F415 HydrophobicContact CB-CZ 4.46Å; L362-F415 HydrophobicContact CD2-CD1 3.14Å; L362-F415 HydrophobicContact CD2-CE1 3.04Å; L362-F415 HydrophobicContact CD2-CE2 4.46Å; L362-F415 HydrophobicContact CD2-CG 3.9Å; L362-F415 HydrophobicContact CD2-CZ 3.72Å; L362-F415 HydrophobicContact CG-CD1 4.49Å; L362-F415 HydrophobicContact CG-CE1 4.33Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.38Å; L411-F415 PolarHBondContact O-N 3.42Å; L412-F415 PolarHBondContact O-N 3.16Å; T413-F415 VanDerWaalsContact C-N 3.27Å; T413-F415 PolarHBondContact O-N 3.34Å; F415-N417 VanDerWaalsContact C-N 3.34Å; F415-E418 PolarHBondContact O-N 2.93Å; F415-G420 PolarHBondContact O-N 2.92Å; F415-P421 HydrophobicContact CE1-CB 4.21Å; F415-P421 VanDerWaalsContact CE1-CD 3.44Å; F415-P421 HydrophobicContact CE1-CG 4.09Å; F415-P421 HydrophobicContact CE2-CB 3.7Å; F415-P421 HydrophobicContact CE2-CG 4.35Å; F415-P421 HydrophobicContact CZ-CB 3.31Å; F415-P421 HydrophobicContact CZ-CG 3.47Å; F415-P421 VanDerWaalsContact CZ-CG 3.47Å |
| 416 | L | 83.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 29% | 0.293 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.7 | -71.9 | 171.1 | 0 | 0 | 0 | 111.6 | L358 W361 L412 T413 E418 G419 | L358-L416 HydrophobicContact CD1-CD2 4.44Å; L358-L416 HydrophobicContact CD2-CD1 4.45Å; W361-L416 HydrophobicContact CZ3-CD2 4.41Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.04Å; T413-L416 PolarHBondContact O-N 3.37Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.01Å; L416-G419 PolarHBondContact O-N 2.92Å |
| 417 | N | 83.1 | Confident | 81.9 | Confident | 116 Ų | 116 | 38.5 Ų | 38.5 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.2 | -31.7 | 177.2 | -70.9 | -15.3 | 0 | 0 | 0 | 113.2 | T413 V414 F415 G419 | T413-N417 WeakPolarHBondContact O-CB 3.35Å; T413-N417 PolarHBondContact O-N 3.17Å; T413-N417 PolarHBondContact O-ND2 2.92Å; V414-N417 PolarHBondContact O-N 3.48Å; F415-N417 VanDerWaalsContact C-N 3.34Å; N417-G419 PolarHBondContact O-N 3.5Å |
| 418 | E | 78.9 | Confident | 81.4 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.1 | 176.4 | -72 | -169.2 | 162.9 | 0 | 0 | 112.8 | V414 F415 L416 G420 S424 W425 K436 | V414-E418 PolarHBondContact O-N 3.28Å; V414-E418 VanDerWaalsContact O-N 3.09Å; F415-E418 PolarHBondContact O-N 2.93Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.01Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.09Å; E418-S424 PolarHBondContact OE2-OG 3.2Å; E418-W425 PolarHBondContact OE2-NE1 3.41Å; E418-K436 IonicContact OE1-NZ 3.2Å; E418-K436 PolarHBondContact OE1-NZ 2.8Å |
| 419 | G | 65.9 | Low | 81.1 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 66% | 0.66 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 12.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L416 N417 | L416-G419 PolarHBondContact O-N 2.92Å; N417-G419 PolarHBondContact O-N 3.5Å |
| 420 | G | 62.8 | Low | 81 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 126.3 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F415 E418 T422 | F415-G420 PolarHBondContact O-N 2.92Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.09Å; G420-T422 PolarHBondContact O-N 3.02Å |
| 421 | P | 58.7 | Low | 80.8 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | trans | -78.4 | 96.7 | -179.7 | 29.3 | -24.8 | 0 | 0 | 0 | 109.4 | R365 A366 F415 | R365-P421 VanDerWaalsContact C-CG 3.44Å; R365-P421 HydrophobicContact CB-CG 4.09Å; R365-P421 WeakPolarHBondContact O-CG 3.36Å; A366-P421 VanDerWaalsContact CA-CG 3.47Å; A366-P421 HydrophobicContact CB-CB 4.36Å; A366-P421 HydrophobicContact CB-CG 4.32Å; F415-P421 HydrophobicContact CE1-CB 4.21Å; F415-P421 VanDerWaalsContact CE1-CD 3.44Å; F415-P421 HydrophobicContact CE1-CG 4.09Å; F415-P421 HydrophobicContact CE2-CB 3.7Å; F415-P421 HydrophobicContact CE2-CG 4.35Å; F415-P421 HydrophobicContact CZ-CB 3.31Å; F415-P421 HydrophobicContact CZ-CG 3.47Å; F415-P421 VanDerWaalsContact CZ-CG 3.47Å | ||
| 422 | T | 62.3 | Low | 80.7 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -79.5 | 178.5 | 168.8 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | G420 S424 W425 | G420-T422 PolarHBondContact O-N 3.02Å; T422-S424 PolarHBondContact O-N 2.9Å; T422-S424 WeakPolarHBondContact OG1-CB 3.44Å; T422-S424 PolarHBondContact OG1-N 3.19Å; T422-S424 PolarHBondContact OG1-OG 3.49Å; T422-W425 PolarHBondContact O-N 3.26Å | ||
| 423 | H | 60.5 | Low | 80.8 | Confident | 169 Ų | 169 | 51.5 Ų | 51.5 | 78% | 0.782 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -52.8 | -12.1 | 168 | -67.7 | -77.8 | 0 | 0 | 0 | 113.4 | W425 D426 | H423-W425 PolarHBondContact O-N 2.98Å; H423-D426 PolarHBondContact O-N 3.25Å |
| 424 | S | 74.1 | Confident | 80.9 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -63.5 | -16.5 | 176.7 | 74.7 | 0 | 0 | 0 | 0 | 115 | E418 T422 C433 | E418-S424 PolarHBondContact OE2-OG 3.2Å; T422-S424 PolarHBondContact O-N 2.9Å; T422-S424 WeakPolarHBondContact OG1-CB 3.44Å; T422-S424 PolarHBondContact OG1-N 3.19Å; T422-S424 PolarHBondContact OG1-OG 3.49Å; S424-C433 PolarHBondContact O-SG 3.47Å |
| 425 | W | 85.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -105.8 | 20 | -178.4 | -70.7 | 90.2 | 0 | 0 | 0 | 113.7 | A370 C371 C375 L411 V414 E418 T422 H423 C433 L437 | A370-W425 CarbonylContact C-O 3.55Å; A370-W425 VanDerWaalsContact CA-O 3.26Å; A370-W425 WeakPolarHBondContact CA-O 3.43Å; C371-W425 PolarHBondContact N-O 3.42Å; C371-W425 PolarHBondContact SG-O 3.24Å; C375-W425 HydrophobicContact CB-CZ3 4.35Å; L411-W425 HydrophobicContact CD1-CH2 3.73Å; L411-W425 HydrophobicContact CD1-CZ3 3.83Å; V414-W425 HydrophobicContact CG1-CZ2 4.05Å; E418-W425 PolarHBondContact OE2-NE1 3.41Å; T422-W425 PolarHBondContact O-N 3.26Å; H423-W425 PolarHBondContact O-N 2.98Å; W425-C433 HydrophobicContact CE3-CB 3.99Å; W425-C433 HydrophobicContact CZ3-CB 3.92Å; W425-L437 HydrophobicContact CH2-CD1 4.29Å; W425-L437 HydrophobicContact CH2-CD2 4.09Å; W425-L437 HydrophobicContact CH2-CG 4.22Å; W425-L437 HydrophobicContact CZ3-CD1 4.41Å |
| 426 | D | 86.4 | Confident | 81.5 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -68 | 154.6 | 174.5 | -170.4 | 11.3 | 0 | 0 | 0 | 112.1 | C371 H423 A428 H429 | C371-D426 PolarHBondContact SG-O 3.22Å; C371-D426 VanDerWaalsContact SG-O 3.33Å; H423-D426 PolarHBondContact O-N 3.25Å; D426-A428 PolarHBondContact O-N 2.71Å; D426-H429 PolarHBondContact O-N 3.35Å |
| 427 | E | 85.9 | Confident | 82.1 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -58 | -33.1 | 174.9 | -65.2 | -147.1 | 116.7 | 0 | 0 | 112 | G369 C371 K374 H429 L430 | G369-E427 WeakPolarHBondContact O-CG 3.45Å; C371-E427 HydrophobicContact CB-CG 4.27Å; K374-E427 IonicContact NZ-OE1 3.65Å; K374-E427 PolarHBondContact NZ-OE1 2.89Å; E427-H429 PolarHBondContact O-N 2.89Å; E427-H429 VanDerWaalsContact O-N 3.16Å; E427-L430 VanDerWaalsContact O-CB 3.26Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.21Å; E427-L430 VanDerWaalsContact O-N 3.08Å |
| 428 | A | 86.5 | Confident | 82.8 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -56.9 | -29.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D426 | D426-A428 PolarHBondContact O-N 2.71Š|
| 429 | H | 87.8 | Confident | 83.6 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -101.5 | 14.4 | -178.2 | -55.3 | 102.1 | 0 | 0 | 0 | 112.9 | D426 E427 S431 E432 C433 | D426-H429 PolarHBondContact O-N 3.35Å; E427-H429 PolarHBondContact O-N 2.89Å; E427-H429 VanDerWaalsContact O-N 3.16Å; H429-S431 VanDerWaalsContact C-N 3.27Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-S431 VanDerWaalsContact O-N 3.09Å; H429-E432 IonicContact CD2-OE2 3.78Å; H429-E432 WeakPolarHBondContact O-CA 3.41Å; H429-E432 WeakPolarHBondContact O-CB 3.04Å; H429-E432 PolarHBondContact O-N 3.33Å; H429-C433 PolarHBondContact O-N 3.14Å; H429-C433 PolarHBondContact O-SG 3.46Å |
| 430 | L | 91.3 | Very high | 85 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.5 | -44 | -174.7 | 177.8 | 65.5 | 0 | 0 | 0 | 113.9 | L101 E102 C371 K374 L378 E427 L434 | L101-L430 HydrophobicContact CB-CD2 4.36Å; E102-L430 HydrophobicContact CG-CD2 4.41Å; C371-L430 HydrophobicContact CB-CD1 4Å; K374-L430 HydrophobicContact CB-CD1 4.34Å; K374-L430 HydrophobicContact CD-CD1 4.06Å; K374-L430 HydrophobicContact CD-CD2 4.02Å; K374-L430 HydrophobicContact CG-CD1 4.1Å; L378-L430 HydrophobicContact CD1-CD1 4Å; L378-L430 HydrophobicContact CD1-CD2 4Å; L378-L430 HydrophobicContact CD1-CG 4.24Å; E427-L430 VanDerWaalsContact O-CB 3.26Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.21Å; E427-L430 VanDerWaalsContact O-N 3.08Å; L430-L434 VanDerWaalsContact O-CB 3.31Å; L430-L434 WeakPolarHBondContact O-CB 3.23Å; L430-L434 PolarHBondContact O-N 2.91Å |
