| 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 | G | 63.8 | Low | 72.5 | Confident | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 61% | 0.608 | S | S | * | * | 0 | -50.2 | 0 | 0 | 0 | 0 | 0 | 0 | 112.6 | E3 W5 | G1-E3 PolarHBondContact N-OE1 2.98Å; G1-W5 VanDerWaalsContact O-CD1 3.25Å | |||
| 2 | G | 70.5 | Confident | 71.9 | Confident | 34 Ų | 34 | 120.9 Ų | 120.9 | 35% | 0.351 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.1 | -22.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R4 R6 | G2-R4 VanDerWaalsContact C-N 3.34Å; G2-R6 WeakPolarHBondContact O-CG 3.36Å; G2-R6 PolarHBondContact O-N 3.39Å; G2-R6 VanDerWaalsContact O-N 3.15Å |
| 3 | E | 74.4 | Confident | 71.3 | Confident | 138 Ų | 138 | 121.6 Ų | 121.6 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.2 | -30.1 | 176.7 | 57.6 | -101 | 106.8 | 0 | 0 | 113.1 | G1 R6 R7 | G1-E3 PolarHBondContact N-OE1 2.98Å; E3-R6 PolarHBondContact O-N 3.35Å; E3-R7 PolarHBondContact O-N 2.92Å |
| 4 | R | 76.2 | Confident | 70.8 | Confident | 191 Ų | 191 | 121.9 Ų | 121.9 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.8 | -41.7 | 177.5 | -159.3 | 178.9 | -146.6 | -106.5 | 2.3 | 111 | G2 R7 L8 | G2-R4 VanDerWaalsContact C-N 3.34Å; R4-R7 PolarHBondContact O-N 3.12Å; R4-L8 HydrophobicContact CG-CD1 4.46Å; R4-L8 WeakPolarHBondContact O-CD1 3.44Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; R4-L8 PolarHBondContact O-N 3.46Å |
| 5 | W | 63.4 | Low | 70.4 | Confident | 183 Ų | 183 | 117.5 Ų | 117.5 | 69% | 0.693 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -42.8 | 174.6 | -72.8 | 109.5 | 0 | 0 | 0 | 112.5 | G1 R7 L8 C9 | G1-W5 VanDerWaalsContact O-CD1 3.25Å; W5-R7 VanDerWaalsContact C-N 3.32Å; W5-R7 PolarHBondContact O-N 3.37Å; W5-L8 PolarHBondContact O-N 3.04Å; W5-C9 PolarHBondContact O-N 3Å; W5-C9 PolarHBondContact O-SG 3.31Å |
| 6 | R | 78.3 | Confident | 69.9 | Low | 189 Ų | 189 | 117 Ų | 117 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -38.8 | 176.6 | -75.7 | -174.3 | -112.1 | -87.1 | 5.2 | 112.5 | G2 E3 C9 L10 | G2-R6 WeakPolarHBondContact O-CG 3.36Å; G2-R6 PolarHBondContact O-N 3.39Å; G2-R6 VanDerWaalsContact O-N 3.15Å; E3-R6 PolarHBondContact O-N 3.35Å; R6-C9 PolarHBondContact O-N 3.18Å; R6-L10 PolarHBondContact O-N 2.87Å; R6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | R | 77.7 | Confident | 69.5 | Low | 188 Ų | 188 | 114.1 Ų | 114.1 | 71% | 0.709 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -43.2 | 175.3 | -171.5 | 178.3 | -69.6 | -117.7 | -0.3 | 112 | E3 R4 W5 L10 E11 | E3-R7 PolarHBondContact O-N 2.92Å; R4-R7 PolarHBondContact O-N 3.12Å; W5-R7 VanDerWaalsContact C-N 3.32Å; W5-R7 PolarHBondContact O-N 3.37Å; R7-L10 PolarHBondContact O-N 2.85Å; R7-E11 WeakPolarHBondContact O-CB 3.32Å; R7-E11 PolarHBondContact O-N 3.46Å |
| 8 | L | 73.9 | Confident | 68.9 | Low | 84 Ų | 84 | 116.9 Ų | 116.9 | 44% | 0.44 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 175.7 | -75.9 | 161.1 | 0 | 0 | 0 | 112.5 | R4 W5 S12 | R4-L8 HydrophobicContact CG-CD1 4.46Å; R4-L8 WeakPolarHBondContact O-CD1 3.44Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; R4-L8 PolarHBondContact O-N 3.46Å; W5-L8 PolarHBondContact O-N 3.04Å; L8-S12 WeakPolarHBondContact O-CB 3.3Å; L8-S12 PolarHBondContact O-N 3.15Å |
| 9 | C | 75.5 | Confident | 68.3 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 49% | 0.486 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | W5 R6 S12 E13 | W5-C9 PolarHBondContact O-N 3Å; W5-C9 PolarHBondContact O-SG 3.31Å; R6-C9 PolarHBondContact O-N 3.18Å; C9-S12 WeakPolarHBondContact O-CB 3.14Å; C9-S12 PolarHBondContact O-N 3.44Å; C9-E13 PolarHBondContact O-N 3.48Å |
| 10 | L | 74.6 | Confident | 68 | Low | 103 Ų | 103 | 114.7 Ų | 114.7 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.1 | -41.8 | -179.3 | -162.4 | 75.9 | 0 | 0 | 0 | 111.9 | R6 R7 S12 E13 E14 | R6-L10 PolarHBondContact O-N 2.87Å; R6-L10 VanDerWaalsContact O-N 3.11Å; R7-L10 PolarHBondContact O-N 2.85Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.04Å; L10-E13 PolarHBondContact O-N 3.09Å; L10-E14 PolarHBondContact O-N 3.14Å |
| 11 | E | 69.5 | Low | 67.8 | Low | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.1 | -31.6 | 177.3 | -163.9 | 163.5 | 91.7 | 0 | 0 | 111.7 | R7 A15 | R7-E11 WeakPolarHBondContact O-CB 3.32Å; R7-E11 PolarHBondContact O-N 3.46Å; E11-A15 WeakPolarHBondContact O-CB 3.41Å; E11-A15 PolarHBondContact O-N 2.97Å |
| 12 | S | 65.1 | Low | 67.9 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.8 | -42.4 | 171.1 | -169.5 | 0 | 0 | 0 | 0 | 112 | L8 C9 L10 A15 L16 | L8-S12 WeakPolarHBondContact O-CB 3.3Å; L8-S12 PolarHBondContact O-N 3.15Å; C9-S12 WeakPolarHBondContact O-CB 3.14Å; C9-S12 PolarHBondContact O-N 3.44Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.04Å; S12-A15 PolarHBondContact O-N 2.72Å; S12-L16 WeakPolarHBondContact O-CB 3.49Å; S12-L16 WeakPolarHBondContact O-CD1 3.39Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 2.96Å |
| 13 | E | 64 | Low | 67.6 | Low | 130 Ų | 130 | 118.8 Ų | 118.8 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.6 | -40.3 | 174.3 | -77.1 | 178.5 | 87.1 | 0 | 0 | 112.1 | C9 L10 L16 A17 | C9-E13 PolarHBondContact O-N 3.48Å; L10-E13 PolarHBondContact O-N 3.09Å; E13-L16 PolarHBondContact O-N 3.44Å; E13-A17 PolarHBondContact O-N 3.06Å |
| 14 | E | 63.8 | Low | 67.4 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69 | -37.8 | 174.4 | -72.7 | -168.4 | 98.6 | 0 | 0 | 112.5 | L10 A17 L18 | L10-E14 PolarHBondContact O-N 3.14Å; E14-A17 WeakPolarHBondContact O-CB 3.08Å; E14-A17 PolarHBondContact O-N 3.08Å; E14-L18 PolarHBondContact O-N 3.22Å; E14-L18 VanDerWaalsContact O-N 3.1Å |
| 15 | A | 64.7 | Low | 67 | Low | 55 Ų | 55 | 112.6 Ų | 112.6 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E11 S12 A17 L18 C19 | E11-A15 WeakPolarHBondContact O-CB 3.41Å; E11-A15 PolarHBondContact O-N 2.97Å; S12-A15 PolarHBondContact O-N 2.72Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.2Å; A15-C19 VanDerWaalsContact O-CB 3.29Å; A15-C19 WeakPolarHBondContact O-CB 3.15Å; A15-C19 PolarHBondContact O-N 2.95Å |
| 16 | L | 62.6 | Low | 67.5 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.3 | -30.6 | 172 | -74.1 | 166.7 | 0 | 0 | 0 | 112.1 | S12 E13 C19 S20 | S12-L16 WeakPolarHBondContact O-CB 3.49Å; S12-L16 WeakPolarHBondContact O-CD1 3.39Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 2.96Å; E13-L16 PolarHBondContact O-N 3.44Å; L16-C19 CarbonylContact O-C 3.53Å; L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 PolarHBondContact O-OG 3.04Å |
| 17 | A | 63.6 | Low | 67.5 | Low | 68 Ų | 68 | 100.4 Ų | 100.4 | 56% | 0.562 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.6 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E13 E14 A15 | E13-A17 PolarHBondContact O-N 3.06Å; E14-A17 WeakPolarHBondContact O-CB 3.08Å; E14-A17 PolarHBondContact O-N 3.08Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.35Å |
| 18 | L | 58.8 | Low | 66.9 | Low | 165 Ų | 165 | 96.8 Ų | 96.8 | 86% | 0.864 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.5 | -22.5 | 175.6 | -66.6 | 172.6 | 0 | 0 | 0 | 113.3 | E14 A15 | E14-L18 PolarHBondContact O-N 3.22Å; E14-L18 VanDerWaalsContact O-N 3.1Å; A15-L18 PolarHBondContact O-N 3.2Å |
| 19 | C | 58 | Low | 66.6 | Low | 105 Ų | 105 | 94.3 Ų | 94.3 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 24.3 | 175.5 | -153 | 0 | 0 | 0 | 0 | 112.6 | A15 L16 V21 | A15-C19 VanDerWaalsContact O-CB 3.29Å; A15-C19 WeakPolarHBondContact O-CB 3.15Å; A15-C19 PolarHBondContact O-N 2.95Å; L16-C19 CarbonylContact O-C 3.53Å; C19-V21 VanDerWaalsContact C-N 3.27Å; C19-V21 PolarHBondContact O-N 3.2Å |
| 20 | S | 62.6 | Low | 66.3 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 58% | 0.58 | 56% | 0.562 | S | S | * | * | trans | -79.4 | 72 | -177.9 | -89.1 | 0 | 0 | 0 | 0 | 112.4 | L16 S22 | L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 PolarHBondContact O-OG 3.04Å; S20-S22 PolarHBondContact O-N 3.18Å | ||
| 21 | V | 62.2 | Low | 66.1 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -70.6 | 95.8 | 134.5 | 168.9 | 0 | 0 | 0 | 0 | 104.9 | C19 V23 | C19-V21 VanDerWaalsContact C-N 3.27Å; C19-V21 PolarHBondContact O-N 3.2Å; V21-V23 PolarHBondContact O-N 3.18Å | ||
| 22 | S | 65.8 | Low | 66 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | trans | -64.7 | 103.9 | 169.7 | 46.8 | 0 | 0 | 0 | 0 | 106.9 | S20 T24 | S20-S22 PolarHBondContact O-N 3.18Å; S22-T24 VanDerWaalsContact C-N 3.32Å; S22-T24 WeakPolarHBondContact O-CG2 3.41Å; S22-T24 PolarHBondContact O-N 2.95Å | ||
| 23 | V | 64.9 | Low | 65.9 | Low | 110 Ų | 110 | 93 Ų | 93 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | trans | -65.7 | 99.5 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | V21 D27 | V21-V23 PolarHBondContact O-N 3.18Å; V23-D27 HydrophobicContact CG1-CB 3.99Å | ||
| 24 | T | 71.3 | Confident | 66.1 | Low | 66 Ų | 66 | 90 Ų | 90 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | trans | -76.1 | 162.3 | 175.9 | 70.6 | 0 | 0 | 0 | 0 | 109.3 | S22 A26 D27 Y28 | S22-T24 VanDerWaalsContact C-N 3.32Å; S22-T24 WeakPolarHBondContact O-CG2 3.41Å; S22-T24 PolarHBondContact O-N 2.95Å; T24-A26 PolarHBondContact O-N 3.46Å; T24-A26 VanDerWaalsContact O-N 3.1Å; T24-A26 WeakPolarHBondContact OG1-CB 3.35Å; T24-A26 PolarHBondContact OG1-N 3.31Å; T24-D27 WeakPolarHBondContact CA-OD2 3.1Å; T24-D27 VanDerWaalsContact CB-OD2 3.27Å; T24-D27 WeakPolarHBondContact CB-OD2 3.4Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.49Å; T24-D27 PolarHBondContact N-OD2 3.41Å; T24-D27 WeakPolarHBondContact O-CB 2.87Å; T24-D27 PolarHBondContact O-N 3.4Å; T24-D27 PolarHBondContact OG1-N 3.31Å; T24-D27 PolarHBondContact OG1-OD2 3.21Å; T24-Y28 PolarHBondContact O-N 3.25Å | ||