| 431 | S | 91.9 | Very high | 86.6 | Confident | 31 Ų | 31 | 47 Ų | 47 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 179 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | H429 L434 E435 | H429-S431 VanDerWaalsContact C-N 3.27Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-S431 VanDerWaalsContact O-N 3.09Å; S431-L434 PolarHBondContact O-N 2.9Å; S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 PolarHBondContact O-N 3.41Å |
| 432 | E | 91.9 | Very high | 88.4 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.9 | -43.7 | 179.5 | -61.5 | 177.1 | -167.8 | 0 | 0 | 110.9 | H429 L434 E435 K436 | H429-E432 IonicContact CD2-OE2 3.78Å; H429-E432 WeakPolarHBondContact O-CA 3.41Å; H429-E432 WeakPolarHBondContact O-CB 3.04Å; H429-E432 PolarHBondContact O-N 3.33Å; E432-L434 VanDerWaalsContact C-N 3.3Å; E432-L434 PolarHBondContact O-N 3.09Å; E432-E435 WeakPolarHBondContact O-CB 3.41Å; E432-E435 PolarHBondContact O-N 3.19Å; E432-K436 WeakPolarHBondContact O-CG 3.06Å; E432-K436 PolarHBondContact O-N 3.39Å |
| 433 | C | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | C371 C375 S424 W425 H429 K436 L437 | C371-C433 VanDerWaalsContact SG-SG 3.69Å; C375-C433 VanDerWaalsContact SG-CB 3.53Å; S424-C433 PolarHBondContact O-SG 3.47Å; W425-C433 HydrophobicContact CE3-CB 3.99Å; W425-C433 HydrophobicContact CZ3-CB 3.92Å; H429-C433 PolarHBondContact O-N 3.14Å; H429-C433 PolarHBondContact O-SG 3.46Å; C433-K436 WeakPolarHBondContact O-CB 3.18Å; C433-K436 PolarHBondContact O-N 2.74Å; C433-L437 WeakPolarHBondContact O-CG 3.26Å; C433-L437 PolarHBondContact O-N 2.89Å; C433-L437 VanDerWaalsContact O-N 3.14Å |
| 434 | L | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 178.1 | -171.4 | 63.1 | 0 | 0 | 0 | 111.5 | L101 L378 L379 L382 L430 S431 E432 K436 L437 V438 W500 | L101-L434 HydrophobicContact CD1-CD2 4.35Å; L101-L434 HydrophobicContact CD2-CD2 4.07Å; L378-L434 HydrophobicContact CB-CD1 4.29Å; L378-L434 HydrophobicContact CB-CD2 4.16Å; L378-L434 HydrophobicContact CD1-CD2 4.5Å; L379-L434 HydrophobicContact CB-CD1 4.08Å; L382-L434 HydrophobicContact CD1-CD1 4.47Å; L382-L434 HydrophobicContact CD1-CD2 4.13Å; L382-L434 HydrophobicContact CD1-CG 4.46Å; L430-L434 VanDerWaalsContact O-CB 3.31Å; L430-L434 WeakPolarHBondContact O-CB 3.23Å; L430-L434 PolarHBondContact O-N 2.91Å; S431-L434 PolarHBondContact O-N 2.9Å; E432-L434 VanDerWaalsContact C-N 3.3Å; E432-L434 PolarHBondContact O-N 3.09Å; L434-K436 PolarHBondContact O-N 3Å; L434-L437 PolarHBondContact O-N 3Å; L434-V438 WeakPolarHBondContact O-CG2 3.25Å; L434-V438 PolarHBondContact O-N 3Å; L434-W500 HydrophobicContact CB-CH2 4.04Å; L434-W500 HydrophobicContact CB-CZ3 4.35Å; L434-W500 HydrophobicContact CD2-CH2 4.02Å; L434-W500 HydrophobicContact CD2-CZ3 3.68Å; L434-W500 HydrophobicContact CG-CH2 3.84Å; L434-W500 HydrophobicContact CG-CZ3 3.63Å |
| 435 | E | 94.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61 | -43.3 | 174.9 | -166.4 | 178.5 | 170.1 | 0 | 0 | 112 | S431 E432 L437 V438 K439 W500 | S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 PolarHBondContact O-N 3.41Å; E432-E435 WeakPolarHBondContact O-CB 3.41Å; E432-E435 PolarHBondContact O-N 3.19Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 2.82Å; E435-V438 PolarHBondContact O-N 2.93Å; E435-K439 VanDerWaalsContact CD-NZ 3.29Å; E435-K439 HydrophobicContact CG-CD 4.16Å; E435-K439 HydrophobicContact CG-CG 4.45Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.1Å; E435-K439 PolarHBondContact O-N 2.82Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.11Å; E435-K439 PolarHBondContact OE1-NZ 2.9Å; E435-W500 HydrophobicContact CB-CH2 4.08Å; E435-W500 HydrophobicContact CB-CZ2 3.49Å; E435-W500 VanDerWaalsContact CB-CZ2 3.49Å; E435-W500 HydrophobicContact CG-CZ2 3.68Å |
| 436 | K | 93.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 174.9 | -72 | 175.3 | 178.5 | -169.9 | 0 | 111.2 | E418 E432 C433 L434 K439 F440 | E418-K436 IonicContact OE1-NZ 3.2Å; E418-K436 PolarHBondContact OE1-NZ 2.8Å; E432-K436 WeakPolarHBondContact O-CG 3.06Å; E432-K436 PolarHBondContact O-N 3.39Å; C433-K436 WeakPolarHBondContact O-CB 3.18Å; C433-K436 PolarHBondContact O-N 2.74Å; L434-K436 PolarHBondContact O-N 3Å; K436-K439 PolarHBondContact O-N 3.2Å; K436-F440 WeakPolarHBondContact O-CB 3.39Å; K436-F440 PolarHBondContact O-N 2.87Å |
| 437 | L | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.1 | -66.4 | 173.9 | 0 | 0 | 0 | 112.3 | C375 L379 V410 L411 V414 W425 C433 L434 E435 F440 L441 | C375-L437 HydrophobicContact CB-CD1 3.71Å; L379-L437 HydrophobicContact CD2-CB 4.29Å; V410-L437 HydrophobicContact CG1-CD2 4.02Å; L411-L437 HydrophobicContact CB-CD2 4.41Å; L411-L437 HydrophobicContact CD1-CD1 3.81Å; L411-L437 HydrophobicContact CD1-CD2 3.98Å; V414-L437 HydrophobicContact CB-CD2 4.16Å; V414-L437 HydrophobicContact CG1-CD2 4.41Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; W425-L437 HydrophobicContact CH2-CD1 4.29Å; W425-L437 HydrophobicContact CH2-CD2 4.09Å; W425-L437 HydrophobicContact CH2-CG 4.22Å; W425-L437 HydrophobicContact CZ3-CD1 4.41Å; C433-L437 WeakPolarHBondContact O-CG 3.26Å; C433-L437 PolarHBondContact O-N 2.89Å; C433-L437 VanDerWaalsContact O-N 3.14Å; L434-L437 PolarHBondContact O-N 3Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 2.82Å; L437-F440 PolarHBondContact O-N 2.94Å; L437-L441 VanDerWaalsContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.42Å |
| 438 | V | 96.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L379 L382 L434 E435 L441 R442 L496 W500 | L379-V438 HydrophobicContact CD1-CG2 3.93Å; L382-V438 HydrophobicContact CD1-CG2 4.48Å; L434-V438 WeakPolarHBondContact O-CG2 3.25Å; L434-V438 PolarHBondContact O-N 3Å; E435-V438 PolarHBondContact O-N 2.93Å; V438-L441 PolarHBondContact O-N 3.33Å; V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 PolarHBondContact O-N 2.84Å; V438-L496 HydrophobicContact CG1-CD1 4.48Å; V438-L496 HydrophobicContact CG1-CD2 4.22Å; V438-L496 HydrophobicContact CG1-CG 4.11Å; V438-W500 HydrophobicContact CB-CD2 4.39Å; V438-W500 HydrophobicContact CB-CE3 4.3Å; V438-W500 HydrophobicContact CG1-CB 4.23Å; V438-W500 HydrophobicContact CG1-CD2 4.13Å; V438-W500 HydrophobicContact CG1-CE3 4.32Å; V438-W500 HydrophobicContact CG1-CG 4.08Å; V438-W500 HydrophobicContact CG2-CD2 4.28Å; V438-W500 HydrophobicContact CG2-CE3 3.7Å; V438-W500 HydrophobicContact CG2-CZ3 3.9Å |
| 439 | K | 95.8 | Very high | 94 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 40% | 0.4 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -46 | 175 | -75.7 | 173.5 | 179.1 | 164.8 | 0 | 111.5 | E435 K436 R442 D443 | E435-K439 VanDerWaalsContact CD-NZ 3.29Å; E435-K439 HydrophobicContact CG-CD 4.16Å; E435-K439 HydrophobicContact CG-CG 4.45Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.1Å; E435-K439 PolarHBondContact O-N 2.82Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.11Å; E435-K439 PolarHBondContact OE1-NZ 2.9Å; K436-K439 PolarHBondContact O-N 3.2Å; K439-R442 WeakPolarHBondContact O-CB 3.41Å; K439-R442 PolarHBondContact O-N 2.99Å; K439-D443 VanDerWaalsContact O-CG 3.27Å; K439-D443 PolarHBondContact O-N 2.78Å |
| 440 | F | 95.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 177.7 | -172.4 | -86.7 | 0 | 0 | 0 | 111.2 | V410 T413 V414 K436 L437 R442 D443 C444 L451 | V410-F440 HydrophobicContact CB-CD1 4.39Å; V410-F440 HydrophobicContact CG1-CD1 3.74Å; V410-F440 HydrophobicContact CG1-CE1 4.47Å; V410-F440 HydrophobicContact CG2-CD1 4.22Å; V410-F440 HydrophobicContact CG2-CE1 4.45Å; T413-F440 HydrophobicContact CG2-CE1 4.21Å; T413-F440 HydrophobicContact CG2-CE2 4.46Å; T413-F440 HydrophobicContact CG2-CZ 3.61Å; V414-F440 HydrophobicContact CG2-CB 3.77Å; V414-F440 HydrophobicContact CG2-CD1 3.79Å; V414-F440 HydrophobicContact CG2-CD2 3.58Å; V414-F440 HydrophobicContact CG2-CE1 4.24Å; V414-F440 HydrophobicContact CG2-CE2 4.08Å; V414-F440 HydrophobicContact CG2-CG 3.41Å; V414-F440 VanDerWaalsContact CG2-CG 3.41Å; V414-F440 HydrophobicContact CG2-CZ 4.39Å; K436-F440 WeakPolarHBondContact O-CB 3.39Å; K436-F440 PolarHBondContact O-N 2.87Å; L437-F440 PolarHBondContact O-N 2.94Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 3.45Å; F440-D443 PolarHBondContact O-N 3.31Å; F440-D443 VanDerWaalsContact O-N 3.15Å; F440-C444 WeakPolarHBondContact CE1-SG 3.5Å; F440-C444 PolarHBondContact O-N 3.05Å; F440-C444 PolarHBondContact O-SG 2.87Å; F440-C444 VanDerWaalsContact O-SG 3.33Å; F440-L451 HydrophobicContact CE1-CD1 4.01Å |