| 25 | V | 67.6 | Low | 66 | Low | 132 Ų | 132 | 85 Ų | 85 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.5 | -28.7 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 111 | A29 | V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3.14Å; V25-A29 VanDerWaalsContact O-N 3.1Å |
| 26 | A | 72.3 | Confident | 65.9 | Low | 53 Ų | 53 | 85 Ų | 85 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T24 Y28 A29 N30 | T24-A26 PolarHBondContact O-N 3.46Å; T24-A26 VanDerWaalsContact O-N 3.1Å; T24-A26 WeakPolarHBondContact OG1-CB 3.35Å; T24-A26 PolarHBondContact OG1-N 3.31Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 3.06Å; A26-A29 WeakPolarHBondContact O-CB 3.49Å; A26-A29 PolarHBondContact O-N 3.05Å; A26-A29 VanDerWaalsContact O-N 3.15Å; A26-N30 WeakPolarHBondContact O-CB 3.28Å; A26-N30 VanDerWaalsContact O-CG 3.31Å; A26-N30 PolarHBondContact O-N 2.9Å; A26-N30 PolarHBondContact O-ND2 3.24Å |
| 27 | D | 79.6 | Confident | 66.1 | Low | 64 Ų | 64 | 89.7 Ų | 89.7 | 34% | 0.342 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.3 | -62.3 | -62.5 | 0 | 0 | 0 | 111.2 | V23 T24 A29 N30 S31 | V23-D27 HydrophobicContact CG1-CB 3.99Å; T24-D27 WeakPolarHBondContact CA-OD2 3.1Å; T24-D27 VanDerWaalsContact CB-OD2 3.27Å; T24-D27 WeakPolarHBondContact CB-OD2 3.4Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.49Å; T24-D27 PolarHBondContact N-OD2 3.41Å; T24-D27 WeakPolarHBondContact O-CB 2.87Å; T24-D27 PolarHBondContact O-N 3.4Å; T24-D27 PolarHBondContact OG1-N 3.31Å; T24-D27 PolarHBondContact OG1-OD2 3.21Å; D27-A29 VanDerWaalsContact C-N 3.34Å; D27-A29 PolarHBondContact O-N 3.05Å; D27-N30 PolarHBondContact O-N 3.08Å; D27-N30 VanDerWaalsContact O-N 3.16Å; D27-S31 PolarHBondContact O-N 3.2Å; D27-S31 PolarHBondContact O-OG 2.98Å; D27-S31 VanDerWaalsContact O-OG 3.07Å |
| 28 | Y | 63.9 | Low | 66.5 | Low | 112 Ų | 112 | 88.8 Ų | 88.8 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 172.7 | -175.2 | -101 | 0 | 0 | 0 | 112.8 | T24 A26 N30 V41 | T24-Y28 PolarHBondContact O-N 3.25Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 3.06Å; Y28-N30 PolarHBondContact O-N 2.9Å; Y28-V41 WeakPolarHBondContact OH-CG1 3.29Å |
| 29 | A | 68.3 | Low | 67.2 | Low | 32 Ų | 32 | 84 Ų | 84 | 26% | 0.264 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -25.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V25 A26 D27 P33 V36 | V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3.14Å; V25-A29 VanDerWaalsContact O-N 3.1Å; A26-A29 WeakPolarHBondContact O-CB 3.49Å; A26-A29 PolarHBondContact O-N 3.05Å; A26-A29 VanDerWaalsContact O-N 3.15Å; D27-A29 VanDerWaalsContact C-N 3.34Å; D27-A29 PolarHBondContact O-N 3.05Å; A29-P33 WeakPolarHBondContact O-CA 3.43Å; A29-V36 HydrophobicContact CB-CG1 4.09Å; A29-V36 HydrophobicContact CB-CG2 4.42Å |
| 30 | N | 69.2 | Low | 68.2 | Low | 114 Ų | 114 | 86.6 Ų | 86.6 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -91.7 | -23.6 | -178.4 | -75.5 | -47.9 | 0 | 0 | 0 | 113.8 | A26 D27 Y28 D32 P33 | A26-N30 WeakPolarHBondContact O-CB 3.28Å; A26-N30 VanDerWaalsContact O-CG 3.31Å; A26-N30 PolarHBondContact O-N 2.9Å; A26-N30 PolarHBondContact O-ND2 3.24Å; D27-N30 PolarHBondContact O-N 3.08Å; D27-N30 VanDerWaalsContact O-N 3.16Å; Y28-N30 PolarHBondContact O-N 2.9Å; N30-D32 PolarHBondContact O-N 2.84Å; N30-P33 WeakPolarHBondContact O-CD 3.24Å |
| 31 | S | 70.1 | Confident | 68.9 | Low | 105 Ų | 105 | 85.2 Ų | 85.2 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 178.8 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | D27 | D27-S31 PolarHBondContact O-N 3.2Å; D27-S31 PolarHBondContact O-OG 2.98Å; D27-S31 VanDerWaalsContact O-OG 3.07Å |
| 32 | D | 68.2 | Low | 69.8 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -145.6 | 86.5 | 168.4 | -170.1 | -24.4 | 0 | 0 | 0 | 110.2 | N30 A34 V35 V36 | N30-D32 PolarHBondContact O-N 2.84Å; D32-A34 PolarHBondContact O-N 3.4Å; D32-A34 WeakPolarHBondContact OD1-CB 3.49Å; D32-A34 PolarHBondContact OD1-N 2.98Å; D32-V35 HydrophobicContact CB-CB 4.09Å; D32-V35 HydrophobicContact CB-CG2 4.17Å; D32-V35 VanDerWaalsContact CG-CG2 3.4Å; D32-V35 PolarHBondContact O-N 3.45Å; D32-V35 PolarHBondContact OD1-N 3Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.26Å; D32-V36 WeakPolarHBondContact O-CG2 3.44Å; D32-V36 PolarHBondContact O-N 3.23Å | ||
| 33 | P | 62.4 | Low | 70.8 | Confident | 43 Ų | 43 | 91 Ų | 91 | 28% | 0.279 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -19.5 | -177.7 | 25.7 | -32.4 | 0 | 0 | 0 | 112 | A29 N30 R37 | A29-P33 WeakPolarHBondContact O-CA 3.43Å; N30-P33 WeakPolarHBondContact O-CD 3.24Å; P33-R37 WeakPolarHBondContact O-CB 3.33Å; P33-R37 WeakPolarHBondContact O-CD 3.48Å; P33-R37 WeakPolarHBondContact O-CG 3.48Å; P33-R37 PolarHBondContact O-N 3.31Å |
| 34 | A | 67.4 | Low | 71.6 | Confident | 65 Ų | 65 | 86.9 Ų | 86.9 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D32 S38 | D32-A34 PolarHBondContact O-N 3.4Å; D32-A34 WeakPolarHBondContact OD1-CB 3.49Å; D32-A34 PolarHBondContact OD1-N 2.98Å; A34-S38 WeakPolarHBondContact O-CB 3.44Å; A34-S38 PolarHBondContact O-N 3.49Å |
| 35 | V | 62 | Low | 72.2 | Confident | 22 Ų | 22 | 86.7 Ų | 86.7 | 13% | 0.133 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.1 | 165.8 | 0 | 0 | 0 | 0 | 111.8 | D32 S38 G39 R40 V41 A44 | D32-V35 HydrophobicContact CB-CB 4.09Å; D32-V35 HydrophobicContact CB-CG2 4.17Å; D32-V35 VanDerWaalsContact CG-CG2 3.4Å; D32-V35 PolarHBondContact O-N 3.45Å; D32-V35 PolarHBondContact OD1-N 3Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.26Å; V35-S38 PolarHBondContact O-N 3.39Å; V35-G39 PolarHBondContact O-N 3.16Å; V35-R40 PolarHBondContact O-N 2.93Å; V35-V41 HydrophobicContact CG1-CG2 4.25Å; V35-A44 HydrophobicContact CB-CB 4.01Å; V35-A44 HydrophobicContact CG1-CB 3.32Å; V35-A44 HydrophobicContact CG2-CB 3.48Å; V35-A44 VanDerWaalsContact CG2-CB 3.48Å |
| 36 | V | 64 | Low | 73.1 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 34% | 0.339 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.4 | -50.1 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | A29 D32 S38 G39 | A29-V36 HydrophobicContact CB-CG1 4.09Å; A29-V36 HydrophobicContact CB-CG2 4.42Å; D32-V36 WeakPolarHBondContact O-CG2 3.44Å; D32-V36 PolarHBondContact O-N 3.23Å; V36-S38 PolarHBondContact O-N 3.16Å; V36-G39 PolarHBondContact O-N 2.88Å |
| 37 | R | 66.5 | Low | 73.7 | Confident | 207 Ų | 207 | 83.9 Ų | 83.9 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.6 | -28.4 | 177.1 | -67.3 | 171.7 | -166.9 | 150.2 | 4.6 | 112.5 | P33 | P33-R37 WeakPolarHBondContact O-CB 3.33Å; P33-R37 WeakPolarHBondContact O-CD 3.48Å; P33-R37 WeakPolarHBondContact O-CG 3.48Å; P33-R37 PolarHBondContact O-N 3.31Å |
| 38 | S | 71.9 | Confident | 74.1 | Confident | 50 Ų | 50 | 83.2 Ų | 83.2 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.2 | 179.1 | -177 | 0 | 0 | 0 | 0 | 114.1 | A34 V35 V36 R40 | A34-S38 WeakPolarHBondContact O-CB 3.44Å; A34-S38 PolarHBondContact O-N 3.49Å; V35-S38 PolarHBondContact O-N 3.39Å; V36-S38 PolarHBondContact O-N 3.16Å; S38-R40 PolarHBondContact O-N 3.07Å; S38-R40 VanDerWaalsContact OG-CZ 3.27Å; S38-R40 PolarHBondContact OG-NE 3.29Å; S38-R40 PolarHBondContact OG-NH2 3.2Å |
| 39 | G | 74.1 | Confident | 75.1 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 15.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V35 V36 V41 | V35-G39 PolarHBondContact O-N 3.16Å; V36-G39 PolarHBondContact O-N 2.88Å; G39-V41 VanDerWaalsContact C-N 3.25Å; G39-V41 PolarHBondContact O-N 2.92Å |
| 40 | R | 77.6 | Confident | 76 | Confident | 161 Ų | 161 | 86.5 Ų | 86.5 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | trans | -91.7 | 28.9 | -175.1 | -83.7 | -172.9 | -80.5 | -169.8 | -11.5 | 113.2 | V35 S38 K42 K43 A44 | V35-R40 PolarHBondContact O-N 2.93Å; S38-R40 PolarHBondContact O-N 3.07Å; S38-R40 VanDerWaalsContact OG-CZ 3.27Å; S38-R40 PolarHBondContact OG-NE 3.29Å; S38-R40 PolarHBondContact OG-NH2 3.2Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.03Å; R40-K43 PolarHBondContact O-N 3.43Å; R40-K43 VanDerWaalsContact O-N 3.08Å; R40-A44 PolarHBondContact O-N 3.22Å; R40-A44 VanDerWaalsContact O-N 3.14Å | ||
| 41 | V | 78.2 | Confident | 76.7 | Confident | 54 Ų | 54 | 87 Ų | 87 | 33% | 0.327 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -51.4 | -47.4 | -176.9 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | Y28 V35 G39 K43 A44 V45 | Y28-V41 WeakPolarHBondContact OH-CG1 3.29Å; V35-V41 HydrophobicContact CG1-CG2 4.25Å; G39-V41 VanDerWaalsContact C-N 3.25Å; G39-V41 PolarHBondContact O-N 2.92Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.15Å; V41-A44 PolarHBondContact O-N 2.77Å; V41-V45 HydrophobicContact CG1-CG2 4.07Å; V41-V45 WeakPolarHBondContact O-CB 3.49Å; V41-V45 VanDerWaalsContact O-CG2 3.26Å; V41-V45 WeakPolarHBondContact O-CG2 3.45Å; V41-V45 PolarHBondContact O-N 3.1Å |
| 42 | K | 81.1 | Confident | 77.4 | Confident | 191 Ų | 191 | 87.9 Ų | 87.9 | 83% | 0.83 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | -179.3 | -66 | -178.4 | 176.1 | -177.5 | 0 | 113.4 | R40 A46 | R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.03Å; K42-A46 PolarHBondContact O-N 3.2Å; K42-A46 VanDerWaalsContact O-N 3.16Å |