| 441 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 177.2 | 175.4 | 59.5 | 0 | 0 | 0 | 112 | L402 V406 L407 V410 L437 V438 D443 C444 L445 L496 | L402-L441 HydrophobicContact CD2-CD1 3.91Å; L402-L441 HydrophobicContact CD2-CD2 3.82Å; L402-L441 HydrophobicContact CD2-CG 4.26Å; V406-L441 HydrophobicContact CG1-CD1 4.3Å; L407-L441 HydrophobicContact CD2-CD2 3.7Å; V410-L441 HydrophobicContact CG1-CB 4.42Å; V410-L441 HydrophobicContact CG2-CB 4.37Å; V410-L441 HydrophobicContact CG2-CD1 4.04Å; L437-L441 VanDerWaalsContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.42Å; V438-L441 PolarHBondContact O-N 3.33Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.36Å; L441-C444 PolarHBondContact O-N 3.03Å; L441-L445 HydrophobicContact CD1-CD1 4.24Å; L441-L445 HydrophobicContact CD1-CG 4.22Å; L441-L445 HydrophobicContact CG-CD1 4.14Å; L441-L445 VanDerWaalsContact O-CG 3.29Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.36Å; L441-L496 HydrophobicContact CB-CD2 4.25Å; L441-L496 HydrophobicContact CD2-CD2 3.58Å; L441-L496 HydrophobicContact CG-CD2 3.76Å |
| 442 | R | 96.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 173 | 174.8 | -153.4 | 67.4 | -163.9 | -3.2 | 111 | V438 K439 F440 C444 L445 L446 L497 | V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 PolarHBondContact O-N 2.84Å; K439-R442 WeakPolarHBondContact O-CB 3.41Å; K439-R442 PolarHBondContact O-N 2.99Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 3.45Å; R442-C444 VanDerWaalsContact C-N 3.25Å; R442-C444 PolarHBondContact O-N 3.41Å; R442-L445 PolarHBondContact O-N 3.15Å; R442-L445 VanDerWaalsContact O-N 3.15Å; R442-L446 HydrophobicContact CG-CD1 3.83Å; R442-L446 HydrophobicContact CG-CG 4.37Å; R442-L446 WeakPolarHBondContact O-CG 3.21Å; R442-L446 PolarHBondContact O-N 3.44Å; R442-L497 HydrophobicContact CG-CD1 4.14Å; R442-L497 HydrophobicContact CG-CD2 4.46Å; R442-L497 HydrophobicContact CG-CG 4.36Å |
| 443 | D | 96.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -35.1 | -178.1 | -67.4 | -18.4 | 0 | 0 | 0 | 111.5 | K439 F440 L441 R447 R448 R449 | K439-D443 VanDerWaalsContact O-CG 3.27Å; K439-D443 PolarHBondContact O-N 2.78Å; F440-D443 PolarHBondContact O-N 3.31Å; F440-D443 VanDerWaalsContact O-N 3.15Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.36Å; D443-R447 PolarHBondContact O-N 3.04Å; D443-R448 HydrophobicContact CB-CB 4.16Å; D443-R448 WeakPolarHBondContact O-CB 3.43Å; D443-R448 PolarHBondContact O-N 3.29Å; D443-R449 HydrophobicContact CB-CG 4.28Å; D443-R449 PolarHBondContact O-N 3.1Å |
| 444 | C | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 171.6 | -65.5 | 0 | 0 | 0 | 0 | 113 | F440 L441 R442 L446 R447 R449 L451 L481 | F440-C444 WeakPolarHBondContact CE1-SG 3.5Å; F440-C444 PolarHBondContact O-N 3.05Å; F440-C444 PolarHBondContact O-SG 2.87Å; F440-C444 VanDerWaalsContact O-SG 3.33Å; L441-C444 PolarHBondContact O-N 3.03Å; R442-C444 VanDerWaalsContact C-N 3.25Å; R442-C444 PolarHBondContact O-N 3.41Å; C444-L446 VanDerWaalsContact C-N 3.33Å; C444-L446 PolarHBondContact O-N 3.43Å; C444-R447 PolarHBondContact O-N 2.93Å; C444-R449 VanDerWaalsContact CA-O 3.31Å; C444-R449 WeakPolarHBondContact CA-O 3.39Å; C444-L451 HydrophobicContact CB-CB 4.18Å; C444-L481 HydrophobicContact CB-CD1 3.71Å |
| 445 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.6 | -69.3 | 169.1 | 0 | 0 | 0 | 111.8 | I401 L402 L441 R442 R447 L481 R489 A492 A493 L496 | I401-L445 HydrophobicContact CG2-CD2 3.6Å; L402-L445 HydrophobicContact CD2-CD1 4.34Å; L441-L445 HydrophobicContact CD1-CD1 4.24Å; L441-L445 HydrophobicContact CD1-CG 4.22Å; L441-L445 HydrophobicContact CG-CD1 4.14Å; L441-L445 VanDerWaalsContact O-CG 3.29Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.36Å; R442-L445 PolarHBondContact O-N 3.15Å; R442-L445 VanDerWaalsContact O-N 3.15Å; L445-R447 PolarHBondContact O-N 3.41Å; L445-L481 HydrophobicContact CD2-CD1 4.34Å; L445-L481 HydrophobicContact CD2-CD2 4.43Å; L445-R489 HydrophobicContact CB-CB 4.42Å; L445-R489 HydrophobicContact CD2-CB 4.22Å; L445-R489 HydrophobicContact CD2-CG 4.41Å; L445-R489 VanDerWaalsContact O-CB 3.29Å; L445-R489 WeakPolarHBondContact O-CB 3.44Å; L445-A492 HydrophobicContact CD1-CB 4.35Å; L445-A492 HydrophobicContact CD2-CB 4.45Å; L445-A493 HydrophobicContact CB-CB 3.84Å; L445-A493 HydrophobicContact CD1-CB 4.09Å; L445-L496 HydrophobicContact CD1-CD2 4.32Å |
| 446 | L | 95.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 12.6 | 178.6 | -62.4 | 178.6 | 0 | 0 | 0 | 113.9 | R442 C444 R448 E490 A493 | R442-L446 HydrophobicContact CG-CD1 3.83Å; R442-L446 HydrophobicContact CG-CG 4.37Å; R442-L446 WeakPolarHBondContact O-CG 3.21Å; R442-L446 PolarHBondContact O-N 3.44Å; C444-L446 VanDerWaalsContact C-N 3.33Å; C444-L446 PolarHBondContact O-N 3.43Å; L446-R448 HydrophobicContact CB-CG 4.15Å; L446-R448 PolarHBondContact O-N 3.32Å; L446-E490 HydrophobicContact CD2-CG 4.15Å; L446-A493 HydrophobicContact CD2-CB 3.8Å; L446-A493 HydrophobicContact CG-CB 4.03Å |
| 447 | R | 90.8 | Very high | 92.9 | Very high | 138 Ų | 138 | 42.9 Ų | 42.9 | 52% | 0.521 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 24.7 | -176.5 | -65.1 | -170.7 | -180 | 171.8 | 1.7 | 114.9 | D443 C444 L445 R449 L486 | D443-R447 PolarHBondContact O-N 3.04Å; C444-R447 PolarHBondContact O-N 2.93Å; L445-R447 PolarHBondContact O-N 3.41Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-L486 HydrophobicContact CG-CD1 3.99Å |
| 448 | R | 92.3 | Very high | 92.2 | Very high | 173 Ų | 173 | 46.6 Ų | 46.6 | 65% | 0.653 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -79.8 | -20.5 | 172.2 | -60.9 | 179.9 | -179.7 | -169.5 | -3.8 | 111.4 | D443 L446 | D443-R448 HydrophobicContact CB-CB 4.16Å; D443-R448 WeakPolarHBondContact O-CB 3.43Å; D443-R448 PolarHBondContact O-N 3.29Å; L446-R448 HydrophobicContact CB-CG 4.15Å; L446-R448 PolarHBondContact O-N 3.32Å |
| 449 | R | 91.3 | Very high | 91 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 50% | 0.502 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -145.6 | 148.3 | 176.8 | -65.8 | -173.9 | 175.6 | -172.1 | -2.8 | 109.3 | D443 C444 R447 | D443-R449 HydrophobicContact CB-CG 4.28Å; D443-R449 PolarHBondContact O-N 3.1Å; C444-R449 VanDerWaalsContact CA-O 3.31Å; C444-R449 WeakPolarHBondContact CA-O 3.39Å; R447-R449 VanDerWaalsContact C-N 3.29Å |
| 450 | D | 91.1 | Very high | 89.7 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | trans | -86.8 | 147.1 | 173.6 | -63 | -37.1 | 0 | 0 | 0 | 110.8 | F452 | D450-F452 HydrophobicContact CB-CD2 4Å; D450-F452 HydrophobicContact CB-CE1 4.23Å; D450-F452 HydrophobicContact CB-CE2 3.41Å; D450-F452 VanDerWaalsContact CB-CE2 3.41Å; D450-F452 HydrophobicContact CB-CZ 3.53Å | ||
| 451 | L | 93.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -111.5 | 83.9 | 174.5 | -174.2 | 68.1 | 0 | 0 | 0 | 109.9 | V406 T409 V410 F440 C444 L480 L481 | V406-L451 HydrophobicContact CG1-CD2 3.75Å; T409-L451 HydrophobicContact CG2-CD1 3.95Å; T409-L451 HydrophobicContact CG2-CG 4.16Å; V410-L451 HydrophobicContact CG2-CD1 3.73Å; V410-L451 HydrophobicContact CG2-CD2 3.85Å; V410-L451 HydrophobicContact CG2-CG 4.48Å; F440-L451 HydrophobicContact CE1-CD1 4.01Å; C444-L451 HydrophobicContact CB-CB 4.18Å; L451-L480 PolarHBondContact O-N 2.98Å; L451-L481 HydrophobicContact CB-CD1 4.07Å; L451-L481 HydrophobicContact CB-CG 4.18Å; L451-L481 HydrophobicContact CD2-CD1 4.3Å; L451-L481 HydrophobicContact CD2-CG 4.18Å | ||
| 452 | F | 92.1 | Very high | 87.1 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 148.5 | 177.2 | -61.4 | -67.6 | 0 | 0 | 0 | 112.4 | T409 D450 C454 P458 P477 V478 D479 | T409-F452 VanDerWaalsContact CG2-O 3.26Å; T409-F452 WeakPolarHBondContact CG2-O 3.31Å; D450-F452 HydrophobicContact CB-CD2 4Å; D450-F452 HydrophobicContact CB-CE1 4.23Å; D450-F452 HydrophobicContact CB-CE2 3.41Å; D450-F452 VanDerWaalsContact CB-CE2 3.41Å; D450-F452 HydrophobicContact CB-CZ 3.53Å; F452-C454 PolarHBondContact O-N 3.43Å; F452-P458 HydrophobicContact CD1-CG 4.31Å; F452-P458 VanDerWaalsContact CD2-CD 3.45Å; F452-P458 HydrophobicContact CD2-CG 3.79Å; F452-P458 HydrophobicContact CE1-CG 4.32Å; F452-P458 HydrophobicContact CE2-CG 3.77Å; F452-P458 HydrophobicContact CG-CG 4.07Å; F452-P458 HydrophobicContact CZ-CG 4.06Å; F452-P477 HydrophobicContact CD1-CB 4.14Å; F452-P477 HydrophobicContact CE1-CB 4.19Å; F452-V478 CarbonylContact C-O 3.59Å; F452-V478 VanDerWaalsContact CA-O 3.3Å; F452-V478 WeakPolarHBondContact CA-O 3.35Å; F452-D479 HydrophobicContact CD1-CB 4.14Å; F452-D479 HydrophobicContact CE1-CB 4.11Å |