| 43 | K | 85.6 | Confident | 78.2 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -76.4 | -38.1 | -179 | -174.9 | 169.4 | -176.5 | 172.1 | 0 | 111.6 | R40 V41 A46 N47 | R40-K43 PolarHBondContact O-N 3.43Å; R40-K43 VanDerWaalsContact O-N 3.08Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.15Å; K43-A46 PolarHBondContact O-N 2.97Å; K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 VanDerWaalsContact O-CG 3.31Å; K43-N47 PolarHBondContact O-N 3.47Å |
| 44 | A | 83.4 | Confident | 79.3 | Confident | 25 Ų | 25 | 93 Ų | 93 | 21% | 0.207 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V35 R40 V41 N47 A48 | V35-A44 HydrophobicContact CB-CB 4.01Å; V35-A44 HydrophobicContact CG1-CB 3.32Å; V35-A44 HydrophobicContact CG2-CB 3.48Å; V35-A44 VanDerWaalsContact CG2-CB 3.48Å; R40-A44 PolarHBondContact O-N 3.22Å; R40-A44 VanDerWaalsContact O-N 3.14Å; V41-A44 PolarHBondContact O-N 2.77Å; A44-N47 PolarHBondContact O-N 2.58Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.1Å |
| 45 | V | 83.2 | Confident | 79.8 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V41 N47 A48 I49 | V41-V45 HydrophobicContact CG1-CG2 4.07Å; V41-V45 WeakPolarHBondContact O-CB 3.49Å; V41-V45 VanDerWaalsContact O-CG2 3.26Å; V41-V45 WeakPolarHBondContact O-CG2 3.45Å; V41-V45 PolarHBondContact O-N 3.1Å; V45-N47 VanDerWaalsContact C-N 3.33Å; V45-N47 PolarHBondContact O-N 3.23Å; V45-A48 PolarHBondContact O-N 3.3Å; V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 VanDerWaalsContact O-CG1 3.28Å; V45-I49 WeakPolarHBondContact O-CG1 3.27Å; V45-I49 PolarHBondContact O-N 3.49Å |
| 46 | A | 85.5 | Confident | 80.5 | Confident | 48 Ų | 48 | 97.4 Ų | 97.4 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K42 K43 Q50 | K42-A46 PolarHBondContact O-N 3.2Å; K42-A46 VanDerWaalsContact O-N 3.16Å; K43-A46 PolarHBondContact O-N 2.97Å; A46-Q50 WeakPolarHBondContact O-CB 3.4Å; A46-Q50 VanDerWaalsContact O-CG 3.3Å; A46-Q50 WeakPolarHBondContact O-CG 3.22Å; A46-Q50 PolarHBondContact O-N 2.9Å |
| 47 | N | 85.4 | Confident | 80.8 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 177.7 | -76.8 | -13.7 | 0 | 0 | 0 | 112.5 | K43 A44 V45 Q50 Q51 | K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 VanDerWaalsContact O-CG 3.31Å; K43-N47 PolarHBondContact O-N 3.47Å; A44-N47 PolarHBondContact O-N 2.58Å; V45-N47 VanDerWaalsContact C-N 3.33Å; V45-N47 PolarHBondContact O-N 3.23Å; N47-Q50 PolarHBondContact O-N 3.22Å; N47-Q51 WeakPolarHBondContact O-CG 3.33Å; N47-Q51 PolarHBondContact O-N 2.95Å |
| 48 | A | 87.8 | Confident | 80.5 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A44 V45 Q50 Q51 E52 | A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.1Å; V45-A48 PolarHBondContact O-N 3.3Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 2.87Å; A48-Q51 PolarHBondContact O-N 2.97Å; A48-E52 WeakPolarHBondContact O-CG 3.43Å; A48-E52 PolarHBondContact O-N 3.43Å |
| 49 | I | 85.8 | Confident | 79.8 | Confident | 92 Ų | 92 | 96.1 Ų | 96.1 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 175.6 | -65.6 | 166.4 | 0 | 0 | 0 | 110.6 | V45 Q51 E52 V53 | V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 VanDerWaalsContact O-CG1 3.28Å; V45-I49 WeakPolarHBondContact O-CG1 3.27Å; V45-I49 PolarHBondContact O-N 3.49Å; I49-Q51 VanDerWaalsContact C-N 3.34Å; I49-Q51 PolarHBondContact O-N 3.19Å; I49-E52 PolarHBondContact O-N 2.87Å; I49-V53 HydrophobicContact CG2-CG2 4.31Å; I49-V53 WeakPolarHBondContact O-CB 3.29Å; I49-V53 VanDerWaalsContact O-CG2 3.24Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 3.35Å |
| 50 | Q | 85.8 | Confident | 79 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -38.9 | 176.8 | -80.2 | -175.2 | -22.5 | 0 | 0 | 113 | A46 N47 A48 K54 | A46-Q50 WeakPolarHBondContact O-CB 3.4Å; A46-Q50 VanDerWaalsContact O-CG 3.3Å; A46-Q50 WeakPolarHBondContact O-CG 3.22Å; A46-Q50 PolarHBondContact O-N 2.9Å; N47-Q50 PolarHBondContact O-N 3.22Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 2.87Å; Q50-K54 WeakPolarHBondContact O-CB 3.36Å; Q50-K54 WeakPolarHBondContact O-CD 3.37Å; Q50-K54 WeakPolarHBondContact O-CG 3.2Å; Q50-K54 PolarHBondContact O-N 3.1Å |
| 51 | Q | 84.4 | Confident | 78 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -71 | -40.4 | 177.4 | -71.2 | -71.5 | 17.3 | 0 | 0 | 112 | N47 A48 I49 K54 S55 | N47-Q51 WeakPolarHBondContact O-CG 3.33Å; N47-Q51 PolarHBondContact O-N 2.95Å; A48-Q51 PolarHBondContact O-N 2.97Å; I49-Q51 VanDerWaalsContact C-N 3.34Å; I49-Q51 PolarHBondContact O-N 3.19Å; Q51-K54 PolarHBondContact O-N 2.78Å; Q51-S55 WeakPolarHBondContact O-CB 3.5Å; Q51-S55 PolarHBondContact O-N 3.02Å |
| 52 | E | 84.1 | Confident | 77.1 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 176.2 | -71.5 | -172.5 | 99.3 | 0 | 0 | 111.4 | A48 I49 K54 S55 L56 | A48-E52 WeakPolarHBondContact O-CG 3.43Å; A48-E52 PolarHBondContact O-N 3.43Å; I49-E52 PolarHBondContact O-N 2.87Å; E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.36Å; E52-S55 PolarHBondContact O-N 2.91Å; E52-S55 VanDerWaalsContact O-N 3.15Å; E52-L56 WeakPolarHBondContact O-CB 3.32Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 2.97Å |
| 53 | V | 86.3 | Confident | 75.9 | Confident | 80 Ų | 80 | 101.4 Ų | 101.4 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.5 | -43 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | I49 S55 L56 C57 | I49-V53 HydrophobicContact CG2-CG2 4.31Å; I49-V53 WeakPolarHBondContact O-CB 3.29Å; I49-V53 VanDerWaalsContact O-CG2 3.24Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 3.35Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.22Å; V53-L56 PolarHBondContact O-N 3.44Å; V53-C57 WeakPolarHBondContact O-CB 3.48Å; V53-C57 PolarHBondContact O-N 3.3Å; V53-C57 VanDerWaalsContact O-N 3.08Å; V53-C57 PolarHBondContact O-SG 2.88Å |
| 54 | K | 84.3 | Confident | 73.8 | Confident | 147 Ų | 147 | 100.9 Ų | 100.9 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -35.9 | 176.3 | -73.2 | 166.9 | 82.2 | -179.6 | 0 | 112.7 | Q50 Q51 E52 | Q50-K54 WeakPolarHBondContact O-CB 3.36Å; Q50-K54 WeakPolarHBondContact O-CD 3.37Å; Q50-K54 WeakPolarHBondContact O-CG 3.2Å; Q50-K54 PolarHBondContact O-N 3.1Å; Q51-K54 PolarHBondContact O-N 2.78Å; E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.36Å |
| 55 | S | 78.6 | Confident | 72.4 | Confident | 72 Ų | 72 | 105.3 Ų | 105.3 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72 | -43.9 | 177.4 | -171 | 0 | 0 | 0 | 0 | 112.1 | Q51 E52 V53 G58 L59 | Q51-S55 WeakPolarHBondContact O-CB 3.5Å; Q51-S55 PolarHBondContact O-N 3.02Å; E52-S55 PolarHBondContact O-N 2.91Å; E52-S55 VanDerWaalsContact O-N 3.15Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.22Å; S55-G58 PolarHBondContact O-N 3.05Å; S55-G58 VanDerWaalsContact O-N 3.14Å; S55-L59 PolarHBondContact O-N 3.37Å |
| 56 | L | 76.9 | Confident | 71 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -41.5 | -178.5 | -72.3 | 168.4 | 0 | 0 | 0 | 111.7 | E52 V53 G58 L59 | E52-L56 WeakPolarHBondContact O-CB 3.32Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 2.97Å; V53-L56 PolarHBondContact O-N 3.44Å; L56-G58 PolarHBondContact O-N 2.97Å; L56-G58 VanDerWaalsContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.11Å |
| 57 | C | 69.9 | Low | 69.5 | Low | 100 Ų | 100 | 111.6 Ų | 111.6 | 68% | 0.676 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -10 | 174.7 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | V53 | V53-C57 WeakPolarHBondContact O-CB 3.48Å; V53-C57 PolarHBondContact O-N 3.3Å; V53-C57 VanDerWaalsContact O-N 3.08Å; V53-C57 PolarHBondContact O-SG 2.88Å |
| 58 | G | 61.5 | Low | 67.8 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -5.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S55 L56 | S55-G58 PolarHBondContact O-N 3.05Å; S55-G58 VanDerWaalsContact O-N 3.14Å; L56-G58 PolarHBondContact O-N 2.97Å; L56-G58 VanDerWaalsContact O-N 3.09Å |
| 59 | L | 55.5 | Low | 66.3 | Low | 123 Ų | 123 | 116.9 Ų | 116.9 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -12 | -174.1 | -89.6 | 156 | 0 | 0 | 0 | 114.2 | S55 L56 A61 | S55-L59 PolarHBondContact O-N 3.37Å; L56-L59 PolarHBondContact O-N 3.11Å; L59-A61 VanDerWaalsContact C-N 3.3Å; L59-A61 PolarHBondContact O-N 3.48Å |
| 60 | E | 57.4 | Low | 64.4 | Low | 183 Ų | 183 | 119.6 Ų | 119.6 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 34.3 | -175.8 | -61.7 | -163.2 | 101.4 | 0 | 0 | 114.9 | ||
| 61 | A | 56.8 | Low | 62.7 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 6.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | L59 | L59-A61 VanDerWaalsContact C-N 3.3Å; L59-A61 PolarHBondContact O-N 3.48Å |
| 62 | S | 59.3 | Low | 60.8 | Low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | trans | -141.8 | 70.2 | 177.5 | -159.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 63 | Q | 56.1 | Low | 59 | Low | 181 Ų | 181 | 118.4 Ų | 118.4 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | trans | -137.8 | 92 | 152.3 | -163.8 | 170.7 | 63.1 | 0 | 0 | 109 | ||||
| 64 | V | 42.4 | Very low | 56.8 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | -118.1 | 104.2 | 160.1 | -172.3 | 0 | 0 | 0 | 0 | 105.7 | A66 | V64-A66 HydrophobicContact CG1-CB 3.98Å; V64-A66 PolarHBondContact O-N 2.92Å | ||
| 65 | P | 53.6 | Low | 54.8 | Low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -72.4 | 87.5 | 155.6 | -1.5 | 19.9 | 0 | 0 | 0 | 105.7 | E67 | P65-E67 PolarHBondContact O-N 3.03Š| ||