| 453 | H | 91.1 | Very high | 85.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | trans | -57.6 | 132.7 | 167.3 | -176.2 | -29.3 | 0 | 0 | 0 | 110 | T351 E355 Y405 V455 L456 G457 V478 L480 | T351-H453 PolarHBondContact OG1-CE1 3.47Å; T351-H453 PolarHBondContact OG1-NE2 3.39Å; E355-H453 IonicContact OE1-CE1 3.59Å; E355-H453 PolarHBondContact OE1-CE1 3.03Å; E355-H453 IonicContact OE1-NE2 3Å; Y405-H453 PolarHBondContact OH-CD2 3.09Å; Y405-H453 VanDerWaalsContact OH-CD2 3.26Å; Y405-H453 PolarHBondContact OH-CE1 2.87Å; Y405-H453 PolarHBondContact OH-ND1 3.42Å; Y405-H453 PolarHBondContact OH-NE2 3.45Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 PolarHBondContact ND1-N 3.17Å; H453-V455 VanDerWaalsContact ND1-N 3.16Å; H453-V455 PolarHBondContact O-N 3.24Å; H453-V455 VanDerWaalsContact O-N 3.13Å; H453-L456 HydrophobicContact CB-CB 4.14Å; H453-L456 PolarHBondContact O-N 3.04Å; H453-G457 WeakPolarHBondContact O-CA 3.23Å; H453-G457 PolarHBondContact O-N 2.86Å; H453-V478 HydrophobicContact CB-CB 4.16Å; H453-V478 HydrophobicContact CB-CG1 4.42Å; H453-V478 PolarHBondContact N-O 3.37Å; H453-L480 HydrophobicContact CB-CD2 4.07Å; H453-L480 HydrophobicContact CB-CG 4.47Å | ||
| 454 | C | 87.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.2 | -176.1 | -54.1 | 0 | 0 | 0 | 0 | 116 | L358 L412 F452 A461 | L358-C454 HydrophobicContact CD2-CB 4.02Å; L412-C454 WeakPolarHBondContact CB-SG 3.33Å; F452-C454 PolarHBondContact O-N 3.43Å; C454-A461 PolarHBondContact O-N 2.9Å; C454-A461 VanDerWaalsContact O-N 3.09Å |
| 455 | V | 87.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -39.6 | -177.6 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | T351 Q354 E355 H453 L468 | T351-V455 HydrophobicContact CG2-CB 4.36Å; T351-V455 HydrophobicContact CG2-CG1 4.22Å; Q354-V455 HydrophobicContact CB-CG1 4.33Å; Q354-V455 HydrophobicContact CB-CG2 3.9Å; Q354-V455 HydrophobicContact CG-CG1 4.49Å; E355-V455 HydrophobicContact CG-CG2 4.29Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 PolarHBondContact ND1-N 3.17Å; H453-V455 VanDerWaalsContact ND1-N 3.16Å; H453-V455 PolarHBondContact O-N 3.24Å; H453-V455 VanDerWaalsContact O-N 3.13Å; V455-L468 HydrophobicContact CG1-CD1 3.67Å; V455-L468 HydrophobicContact CG1-CD2 3.73Å; V455-L468 HydrophobicContact CG1-CG 4.33Å |
| 456 | L | 86.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 18 | -177.1 | -55.2 | 178.4 | 0 | 0 | 0 | 112.5 | V349 T351 H453 L472 P477 V478 | V349-L456 HydrophobicContact CB-CD1 4.37Å; V349-L456 HydrophobicContact CG1-CD1 4.27Å; T351-L456 HydrophobicContact CG2-CD1 4.49Å; T351-L456 HydrophobicContact CG2-CG 4.41Å; H453-L456 HydrophobicContact CB-CB 4.14Å; H453-L456 PolarHBondContact O-N 3.04Å; L456-L472 HydrophobicContact CD2-CB 4.12Å; L456-L472 HydrophobicContact CD2-CD2 3.88Å; L456-L472 HydrophobicContact CD2-CG 3.95Å; L456-P477 CarbonylContact O-C 3.52Å; L456-P477 VanDerWaalsContact O-CA 3.25Å; L456-P477 WeakPolarHBondContact O-CA 3.32Å; L456-V478 HydrophobicContact CB-CB 4.27Å; L456-V478 HydrophobicContact CB-CG2 4.02Å; L456-V478 HydrophobicContact CD1-CG2 4.23Å; L456-V478 PolarHBondContact O-N 3.23Å |
| 457 | G | 84.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 13% | 0.134 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -93.9 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H453 G459 G460 | H453-G457 WeakPolarHBondContact O-CA 3.23Å; H453-G457 PolarHBondContact O-N 2.86Å; G457-G459 PolarHBondContact O-N 2.77Å; G457-G460 PolarHBondContact O-N 2.83Å |
| 458 | P | 81.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 127.1 | 174.9 | -16 | 30.4 | 0 | 0 | 0 | 109.8 | F452 G460 P477 | F452-P458 HydrophobicContact CD1-CG 4.31Å; F452-P458 VanDerWaalsContact CD2-CD 3.45Å; F452-P458 HydrophobicContact CD2-CG 3.79Å; F452-P458 HydrophobicContact CE1-CG 4.32Å; F452-P458 HydrophobicContact CE2-CG 3.77Å; F452-P458 HydrophobicContact CG-CG 4.07Å; F452-P458 HydrophobicContact CZ-CG 4.06Å; P458-G460 PolarHBondContact O-N 3.34Å; P458-P477 HydrophobicContact CG-CB 3.81Å; P458-P477 HydrophobicContact CG-CG 3.95Å |
| 459 | G | 71.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 43 Ų | 43 | 91% | 0.907 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 30.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G457 | G457-G459 PolarHBondContact O-N 2.77Š|
| 460 | G | 68.3 | Low | 82.2 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | trans | -47.2 | 158.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G457 P458 A462 | G457-G460 PolarHBondContact O-N 2.83Å; P458-G460 PolarHBondContact O-N 3.34Å; G460-A462 PolarHBondContact O-N 3.23Å | ||
| 461 | A | 69.5 | Low | 81.9 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -67.5 | 38.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L358 C454 A463 E464 V465 | L358-A461 HydrophobicContact CD1-CB 4.13Å; L358-A461 HydrophobicContact CD2-CB 4.26Å; C454-A461 PolarHBondContact O-N 2.9Å; C454-A461 VanDerWaalsContact O-N 3.09Å; A461-A463 PolarHBondContact O-N 2.94Å; A461-E464 WeakPolarHBondContact CA-OE2 3.48Å; A461-E464 WeakPolarHBondContact CB-OE2 3.3Å; A461-E464 PolarHBondContact O-N 3.15Å; A461-V465 HydrophobicContact CB-CG2 4Å; A461-V465 WeakPolarHBondContact O-CB 3.29Å; A461-V465 WeakPolarHBondContact O-CG2 3.2Å; A461-V465 PolarHBondContact O-N 2.9Å |
| 462 | A | 67.6 | Low | 81.6 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -31.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | G460 E464 G466 | G460-A462 PolarHBondContact O-N 3.23Å; A462-E464 VanDerWaalsContact C-N 3.32Å; A462-G466 PolarHBondContact O-N 3.48Å |
| 463 | A | 72.3 | Confident | 81.3 | Confident | 94 Ų | 94 | 45.2 Ų | 45.2 | 78% | 0.777 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A461 | A461-A463 PolarHBondContact O-N 2.94Å |
| 464 | E | 79.4 | Confident | 81 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -88.3 | -26.8 | -176.4 | -59.5 | 71.5 | -158.5 | 0 | 0 | 112.1 | L358 W361 A461 A462 | L358-E464 HydrophobicContact CD1-CB 4.07Å; W361-E464 HydrophobicContact CD2-CB 4.3Å; W361-E464 HydrophobicContact CD2-CG 4.05Å; W361-E464 HydrophobicContact CE3-CG 4.3Å; W361-E464 HydrophobicContact CG-CB 4.4Å; W361-E464 HydrophobicContact CH2-CG 4.25Å; W361-E464 HydrophobicContact CZ2-CG 3.97Å; W361-E464 HydrophobicContact CZ3-CG 4.4Å; A461-E464 WeakPolarHBondContact CA-OE2 3.48Å; A461-E464 WeakPolarHBondContact CB-OE2 3.3Å; A461-E464 PolarHBondContact O-N 3.15Å; A462-E464 VanDerWaalsContact C-N 3.32Å |
| 465 | V | 79.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -109 | -16.9 | -166 | -177.9 | 0 | 0 | 0 | 0 | 113.6 | Q354 K357 L358 A461 | Q354-V465 VanDerWaalsContact C-CG1 3.5Å; Q354-V465 HydrophobicContact CB-CG1 3.24Å; Q354-V465 HydrophobicContact CG-CG1 3.53Å; Q354-V465 WeakPolarHBondContact O-CG1 3.41Å; K357-V465 HydrophobicContact CB-CG1 4.37Å; K357-V465 HydrophobicContact CD-CG1 4.38Å; K357-V465 WeakPolarHBondContact CD-O 3.4Å; K357-V465 PolarHBondContact NZ-O 3.06Å; L358-V465 HydrophobicContact CB-CG2 3.76Å; L358-V465 HydrophobicContact CD1-CG2 4.2Å; L358-V465 HydrophobicContact CG-CG2 4.44Å; A461-V465 HydrophobicContact CB-CG2 4Å; A461-V465 WeakPolarHBondContact O-CB 3.29Å; A461-V465 WeakPolarHBondContact O-CG2 3.2Å; A461-V465 PolarHBondContact O-N 2.9Å |
| 466 | G | 78.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | trans | 96.2 | -171.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A462 | A462-G466 PolarHBondContact O-N 3.48Š| ||
| 467 | P | 82.5 | Confident | 80.9 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | trans | -64 | 145.9 | -172.4 | 26.7 | -34.5 | 0 | 0 | 0 | 111.9 | D317 | D317-P467 VanDerWaalsContact CB-O 3.28Å; D317-P467 WeakPolarHBondContact CB-O 3.26Å | ||
| 468 | L | 85.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | trans | -116.5 | 147.2 | 174 | -66.9 | 173.5 | 0 | 0 | 0 | 110 | V319 Q354 V455 R473 | V319-L468 HydrophobicContact CG2-CD2 4.24Å; Q354-L468 HydrophobicContact CG-CD2 3.99Å; V455-L468 HydrophobicContact CG1-CD1 3.67Å; V455-L468 HydrophobicContact CG1-CD2 3.73Å; V455-L468 HydrophobicContact CG1-CG 4.33Å; L468-R473 HydrophobicContact CB-CG 3.83Å; L468-R473 PolarHBondContact O-NE 2.97Å | ||
| 469 | P | 87.8 | Confident | 81.5 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | trans | -54.8 | 145 | 174 | -25.1 | 34.5 | 0 | 0 | 0 | 111.4 | V319 A471 L472 R473 | V319-P469 HydrophobicContact CB-CG 4.16Å; V319-P469 HydrophobicContact CG2-CG 4.08Å; P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 2.79Å; P469-L472 HydrophobicContact CB-CD1 4.48Å; P469-L472 PolarHBondContact O-N 3.26Å; P469-R473 PolarHBondContact O-N 2.95Å; P469-R473 VanDerWaalsContact O-N 3.15Å | ||
| 470 | K | 87.8 | Confident | 82.5 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -50.2 | -46.3 | -177.2 | -175.9 | -179.8 | 175 | -177.1 | 0 | 112.6 | L472 R473 E474 | K470-L472 PolarHBondContact O-N 2.85Å; K470-L472 VanDerWaalsContact O-N 3.16Å; K470-R473 PolarHBondContact O-N 3.15Å; K470-R473 VanDerWaalsContact O-N 3.09Å; K470-E474 VanDerWaalsContact CE-CD 3.48Å; K470-E474 WeakPolarHBondContact CE-OE1 3.25Å; K470-E474 HydrophobicContact CG-CG 4.47Å; K470-E474 WeakPolarHBondContact CG-OE1 3.12Å; K470-E474 IonicContact NZ-OE1 2.71Å; K470-E474 PolarHBondContact O-N 3.41Å |
| 471 | A | 86 | Confident | 83.6 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -25.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | P190 P469 | P190-A471 HydrophobicContact CB-CB 4.26Å; P190-A471 HydrophobicContact CG-CB 3.74Å; P190-A471 WeakPolarHBondContact O-CB 3.49Å; P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 2.79Å |
| 472 | L | 86.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.7 | -36.5 | 175.4 | -88 | 65.8 | 0 | 0 | 0 | 111.6 | F207 L315 V319 V349 L456 P469 K470 E474 A475 | F207-L472 HydrophobicContact CE1-CD1 4.09Å; F207-L472 HydrophobicContact CZ-CD1 4.36Å; F207-L472 HydrophobicContact CZ-CG 4.44Å; L315-L472 HydrophobicContact CD1-CD1 4.21Å; V319-L472 HydrophobicContact CB-CD2 4.31Å; V319-L472 HydrophobicContact CG1-CD1 4.4Å; V319-L472 HydrophobicContact CG1-CD2 3.52Å; V319-L472 HydrophobicContact CG2-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CG 4.47Å; L456-L472 HydrophobicContact CD2-CB 4.12Å; L456-L472 HydrophobicContact CD2-CD2 3.88Å; L456-L472 HydrophobicContact CD2-CG 3.95Å; P469-L472 HydrophobicContact CB-CD1 4.48Å; P469-L472 PolarHBondContact O-N 3.26Å; K470-L472 PolarHBondContact O-N 2.85Å; K470-L472 VanDerWaalsContact O-N 3.16Å; L472-E474 PolarHBondContact O-N 3.34Å; L472-A475 WeakPolarHBondContact O-CB 3.32Å; L472-A475 PolarHBondContact O-N 3.49Å |
| 473 | R | 86.1 | Confident | 85.4 | Confident | 178 Ų | 178 | 49.5 Ų | 49.5 | 67% | 0.672 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.3 | -31.8 | 176.5 | -70.1 | -171.7 | -75.1 | 159.4 | 1.1 | 112.5 | L468 P469 K470 | L468-R473 HydrophobicContact CB-CG 3.83Å; L468-R473 PolarHBondContact O-NE 2.97Å; P469-R473 PolarHBondContact O-N 2.95Å; P469-R473 VanDerWaalsContact O-N 3.15Å; K470-R473 PolarHBondContact O-N 3.15Å; K470-R473 VanDerWaalsContact O-N 3.09Å |
| 474 | E | 85.8 | Confident | 86.2 | Confident | 134 Ų | 134 | 46.2 Ų | 46.2 | 63% | 0.626 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.8 | 178.5 | -65.4 | 172.6 | 171.1 | 0 | 0 | 113 | K470 L472 | K470-E474 VanDerWaalsContact CE-CD 3.48Å; K470-E474 WeakPolarHBondContact CE-OE1 3.25Å; K470-E474 HydrophobicContact CG-CG 4.47Å; K470-E474 WeakPolarHBondContact CG-OE1 3.12Å; K470-E474 IonicContact NZ-OE1 2.71Å; K470-E474 PolarHBondContact O-N 3.41Å; L472-E474 PolarHBondContact O-N 3.34Å |
| 475 | A | 85.9 | Confident | 86.6 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72.3 | 147.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F207 L472 | F207-A475 HydrophobicContact CE1-CB 4.35Å; F207-A475 HydrophobicContact CZ-CB 3.91Å; L472-A475 WeakPolarHBondContact O-CB 3.32Å; L472-A475 PolarHBondContact O-N 3.49Å |
| 476 | A | 86.2 | Confident | 87.2 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 147 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T195 V478 | T195-A476 HydrophobicContact CG2-CB 4.15Å; A476-V478 PolarHBondContact O-N 2.95Å |
| 477 | P | 87.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -58 | 136.6 | 178.4 | -26.3 | 34.6 | 0 | 0 | 0 | 113.5 | F452 L456 P458 | F452-P477 HydrophobicContact CD1-CB 4.14Å; F452-P477 HydrophobicContact CE1-CB 4.19Å; L456-P477 CarbonylContact O-C 3.52Å; L456-P477 VanDerWaalsContact O-CA 3.25Å; L456-P477 WeakPolarHBondContact O-CA 3.32Å; P458-P477 HydrophobicContact CG-CB 3.81Å; P458-P477 HydrophobicContact CG-CG 3.95Å |
| 478 | V | 88.4 | Confident | 88.3 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | trans | -97.2 | 108.8 | -176.8 | 177.5 | 0 | 0 | 0 | 0 | 111 | F452 H453 L456 A476 L480 | F452-V478 CarbonylContact C-O 3.59Å; F452-V478 VanDerWaalsContact CA-O 3.3Å; F452-V478 WeakPolarHBondContact CA-O 3.35Å; H453-V478 HydrophobicContact CB-CB 4.16Å; H453-V478 HydrophobicContact CB-CG1 4.42Å; H453-V478 PolarHBondContact N-O 3.37Å; L456-V478 HydrophobicContact CB-CB 4.27Å; L456-V478 HydrophobicContact CB-CG2 4.02Å; L456-V478 HydrophobicContact CD1-CG2 4.23Å; L456-V478 PolarHBondContact O-N 3.23Å; A476-V478 PolarHBondContact O-N 2.95Å; V478-L480 HydrophobicContact CG1-CD2 4.33Å | ||
| 479 | D | 90.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 121.7 | 165.5 | 172.8 | 18 | 0 | 0 | 0 | 110 | F452 L481 A482 | F452-D479 HydrophobicContact CD1-CB 4.14Å; F452-D479 HydrophobicContact CE1-CB 4.11Å; D479-L481 VanDerWaalsContact C-N 3.3Å; D479-L481 PolarHBondContact O-N 3.15Å; D479-L481 PolarHBondContact OD1-N 3.28Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 WeakPolarHBondContact OD2-CB 3.39Å; D479-A482 PolarHBondContact OD2-N 3.3Å; D479-A482 VanDerWaalsContact OD2-N 3.09Å |
| 480 | L | 90.9 | Very high | 89.1 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -72 | -25.2 | -178.1 | -62.8 | -175.3 | 0 | 0 | 0 | 113.1 | Y405 V406 T409 L451 H453 V478 P483 | Y405-L480 HydrophobicContact CD1-CD1 4.03Å; Y405-L480 HydrophobicContact CD1-CD2 4.4Å; Y405-L480 HydrophobicContact CE1-CD1 3.71Å; Y405-L480 HydrophobicContact CE1-CD2 3.76Å; Y405-L480 HydrophobicContact CE1-CG 4.42Å; V406-L480 HydrophobicContact CG2-CB 4.47Å; T409-L480 HydrophobicContact CG2-CD1 3.61Å; T409-L480 WeakPolarHBondContact OG1-CD1 3.46Å; L451-L480 PolarHBondContact O-N 2.98Å; H453-L480 HydrophobicContact CB-CD2 4.07Å; H453-L480 HydrophobicContact CB-CG 4.47Å; V478-L480 HydrophobicContact CG1-CD2 4.33Å; L480-P483 WeakPolarHBondContact O-CD 3.45Å |
| 481 | L | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.7 | -24.5 | -178.5 | -63.7 | 179.7 | 0 | 0 | 0 | 111.6 | V406 C444 L445 L451 D479 P483 F484 R489 | V406-L481 HydrophobicContact CG1-CD2 4.33Å; V406-L481 HydrophobicContact CG2-CD2 4.5Å; C444-L481 HydrophobicContact CB-CD1 3.71Å; L445-L481 HydrophobicContact CD2-CD1 4.34Å; L445-L481 HydrophobicContact CD2-CD2 4.43Å; L451-L481 HydrophobicContact CB-CD1 4.07Å; L451-L481 HydrophobicContact CB-CG 4.18Å; L451-L481 HydrophobicContact CD2-CD1 4.3Å; L451-L481 HydrophobicContact CD2-CG 4.18Å; D479-L481 VanDerWaalsContact C-N 3.3Å; D479-L481 PolarHBondContact O-N 3.15Å; D479-L481 PolarHBondContact OD1-N 3.28Å; L481-P483 VanDerWaalsContact C-N 3.25Å; L481-P483 WeakPolarHBondContact O-CD 3.37Å; L481-F484 HydrophobicContact CD2-CD2 4.39Å; L481-F484 WeakPolarHBondContact O-CD2 3.29Å; L481-F484 PolarHBondContact O-N 3.47Å; L481-R489 VanDerWaalsContact CB-NH1 3.3Å; L481-R489 PolarHBondContact O-NE 3.37Å; L481-R489 PolarHBondContact O-NH2 3.41Å |
| 482 | A | 88 | Confident | 89.8 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.6 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | P201 D479 F484 R489 | P201-A482 HydrophobicContact CB-CB 4.36Å; P201-A482 WeakPolarHBondContact CB-O 3.21Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 WeakPolarHBondContact OD2-CB 3.39Å; D479-A482 PolarHBondContact OD2-N 3.3Å; D479-A482 VanDerWaalsContact OD2-N 3.09Å; A482-F484 VanDerWaalsContact C-N 3.25Å; A482-F484 PolarHBondContact O-N 2.88Å; A482-R489 VanDerWaalsContact CA-NH2 3.25Å; A482-R489 PolarHBondContact O-NH2 3.29Å |
| 483 | P | 86.4 | Confident | 90.3 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.6 | 179.4 | -23.5 | 35.9 | 0 | 0 | 0 | 115.5 | A202 P328 L480 L481 | A202-P483 HydrophobicContact CB-CB 3.97Å; P328-P483 HydrophobicContact CG-CB 4.38Å; P328-P483 WeakPolarHBondContact CG-O 3.25Å; L480-P483 WeakPolarHBondContact O-CD 3.45Å; L481-P483 VanDerWaalsContact C-N 3.25Å; L481-P483 WeakPolarHBondContact O-CD 3.37Å |