| 66 | A | 54 | Low | 53.5 | Low | 68 Ų | 68 | 121 Ų | 121 | 56% | 0.562 | 75% | 0.745 | S | S | * | * | trans | -79.5 | 97.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | V64 E68 | V64-A66 HydrophobicContact CG1-CB 3.98Å; V64-A66 PolarHBondContact O-N 2.92Å; A66-E68 VanDerWaalsContact C-N 3.34Å; A66-E68 PolarHBondContact O-N 3.29Å | ||
| 67 | E | 53.6 | Low | 51.9 | Low | 175 Ų | 175 | 120.9 Ų | 120.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -59.4 | 94.7 | 164.5 | -166.6 | -166.1 | 128.4 | 0 | 0 | 108.3 | P65 A69 | P65-E67 PolarHBondContact O-N 3.03Å; E67-A69 PolarHBondContact O-N 3.42Å | ||
| 68 | E | 49.1 | Very low | 50.6 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -98.1 | 78.7 | 171.9 | -69.9 | -88.6 | 99.4 | 0 | 0 | 108.6 | A66 L70 | A66-E68 VanDerWaalsContact C-N 3.34Å; A66-E68 PolarHBondContact O-N 3.29Å; E68-L70 PolarHBondContact O-N 3.07Å | ||
| 69 | A | 56.2 | Low | 50.3 | Low | 77 Ų | 77 | 126.3 Ų | 126.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 87.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E67 | E67-A69 PolarHBondContact O-N 3.42Š| ||
| 70 | L | 46.9 | Very low | 50.3 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -132.1 | 97.1 | 164.4 | -71.3 | 177.2 | 0 | 0 | 0 | 110.3 | E68 | E68-L70 PolarHBondContact O-N 3.07Š| ||
| 71 | S | 50 | Low | 50.2 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -66.5 | 129 | 159.5 | 160.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 72 | G | 44.6 | Very low | 50 | Low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | 172.1 | 86.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 73 | V | 46.5 | Very low | 50 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 93% | 0.933 | 76% | 0.756 | S | S | * | * | trans | 37.2 | 118.9 | 136.4 | 179.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 74 | G | 39.1 | Very low | 49.8 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 127.1 | 98.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 75 | E | 42.1 | Very low | 50.4 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -100.5 | 164.8 | 152.1 | -149.6 | -148.7 | 70.7 | 0 | 0 | 107.3 | ||||
| 76 | P | 52 | Low | 50.2 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | cis | -127.7 | 174.9 | -8.9 | 19.8 | 5.3 | 0 | 0 | 0 | 113.8 | ||||
| 77 | C | 42.9 | Very low | 49.9 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | 153.9 | 131.8 | 123.2 | -100.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 78 | D | 41.9 | Very low | 49.8 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 78.3 | 109.6 | 140.3 | -55.6 | -39 | 0 | 0 | 0 | 122 | ||||
| 79 | I | 55.4 | Low | 50 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 56.8 | 102.8 | 130.3 | -49.3 | 166.5 | 0 | 0 | 0 | 115.7 | ||||
| 80 | L | 56.6 | Low | 49.4 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -150.3 | 95.9 | 136.3 | -100.3 | 152.2 | 0 | 0 | 0 | 107.9 | S82 | L80-S82 PolarHBondContact O-N 3.43Š| ||
| 81 | D | 54.4 | Low | 49.1 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 116.6 | 155.5 | -176.6 | -97.7 | 0 | 0 | 0 | 107.8 | ||||
| 82 | S | 53.2 | Low | 49.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -150 | 97.2 | 163.3 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | L80 | L80-S82 PolarHBondContact O-N 3.43Š| ||
| 83 | S | 59.5 | Low | 49.1 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 136.1 | 165.2 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | D | 52.6 | Low | 49.4 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | -150.9 | 109.4 | 147 | -164 | -112.7 | 0 | 0 | 0 | 108.9 | ||||
| 85 | E | 53.6 | Low | 49.8 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -27.1 | 117.5 | 161.9 | 44.1 | -104.9 | 53.5 | 0 | 0 | 117.9 | ||||
| 86 | M | 50.5 | Low | 50.2 | Low | 167 Ų | 167 | 143.6 Ų | 143.6 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | -150.4 | 84.9 | 141.3 | 51.6 | -161 | 92.8 | 0 | 0 | 109 | ||||
| 87 | D | 48.2 | Very low | 50 | Low | 163 Ų | 163 | 143.2 Ų | 143.2 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 144.7 | 170.5 | -171.8 | -121.3 | 0 | 0 | 0 | 110.4 | Q89 | D87-Q89 PolarHBondContact O-N 3.48Š| ||
| 88 | A | 50.3 | Low | 50.5 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | trans | -50.1 | 123.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E90 | A88-E90 HydrophobicContact CB-CB 4.41Å; A88-E90 PolarHBondContact O-N 3.32Å | ||
| 89 | Q | 52.7 | Low | 51.4 | Low | 198 Ų | 198 | 144.3 Ų | 144.3 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -75.5 | 78.7 | 156.8 | -169.7 | -155.5 | -92.6 | 0 | 0 | 108.5 | D87 | D87-Q89 PolarHBondContact O-N 3.48Š| ||