| 484 | F | 88.9 | Confident | 90.8 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -92 | 139.8 | -176.4 | -57.2 | -78.3 | 0 | 0 | 0 | 111.4 | P328 R400 I401 L481 A482 R489 | P328-F484 HydrophobicContact CB-CD1 4Å; P328-F484 HydrophobicContact CB-CE1 3.97Å; P328-F484 HydrophobicContact CG-CD1 4.25Å; P328-F484 HydrophobicContact CG-CE1 4.4Å; R400-F484 HydrophobicContact CB-CE1 4.02Å; R400-F484 HydrophobicContact CB-CZ 4.31Å; I401-F484 HydrophobicContact CD1-CD1 4.33Å; I401-F484 HydrophobicContact CG1-CB 4.43Å; I401-F484 HydrophobicContact CG1-CD1 3.47Å; I401-F484 VanDerWaalsContact CG1-CD1 3.47Å; I401-F484 HydrophobicContact CG1-CD2 4.35Å; I401-F484 HydrophobicContact CG1-CE1 3.69Å; I401-F484 HydrophobicContact CG1-CG 3.83Å; I401-F484 HydrophobicContact CG1-CZ 4.24Å; L481-F484 HydrophobicContact CD2-CD2 4.39Å; L481-F484 WeakPolarHBondContact O-CD2 3.29Å; L481-F484 PolarHBondContact O-N 3.47Å; A482-F484 VanDerWaalsContact C-N 3.25Å; A482-F484 PolarHBondContact O-N 2.88Å; F484-R489 HydrophobicContact CB-CG 4.02Å; F484-R489 VanDerWaalsContact O-CZ 3.29Å; F484-R489 PolarHBondContact O-NE 3.28Å; F484-R489 PolarHBondContact O-NH2 3.27Å |
| 485 | D | 89 | Confident | 91.2 | Very high | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | trans | -63.4 | 151.7 | 174.2 | 65.2 | -78.1 | 0 | 0 | 0 | 111.5 | H487 A488 R489 | D485-H487 PolarHBondContact O-N 3.15Å; D485-A488 VanDerWaalsContact CG-CB 3.45Å; D485-A488 WeakPolarHBondContact OD1-CB 3.37Å; D485-A488 WeakPolarHBondContact OD2-CB 3.44Å; D485-A488 PolarHBondContact OD2-N 2.91Å; D485-R489 WeakPolarHBondContact O-CG 3.47Å; D485-R489 PolarHBondContact O-N 3.12Å | ||
| 486 | L | 90.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 31% | 0.314 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -42.8 | -175 | 178.5 | 58.2 | 0 | 0 | 0 | 111.6 | R447 A488 R489 E490 | R447-L486 HydrophobicContact CG-CD1 3.99Å; L486-A488 PolarHBondContact O-N 3.01Å; L486-R489 WeakPolarHBondContact O-CB 3.31Å; L486-R489 PolarHBondContact O-N 3.08Å; L486-R489 VanDerWaalsContact O-N 3.08Å; L486-E490 HydrophobicContact CD1-CG 4.15Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 WeakPolarHBondContact O-CG 3.37Å; L486-E490 PolarHBondContact O-N 2.77Å |
| 487 | H | 92.5 | Very high | 92.2 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.1 | -45 | -177.9 | -176.7 | 64.9 | 0 | 0 | 0 | 112.1 | D485 R489 E490 L491 | D485-H487 PolarHBondContact O-N 3.15Å; H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 PolarHBondContact O-N 2.86Å; H487-E490 PolarHBondContact O-N 2.87Å; H487-L491 WeakPolarHBondContact O-CG 3.44Å; H487-L491 PolarHBondContact O-N 3.23Å |
| 488 | A | 91.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I401 D485 L486 A492 | I401-A488 HydrophobicContact CD1-CB 3.98Å; D485-A488 VanDerWaalsContact CG-CB 3.45Å; D485-A488 WeakPolarHBondContact OD1-CB 3.37Å; D485-A488 WeakPolarHBondContact OD2-CB 3.44Å; D485-A488 PolarHBondContact OD2-N 2.91Å; L486-A488 PolarHBondContact O-N 3.01Å; A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.46Å; A488-A492 PolarHBondContact O-N 2.77Å |
| 489 | R | 94.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 174.1 | -64.3 | -177.4 | -150.5 | -173.1 | 12.5 | 111.4 | L445 L481 A482 F484 D485 L486 H487 A492 A493 | L445-R489 HydrophobicContact CB-CB 4.42Å; L445-R489 HydrophobicContact CD2-CB 4.22Å; L445-R489 HydrophobicContact CD2-CG 4.41Å; L445-R489 VanDerWaalsContact O-CB 3.29Å; L445-R489 WeakPolarHBondContact O-CB 3.44Å; L481-R489 VanDerWaalsContact CB-NH1 3.3Å; L481-R489 PolarHBondContact O-NE 3.37Å; L481-R489 PolarHBondContact O-NH2 3.41Å; A482-R489 VanDerWaalsContact CA-NH2 3.25Å; A482-R489 PolarHBondContact O-NH2 3.29Å; F484-R489 HydrophobicContact CB-CG 4.02Å; F484-R489 VanDerWaalsContact O-CZ 3.29Å; F484-R489 PolarHBondContact O-NE 3.28Å; F484-R489 PolarHBondContact O-NH2 3.27Å; D485-R489 WeakPolarHBondContact O-CG 3.47Å; D485-R489 PolarHBondContact O-N 3.12Å; L486-R489 WeakPolarHBondContact O-CB 3.31Å; L486-R489 PolarHBondContact O-N 3.08Å; L486-R489 VanDerWaalsContact O-N 3.08Å; H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 PolarHBondContact O-N 2.86Å; R489-A492 WeakPolarHBondContact O-CB 3.14Å; R489-A492 PolarHBondContact O-N 3.26Å; R489-A493 WeakPolarHBondContact O-CB 3.31Å; R489-A493 PolarHBondContact O-N 3.17Å |
| 490 | E | 95.4 | Very high | 93 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 177.1 | -72.3 | 172 | 164.7 | 0 | 0 | 111.6 | L446 L486 H487 A492 A493 A494 | L446-E490 HydrophobicContact CD2-CG 4.15Å; L486-E490 HydrophobicContact CD1-CG 4.15Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 WeakPolarHBondContact O-CG 3.37Å; L486-E490 PolarHBondContact O-N 2.77Å; H487-E490 PolarHBondContact O-N 2.87Å; E490-A492 VanDerWaalsContact C-N 3.29Å; E490-A492 PolarHBondContact O-N 2.97Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.98Å; E490-A493 VanDerWaalsContact O-N 3.11Å; E490-A494 WeakPolarHBondContact O-CB 3.36Å; E490-A494 PolarHBondContact O-N 3.36Å |
| 491 | L | 94.5 | Very high | 93.1 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 172.5 | -72.5 | 174.7 | 0 | 0 | 0 | 111.5 | H487 A494 R495 | H487-L491 WeakPolarHBondContact O-CG 3.44Å; H487-L491 PolarHBondContact O-N 3.23Å; L491-A494 PolarHBondContact O-N 3.17Å; L491-R495 VanDerWaalsContact O-CB 3.31Å; L491-R495 WeakPolarHBondContact O-CB 3.48Å; L491-R495 PolarHBondContact O-N 3.29Å |
| 492 | A | 95.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W398 I401 L445 A488 R489 E490 L496 | W398-A492 HydrophobicContact CE3-CB 4.15Å; W398-A492 HydrophobicContact CZ3-CB 4.08Å; W398-A492 WeakPolarHBondContact CZ3-O 2.85Å; I401-A492 HydrophobicContact CD1-CB 4.3Å; I401-A492 HydrophobicContact CG2-CB 4.16Å; L445-A492 HydrophobicContact CD1-CB 4.35Å; L445-A492 HydrophobicContact CD2-CB 4.45Å; A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.46Å; A488-A492 PolarHBondContact O-N 2.77Å; R489-A492 WeakPolarHBondContact O-CB 3.14Å; R489-A492 PolarHBondContact O-N 3.26Å; E490-A492 VanDerWaalsContact C-N 3.29Å; E490-A492 PolarHBondContact O-N 2.97Å; A492-L496 VanDerWaalsContact O-CB 3.25Å; A492-L496 WeakPolarHBondContact O-CB 3.48Å; A492-L496 PolarHBondContact O-N 3.25Å |
| 493 | A | 96.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L445 L446 R489 E490 R495 L496 L497 | L445-A493 HydrophobicContact CB-CB 3.84Å; L445-A493 HydrophobicContact CD1-CB 4.09Å; L446-A493 HydrophobicContact CD2-CB 3.8Å; L446-A493 HydrophobicContact CG-CB 4.03Å; R489-A493 WeakPolarHBondContact O-CB 3.31Å; R489-A493 PolarHBondContact O-N 3.17Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.98Å; E490-A493 VanDerWaalsContact O-N 3.11Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.06Å; A493-L496 PolarHBondContact O-N 2.95Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.47Å |
| 494 | A | 95.7 | Very high | 93.6 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E490 L491 L497 S498 | E490-A494 WeakPolarHBondContact O-CB 3.36Å; E490-A494 PolarHBondContact O-N 3.36Å; L491-A494 PolarHBondContact O-N 3.17Å; A494-L497 PolarHBondContact O-N 3.4Å; A494-S498 WeakPolarHBondContact O-CB 3.24Å; A494-S498 PolarHBondContact O-N 3.23Å |
| 495 | R | 95.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 58.2 Ų | 58.2 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.8 | -172.1 | 172.7 | -171.4 | 95.7 | 0.7 | 112.3 | G386 R388 L390 W398 L491 A493 L497 S498 I499 | G386-R495 VanDerWaalsContact O-CZ 3.24Å; G386-R495 PolarHBondContact O-NE 3.4Å; G386-R495 PolarHBondContact O-NH2 3.5Å; R388-R495 PolarHBondContact O-NH2 2.88Å; R388-R495 VanDerWaalsContact O-NH2 3.08Å; L390-R495 VanDerWaalsContact CD2-NH1 3.31Å; W398-R495 HydrophobicContact CH2-CB 4.16Å; W398-R495 HydrophobicContact CH2-CG 4.03Å; W398-R495 HydrophobicContact CZ3-CB 3.74Å; W398-R495 HydrophobicContact CZ3-CG 3.9Å; L491-R495 VanDerWaalsContact O-CB 3.31Å; L491-R495 WeakPolarHBondContact O-CB 3.48Å; L491-R495 PolarHBondContact O-N 3.29Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.06Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 2.95Å; R495-S498 WeakPolarHBondContact O-CB 3.33Å; R495-S498 PolarHBondContact O-N 2.91Å; R495-I499 HydrophobicContact CG-CD1 4.04Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.18Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.15Å; R495-I499 PolarHBondContact O-N 3.41Å |
| 496 | L | 96.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 174.3 | 178.5 | 65.8 | 0 | 0 | 0 | 111.3 | W398 V438 L441 L445 A492 A493 I499 W500 | W398-L496 HydrophobicContact CH2-CB 4.24Å; V438-L496 HydrophobicContact CG1-CD1 4.48Å; V438-L496 HydrophobicContact CG1-CD2 4.22Å; V438-L496 HydrophobicContact CG1-CG 4.11Å; L441-L496 HydrophobicContact CB-CD2 4.25Å; L441-L496 HydrophobicContact CD2-CD2 3.58Å; L441-L496 HydrophobicContact CG-CD2 3.76Å; L445-L496 HydrophobicContact CD1-CD2 4.32Å; A492-L496 VanDerWaalsContact O-CB 3.25Å; A492-L496 WeakPolarHBondContact O-CB 3.48Å; A492-L496 PolarHBondContact O-N 3.25Å; A493-L496 PolarHBondContact O-N 2.95Å; L496-I499 PolarHBondContact O-N 3.37Å; L496-W500 WeakPolarHBondContact O-CB 3.41Å; L496-W500 PolarHBondContact O-N 2.89Å |
| 497 | L | 95.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.7 | -74.2 | 176.4 | 0 | 0 | 0 | 112.8 | R442 A493 A494 R495 I499 W500 R501 | R442-L497 HydrophobicContact CG-CD1 4.14Å; R442-L497 HydrophobicContact CG-CD2 4.46Å; R442-L497 HydrophobicContact CG-CG 4.36Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.47Å; A494-L497 PolarHBondContact O-N 3.4Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 2.95Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.96Å; L497-W500 PolarHBondContact O-N 3.3Å; L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 WeakPolarHBondContact O-CG 3.31Å; L497-R501 PolarHBondContact O-N 3.43Å |
| 498 | S | 94.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | A494 R495 R501 R502 | A494-S498 WeakPolarHBondContact O-CB 3.24Å; A494-S498 PolarHBondContact O-N 3.23Å; R495-S498 WeakPolarHBondContact O-CB 3.33Å; R495-S498 PolarHBondContact O-N 2.91Å; S498-R501 PolarHBondContact O-N 2.98Å; S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 3.39Å |
| 499 | I | 94.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.4 | -64.9 | 154.6 | 0 | 0 | 0 | 110.7 | L382 W398 R495 L496 L497 R502 L503 L506 | L382-I499 HydrophobicContact CD2-CG2 4.48Å; W398-I499 HydrophobicContact CH2-CD1 3.83Å; W398-I499 HydrophobicContact CZ2-CD1 3.81Å; R495-I499 HydrophobicContact CG-CD1 4.04Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.18Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.15Å; R495-I499 PolarHBondContact O-N 3.41Å; L496-I499 PolarHBondContact O-N 3.37Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.96Å; I499-R502 CarbonylContact O-C 3.42Å; I499-R502 PolarHBondContact O-N 3.28Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 PolarHBondContact O-N 3.5Å; I499-L506 HydrophobicContact CG2-CD1 3.95Å |
| 500 | W | 94.8 | Very high | 92.5 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 179.2 | -174.2 | -104.1 | 0 | 0 | 0 | 112.2 | L382 L434 E435 V438 L496 L497 R502 L503 | L382-W500 HydrophobicContact CD1-CE3 4.06Å; L382-W500 HydrophobicContact CD1-CZ3 4.04Å; L434-W500 HydrophobicContact CB-CH2 4.04Å; L434-W500 HydrophobicContact CB-CZ3 4.35Å; L434-W500 HydrophobicContact CD2-CH2 4.02Å; L434-W500 HydrophobicContact CD2-CZ3 3.68Å; L434-W500 HydrophobicContact CG-CH2 3.84Å; L434-W500 HydrophobicContact CG-CZ3 3.63Å; E435-W500 HydrophobicContact CB-CH2 4.08Å; E435-W500 HydrophobicContact CB-CZ2 3.49Å; E435-W500 VanDerWaalsContact CB-CZ2 3.49Å; E435-W500 HydrophobicContact CG-CZ2 3.68Å; V438-W500 HydrophobicContact CB-CD2 4.39Å; V438-W500 HydrophobicContact CB-CE3 4.3Å; V438-W500 HydrophobicContact CG1-CB 4.23Å; V438-W500 HydrophobicContact CG1-CD2 4.13Å; V438-W500 HydrophobicContact CG1-CE3 4.32Å; V438-W500 HydrophobicContact CG1-CG 4.08Å; V438-W500 HydrophobicContact CG2-CD2 4.28Å; V438-W500 HydrophobicContact CG2-CE3 3.7Å; V438-W500 HydrophobicContact CG2-CZ3 3.9Å; L496-W500 WeakPolarHBondContact O-CB 3.41Å; L496-W500 PolarHBondContact O-N 2.89Å; L497-W500 PolarHBondContact O-N 3.3Å; W500-R502 VanDerWaalsContact C-N 3.27Å; W500-R502 PolarHBondContact O-N 2.97Å; W500-L503 HydrophobicContact CE3-CD2 3.77Å; W500-L503 HydrophobicContact CH2-CD2 4.25Å; W500-L503 HydrophobicContact CZ3-CD2 3.61Å; W500-L503 WeakPolarHBondContact O-CB 3.29Å; W500-L503 PolarHBondContact O-N 2.92Å |
| 501 | R | 93.9 | Very high | 91.1 | Very high | 197 Ų | 197 | 55.8 Ų | 55.8 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.6 | -36 | 176.8 | -72.5 | 175.1 | 179.6 | 174.2 | 0.2 | 112.4 | L497 S498 L503 | L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 WeakPolarHBondContact O-CG 3.31Å; L497-R501 PolarHBondContact O-N 3.43Å; S498-R501 PolarHBondContact O-N 2.98Å; R501-L503 VanDerWaalsContact C-N 3.33Å |
| 502 | R | 93.1 | Very high | 89.5 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 11.3 | 179.6 | -68.3 | 169.9 | 43.5 | -174 | -7.3 | 113.7 | S498 I499 W500 Q505 L506 | S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 3.39Å; I499-R502 CarbonylContact O-C 3.42Å; I499-R502 PolarHBondContact O-N 3.28Å; W500-R502 VanDerWaalsContact C-N 3.27Å; W500-R502 PolarHBondContact O-N 2.97Å; R502-Q505 PolarHBondContact O-N 3.11Å; R502-Q505 PolarHBondContact O-OE1 2.84Å; R502-L506 HydrophobicContact CB-CD1 4.23Å; R502-L506 HydrophobicContact CB-CG 4.37Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.43Å; R502-L506 PolarHBondContact O-N 3.22Å |
| 503 | L | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | -169.5 | -179.3 | 57.3 | 0 | 0 | 0 | 112.7 | L97 L101 L382 I499 W500 R501 Q505 L506 L507 | L97-L503 HydrophobicContact CD1-CD2 4.08Å; L97-L503 HydrophobicContact CD1-CG 4.08Å; L101-L503 HydrophobicContact CD2-CD2 4.23Å; L382-L503 HydrophobicContact CD2-CD1 3.29Å; L382-L503 HydrophobicContact CD2-CD2 4.29Å; L382-L503 HydrophobicContact CD2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 PolarHBondContact O-N 3.5Å; W500-L503 HydrophobicContact CE3-CD2 3.77Å; W500-L503 HydrophobicContact CH2-CD2 4.25Å; W500-L503 HydrophobicContact CZ3-CD2 3.61Å; W500-L503 WeakPolarHBondContact O-CB 3.29Å; W500-L503 PolarHBondContact O-N 2.92Å; R501-L503 VanDerWaalsContact C-N 3.33Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.85Å; L503-L506 PolarHBondContact O-N 2.9Å; L503-L506 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD1-CD1 3.93Å; L503-L507 HydrophobicContact CD1-CD2 3.83Å; L503-L507 HydrophobicContact CD1-CG 3.65Å; L503-L507 HydrophobicContact CG-CD1 3.88Å; L503-L507 HydrophobicContact CG-CG 4.08Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 2.95Å; L503-L507 PolarHBondContact O-N 3.41Å |
| 504 | P | 90.6 | Very high | 85.1 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 178.4 | -23.5 | 32.3 | 0 | 0 | 0 | 113 | L97 L100 R508 | L97-P504 HydrophobicContact CD1-CG 4.22Å; L100-P504 HydrophobicContact CD1-CB 4.13Å; P504-R508 VanDerWaalsContact O-CG 3.27Å; P504-R508 WeakPolarHBondContact O-CG 3.38Å; P504-R508 PolarHBondContact O-N 3.08Å; P504-R508 VanDerWaalsContact O-N 3.1Å |
| 505 | Q | 90.5 | Very high | 82.4 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.3 | -58.6 | 84.8 | -6.6 | 0 | 0 | 111.4 | R502 L503 R508 A509 | R502-Q505 PolarHBondContact O-N 3.11Å; R502-Q505 PolarHBondContact O-OE1 2.84Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.85Å; Q505-R508 PolarHBondContact O-N 3.25Å; Q505-A509 WeakPolarHBondContact O-CB 3.44Å; Q505-A509 PolarHBondContact O-N 3.48Å |
| 506 | L | 90.4 | Very high | 79.7 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.5 | -68.6 | 172.4 | 0 | 0 | 0 | 111.7 | I499 R502 L503 R508 A509 Y510 | I499-L506 HydrophobicContact CG2-CD1 3.95Å; R502-L506 HydrophobicContact CB-CD1 4.23Å; R502-L506 HydrophobicContact CB-CG 4.37Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.43Å; R502-L506 PolarHBondContact O-N 3.22Å; L503-L506 PolarHBondContact O-N 2.9Å; L503-L506 VanDerWaalsContact O-N 3.12Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 3.41Å; L506-A509 PolarHBondContact O-N 2.64Å; L506-Y510 HydrophobicContact CB-CD2 4.44Å; L506-Y510 HydrophobicContact CD2-CD2 4.24Å; L506-Y510 HydrophobicContact CD2-CE2 3.8Å; L506-Y510 WeakPolarHBondContact O-CB 3.41Å; L506-Y510 WeakPolarHBondContact O-CD2 3.48Å; L506-Y510 PolarHBondContact O-N 2.94Å |
| 507 | L | 90.2 | Very high | 76.9 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 177.5 | -63.5 | 179.3 | 0 | 0 | 0 | 111.8 | L97 L100 L101 Y104 L503 G511 | L97-L507 HydrophobicContact CD1-CD1 3.99Å; L100-L507 HydrophobicContact CB-CB 4.18Å; L100-L507 HydrophobicContact CB-CD1 3.86Å; L101-L507 HydrophobicContact CD2-CD1 3.69Å; L101-L507 HydrophobicContact CG-CD1 3.9Å; Y104-L507 HydrophobicContact CD1-CD2 3.49Å; Y104-L507 VanDerWaalsContact CD1-CD2 3.49Å; Y104-L507 HydrophobicContact CD2-CD2 4.08Å; Y104-L507 HydrophobicContact CE1-CD2 4.03Å; Y104-L507 HydrophobicContact CG-CD2 3.51Å; L503-L507 HydrophobicContact CD1-CD1 3.93Å; L503-L507 HydrophobicContact CD1-CD2 3.83Å; L503-L507 HydrophobicContact CD1-CG 3.65Å; L503-L507 HydrophobicContact CG-CD1 3.88Å; L503-L507 HydrophobicContact CG-CG 4.08Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 2.95Å; L503-L507 PolarHBondContact O-N 3.41Å; L507-G511 WeakPolarHBondContact O-CA 3.43Å; L507-G511 PolarHBondContact O-N 3.28Å |