| 90 | E | 44.8 | Very low | 51.8 | Low | 161 Ų | 161 | 148.7 Ų | 148.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -148.5 | 92.9 | 174.5 | -122.5 | -97.5 | 96.2 | 0 | 0 | 109.9 | A88 | A88-E90 HydrophobicContact CB-CB 4.41Å; A88-E90 PolarHBondContact O-N 3.32Å | ||
| 91 | E | 40.7 | Very low | 52.1 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -172.6 | 111.3 | 137.5 | -129.3 | 174.3 | 59.6 | 0 | 0 | 107.1 | ||||
| 92 | S | 51.2 | Low | 52.7 | Low | 91 Ų | 91 | 152.9 Ų | 152.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | 44.1 | 106.4 | 83.1 | 156 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 93 | T | 43.3 | Very low | 53 | Low | 116 Ų | 116 | 156.6 Ų | 156.6 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | 172.8 | 92.6 | 144.7 | 36.6 | 0 | 0 | 0 | 0 | 106.9 | E95 | T93-E95 VanDerWaalsContact C-N 3.3Å; T93-E95 PolarHBondContact O-N 3.15Å; T93-E95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | Q | 52.1 | Low | 53.2 | Low | 199 Ų | 199 | 156.9 Ų | 156.9 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | 40.3 | 54.3 | 94.2 | -155.3 | -171.1 | 21.1 | 0 | 0 | 114.6 | |||||
| 95 | E | 48.6 | Very low | 53.7 | Low | 174 Ų | 174 | 160.3 Ų | 160.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -154.3 | 91 | 158.4 | -150.2 | -158.5 | 100.8 | 0 | 0 | 112.3 | T93 | T93-E95 VanDerWaalsContact C-N 3.3Å; T93-E95 PolarHBondContact O-N 3.15Å; T93-E95 VanDerWaalsContact O-N 3.12Å | ||
| 96 | R | 49.8 | Very low | 54.5 | Low | 239 Ų | 239 | 164.2 Ų | 164.2 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -145.1 | 86.2 | 149.4 | -109.9 | 174 | -152.9 | 177 | 7.5 | 110.3 | ||
| 97 | S | 48.5 | Very low | 55 | Low | 86 Ų | 86 | 164 Ų | 164 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | 60.6 | 90.1 | 138.6 | 64.1 | 0 | 0 | 0 | 0 | 116.9 | S99 | S97-S99 PolarHBondContact O-N 2.72Š| ||
| 98 | V | 53.2 | Low | 55.8 | Low | 148 Ų | 148 | 166 Ų | 166 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -60.8 | 84.6 | 142.2 | -89.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | S | 60.6 | Low | 56.2 | Low | 107 Ų | 107 | 170.1 Ų | 170.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 117.2 | 172.2 | -74.1 | 0 | 0 | 0 | 0 | 110.6 | S97 | S97-S99 PolarHBondContact O-N 2.72Š| ||
| 100 | R | 64.4 | Low | 56.5 | Low | 241 Ų | 241 | 167.8 Ų | 167.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -70.8 | 125.2 | -170.1 | -64.4 | 164.8 | 174.1 | -171.1 | -2.6 | 112.6 | ||||
| 101 | K | 61.6 | Low | 57.6 | Low | 203 Ų | 203 | 168.9 Ų | 168.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | 36.9 | 123.6 | 136.9 | -179.1 | 178 | 156.1 | -172.1 | 0 | 119.8 | ||||
| 102 | K | 67.9 | Low | 58.4 | Low | 198 Ų | 198 | 169 Ų | 169 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -165.2 | 118.4 | 134.9 | -159.6 | 149.4 | 174.1 | 178.9 | 0 | 116.3 | ||||
| 103 | K | 59.6 | Low | 58.8 | Low | 189 Ų | 189 | 173.1 Ų | 173.1 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | trans | 27.4 | 127.6 | 142 | -169.7 | 164.8 | -175.7 | -178.9 | 0 | 121.7 | ||||
| 104 | S | 63.6 | Low | 59.6 | Low | 100 Ų | 100 | 176.2 Ų | 176.2 | 70% | 0.699 | 84% | 0.843 | S | S | * | * | -162.3 | 123.1 | 117.5 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 105 | K | 63.7 | Low | 60.1 | Low | 196 Ų | 196 | 174.9 Ų | 174.9 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | trans | -108.9 | 119 | 163 | -166.2 | 179.4 | -171.7 | 173.3 | 0 | 105.2 | ||||
| 106 | R | 68.5 | Low | 60.8 | Low | 232 Ų | 232 | 174.9 Ų | 174.9 | 88% | 0.875 | 84% | 0.839 | S | S | * | * | trans | -137.7 | 116.2 | 162.9 | -69.7 | -167.7 | -175.8 | -133.8 | 3.4 | 108.8 | ||||
| 107 | H | 62 | Low | 61.5 | Low | 163 Ų | 163 | 170.7 Ų | 170.7 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -77 | 139.7 | 164.5 | -148.9 | -118.5 | 0 | 0 | 0 | 107.1 | ||||
| 108 | K | 63.9 | Low | 62.5 | Low | 204 Ų | 204 | 176.7 Ų | 176.7 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | trans | -125.1 | 106.5 | 158.7 | -93.2 | -82.8 | -178.2 | 172.4 | 0 | 105.5 | ||||
| 109 | E | 60.4 | Low | 63.2 | Low | 160 Ų | 160 | 178.9 Ų | 178.9 | 75% | 0.748 | 85% | 0.849 | S | S | * | * | trans | -68.4 | 139.7 | 163.4 | -158.5 | 172.3 | 100.4 | 0 | 0 | 107.6 | ||||
| 110 | D | 58.5 | Low | 63.4 | Low | 149 Ų | 149 | 184.9 Ų | 184.9 | 80% | 0.797 | 86% | 0.857 | S | S | * | * | trans | -83.5 | 130.1 | 177.8 | -174.4 | -115.9 | 0 | 0 | 0 | 109.1 | ||||
| 111 | P | 66.8 | Low | 63.3 | Low | 184 Ų | 184 | 179.8 Ų | 179.8 | 100% | 1.195 | 85% | 0.852 | S | S | * | * | trans | -95.3 | 0 | 159.2 | 33.4 | -28.4 | 0 | 0 | 0 | 112.6 |
Retrieved 111 of 111 residues in 84.6 ms
(Link to these results)