| 508 | R | 86.6 | Confident | 74.1 | Confident | 100 Ų | 100 | 83.9 Ų | 83.9 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 174.1 | -69.3 | 169.7 | -163.7 | 159.1 | -1 | 111.9 | E94 L100 P504 Q505 L506 | E94-R508 IonicContact OE2-CZ 2.82Å; E94-R508 IonicContact OE2-NH1 3.7Å; E94-R508 IonicContact OE2-NH2 2.96Å; E94-R508 PolarHBondContact OE2-NH2 2.76Å; L100-R508 HydrophobicContact CD1-CG 4.25Å; L100-R508 HydrophobicContact CD2-CG 3.98Å; P504-R508 VanDerWaalsContact O-CG 3.27Å; P504-R508 WeakPolarHBondContact O-CG 3.38Å; P504-R508 PolarHBondContact O-N 3.08Å; P504-R508 VanDerWaalsContact O-N 3.1Å; Q505-R508 PolarHBondContact O-N 3.25Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 3.41Å |
| 509 | A | 85.3 | Confident | 71 | Confident | 73 Ų | 73 | 87 Ų | 87 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.1 | -35 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q505 L506 | Q505-A509 WeakPolarHBondContact O-CB 3.44Å; Q505-A509 PolarHBondContact O-N 3.48Å; L506-A509 PolarHBondContact O-N 2.64Å |
| 510 | Y | 80.3 | Confident | 68.1 | Low | 101 Ų | 101 | 92.1 Ų | 92.1 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -115.9 | -11.3 | -170.7 | -62 | -65.9 | 0 | 0 | 0 | 115.1 | L385 L506 | L385-Y510 HydrophobicContact CD2-CD2 3.83Å; L385-Y510 HydrophobicContact CD2-CE2 4.48Å; L385-Y510 HydrophobicContact CD2-CG 4.05Å; L506-Y510 HydrophobicContact CB-CD2 4.44Å; L506-Y510 HydrophobicContact CD2-CD2 4.24Å; L506-Y510 HydrophobicContact CD2-CE2 3.8Å; L506-Y510 WeakPolarHBondContact O-CB 3.41Å; L506-Y510 WeakPolarHBondContact O-CD2 3.48Å; L506-Y510 PolarHBondContact O-N 2.94Å |
| 511 | G | 67.8 | Low | 65.2 | Low | 6 Ų | 6 | 96.1 Ų | 96.1 | 6% | 0.062 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -105.7 | 7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L507 | L507-G511 WeakPolarHBondContact O-CA 3.43Å; L507-G511 PolarHBondContact O-N 3.28Å |
| 512 | G | 60 | Low | 62.3 | Low | 32 Ų | 32 | 92.9 Ų | 92.9 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -63.6 | 134 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | R514 | G512-R514 PolarHBondContact O-N 3.05Š|
| 513 | P | 50.6 | Low | 59.5 | Low | 30 Ų | 30 | 98.1 Ų | 98.1 | 20% | 0.195 | 50% | 0.504 | C | S | . | . | trans | -56.7 | 132.3 | 170.9 | -16.4 | 26 | 0 | 0 | 0 | 109.6 | Y515 L516 | P513-Y515 HydrophobicContact CB-CD1 4.42Å; P513-Y515 HydrophobicContact CB-CD2 3.41Å; P513-Y515 VanDerWaalsContact CB-CD2 3.41Å; P513-Y515 HydrophobicContact CB-CE1 4.06Å; P513-Y515 HydrophobicContact CB-CE2 2.98Å; P513-Y515 HydrophobicContact CB-CG 4.11Å; P513-Y515 HydrophobicContact CG-CD2 4.39Å; P513-Y515 HydrophobicContact CG-CE2 3.87Å; P513-Y515 PolarHBondContact O-N 2.98Å; P513-L516 PolarHBondContact O-N 2.97Å | ||
| 514 | R | 49.4 | Very low | 57 | Low | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -7.6 | -173.4 | -64 | -177 | -173.7 | -173.8 | -0.9 | 114.9 | E108 G512 | E108-R514 IonicContact OE1-CZ 2.88Å; E108-R514 IonicContact OE1-NE 3.77Å; E108-R514 PolarHBondContact OE1-NE 3.2Å; E108-R514 IonicContact OE1-NH2 3.97Å; E108-R514 PolarHBondContact OE1-NH2 3.02Å; E108-R514 IonicContact OE2-NH2 3.64Å; E108-R514 PolarHBondContact OE2-NH2 3.43Å; G512-R514 PolarHBondContact O-N 3.05Å |
| 515 | Y | 38.1 | Very low | 54.3 | Low | 183 Ų | 183 | 110.8 Ų | 110.8 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -11.9 | 172.6 | 11.7 | -76.4 | 0 | 0 | 0 | 114.2 | P513 | P513-Y515 HydrophobicContact CB-CD1 4.42Å; P513-Y515 HydrophobicContact CB-CD2 3.41Å; P513-Y515 VanDerWaalsContact CB-CD2 3.41Å; P513-Y515 HydrophobicContact CB-CE1 4.06Å; P513-Y515 HydrophobicContact CB-CE2 2.98Å; P513-Y515 HydrophobicContact CB-CG 4.11Å; P513-Y515 HydrophobicContact CG-CD2 4.39Å; P513-Y515 HydrophobicContact CG-CE2 3.87Å; P513-Y515 PolarHBondContact O-N 2.98Å |
| 516 | L | 39.4 | Very low | 51.5 | Low | 142 Ų | 142 | 116.6 Ų | 116.6 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -95.9 | -4.7 | 172.5 | -67.1 | 175.3 | 0 | 0 | 0 | 113.4 | P513 R518 | P513-L516 PolarHBondContact O-N 2.97Å; L516-R518 PolarHBondContact O-N 2.96Å |
| 517 | A | 37.5 | Very low | 49.1 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | trans | -95.1 | 64.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 518 | R | 36.2 | Very low | 46.3 | Very low | 249 Ų | 249 | 132.4 Ų | 132.4 | 94% | 0.94 | 67% | 0.666 | S | S | * | * | trans | -126.5 | 67 | 150.1 | -90.6 | -167.6 | -174.5 | -179.1 | 2.9 | 108.7 | L516 | L516-R518 PolarHBondContact O-N 2.96Š| ||
| 519 | C | 29.2 | Very low | 43.5 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -113.8 | 137.2 | 147.9 | -78.9 | 0 | 0 | 0 | 0 | 107.1 | ||
| 520 | P | 33.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -64.5 | 144.8 | -171.3 | 29.2 | -35.5 | 0 | 0 | 0 | 110.4 | ||||
| 521 | T | 35.6 | Very low | 38.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | -45.8 | 129.5 | 167.5 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | R523 | T521-R523 PolarHBondContact O-N 3.26Å; T521-R523 VanDerWaalsContact O-N 3.15Å | ||
| 522 | P | 32.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 116.8 | 168 | 11.9 | -4 | 0 | 0 | 0 | 108.5 | ||||
| 523 | R | 33.3 | Very low | 36.3 | Very low | 239 Ų | 239 | 151.6 Ų | 151.6 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -57.9 | 132.4 | 161.8 | -79.2 | 176.8 | 167.2 | 169.1 | -5.1 | 108.8 | T521 | T521-R523 PolarHBondContact O-N 3.26Å; T521-R523 VanDerWaalsContact O-N 3.15Å | ||
| 524 | S | 40.2 | Very low | 35.3 | Very low | 109 Ų | 109 | 158.9 Ų | 158.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 37.8 | 98.8 | 148.2 | 175.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 525 | Q | 33 | Very low | 34.7 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -132.1 | 95.7 | 146.1 | -71.9 | -177.6 | -11.1 | 0 | 0 | 105.7 | ||||
| 526 | R | 32.5 | Very low | 34.5 | Very low | 228 Ų | 228 | 159.2 Ų | 159.2 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | 45.5 | 99.3 | 93.4 | -127.8 | -176.2 | -157.5 | -179.2 | 4.6 | 112.1 | |||||
| 527 | I | 39.7 | Very low | 34.2 | Very low | 165 Ų | 165 | 160.1 Ų | 160.1 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | trans | 26.5 | 99.3 | 149.7 | -49.2 | 174.6 | 0 | 0 | 0 | 114.6 | ||||
| 528 | Q | 30.6 | Very low | 34.1 | Very low | 192 Ų | 192 | 164.6 Ų | 164.6 | 90% | 0.897 | 86% | 0.857 | S | S | * | * | trans | -134.3 | 108.3 | 150.1 | -125.3 | 171.9 | 10.8 | 0 | 0 | 106.8 | ||||
| 529 | G | 29.5 | Very low | 33.9 | Very low | 68 Ų | 68 | 159.6 Ų | 159.6 | 70% | 0.701 | 85% | 0.852 | S | S | * | * | trans | -60.5 | 145.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 530 | F | 34.6 | Very low | 34.2 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 86% | 0.855 | 86% | 0.857 | S | S | * | * | trans | -66.2 | 139 | 160.8 | -88.4 | -93.9 | 0 | 0 | 0 | 108.1 | E532 | F530-E532 PolarHBondContact O-N 3.14Å; F530-E532 VanDerWaalsContact O-N 3.14Å | ||
| 531 | P | 33 | Very low | 34.3 | Very low | 121 Ų | 121 | 165.3 Ų | 165.3 | 79% | 0.786 | 86% | 0.862 | S | S | * | * | trans | -67.7 | 113.2 | 168.1 | 16.2 | -8.6 | 0 | 0 | 0 | 107.9 | D533 | P531-D533 PolarHBondContact O-N 3.37Š| ||
| 532 | E | 38.4 | Very low | 34.2 | Very low | 182 Ų | 182 | 168.1 Ų | 168.1 | 85% | 0.85 | 87% | 0.869 | S | S | * | * | trans | -64.8 | 109.7 | 148.9 | -68.3 | -176.4 | 148.6 | 0 | 0 | 105.5 | F530 | F530-E532 PolarHBondContact O-N 3.14Å; F530-E532 VanDerWaalsContact O-N 3.14Å | ||
| 533 | D | 34.7 | Very low | 34.3 | Very low | 150 Ų | 150 | 171.1 Ų | 171.1 | 80% | 0.802 | 87% | 0.871 | S | S | * | * | trans | 171.9 | 137.4 | 136.5 | -88.7 | -27.5 | 0 | 0 | 0 | 112.1 | P531 | P531-D533 PolarHBondContact O-N 3.37Š| ||
| 534 | E | 29.4 | Very low | 34.4 | Very low | 183 Ų | 183 | 165.4 Ų | 165.4 | 86% | 0.855 | 87% | 0.868 | S | S | * | * | trans | 78.7 | 141.8 | 159.2 | -67.8 | -169.5 | 163.5 | 0 | 0 | 120.6 | ||||
| 535 | P | 36.9 | Very low | 33.8 | Very low | 202 Ų | 202 | 170.5 Ų | 170.5 | 100% | 1.312 | 88% | 0.878 | S | S | * | * | -111.4 | 0 | -72.3 | 29 | -13.6 | 0 | 0 | 0 | 113.1 |
Retrieved 535 of 535 residues in 115.7 ms
(Link to these results)