| 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 | 60 | Low | 83.8 | Confident | 204 Ų | 204 | 126.3 Ų | 126.3 | 100% | 1.005 | 60% | 0.601 | S | S | * | * | 0 | -39.5 | 0 | -140.8 | 106.2 | 83.3 | 0 | 0 | 113.2 | G3 Y4 | M1-G3 PolarHBondContact O-N 2.54Å; M1-Y4 PolarHBondContact O-N 3.25Å | |||
| 2 | N | 77.4 | Confident | 84.1 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67 | -30.9 | -169.6 | -62.6 | -3.6 | 0 | 0 | 0 | 116 | Y4 I5 Q6 | N2-Y4 PolarHBondContact O-N 3.08Å; N2-I5 PolarHBondContact O-N 3.36Å; N2-Q6 PolarHBondContact O-N 3.44Å |
| 3 | G | 77.6 | Confident | 84.4 | Confident | 38 Ų | 38 | 120 Ų | 120 | 39% | 0.392 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 I5 Q6 Y7 | M1-G3 PolarHBondContact O-N 2.54Å; G3-I5 PolarHBondContact O-N 2.85Å; G3-Q6 PolarHBondContact O-N 3.3Å; G3-Y7 WeakPolarHBondContact O-CD2 3.46Å; G3-Y7 PolarHBondContact O-N 2.81Å |
| 4 | Y | 86.7 | Confident | 84.5 | Confident | 173 Ų | 173 | 116.4 Ų | 116.4 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.4 | -37.1 | 179.5 | -174.8 | -110.2 | 0 | 0 | 0 | 112.6 | M1 N2 Q6 Y7 I8 | M1-Y4 PolarHBondContact O-N 3.25Å; N2-Y4 PolarHBondContact O-N 3.08Å; Y4-Q6 VanDerWaalsContact C-N 3.34Å; Y4-Q6 PolarHBondContact O-N 3.47Å; Y4-Y7 PolarHBondContact O-N 3.08Å; Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.31Å; Y4-I8 HydrophobicContact CE1-CG1 4.19Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.13Å |
| 5 | I | 86.5 | Confident | 84.4 | Confident | 84 Ų | 84 | 113.5 Ų | 113.5 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -40.2 | 177.5 | -57.9 | 173.3 | 0 | 0 | 0 | 110.5 | N2 G3 Y7 I8 I9 | N2-I5 PolarHBondContact O-N 3.36Å; G3-I5 PolarHBondContact O-N 2.85Å; I5-Y7 PolarHBondContact O-N 3.39Å; I5-I8 PolarHBondContact O-N 3.48Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 2.77Å |
| 6 | Q | 85.3 | Confident | 84 | Confident | 146 Ų | 146 | 111.5 Ų | 111.5 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.9 | -40.8 | 175.8 | -73.7 | -170.8 | -39.1 | 0 | 0 | 112.5 | N2 G3 Y4 I9 L10 | N2-Q6 PolarHBondContact O-N 3.44Å; G3-Q6 PolarHBondContact O-N 3.3Å; Y4-Q6 VanDerWaalsContact C-N 3.34Å; Y4-Q6 PolarHBondContact O-N 3.47Å; Q6-I9 PolarHBondContact O-N 3.29Å; Q6-L10 WeakPolarHBondContact O-CB 3.14Å; Q6-L10 PolarHBondContact O-N 3.25Å |
| 7 | Y | 88.9 | Confident | 83.4 | Confident | 168 Ų | 168 | 112.4 Ų | 112.4 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -40.2 | 176.4 | -72.6 | -69.7 | 0 | 0 | 0 | 112.7 | G3 Y4 I5 L10 W11 | G3-Y7 WeakPolarHBondContact O-CD2 3.46Å; G3-Y7 PolarHBondContact O-N 2.81Å; Y4-Y7 PolarHBondContact O-N 3.08Å; I5-Y7 PolarHBondContact O-N 3.39Å; Y7-L10 PolarHBondContact O-N 3.03Å; Y7-W11 WeakPolarHBondContact O-CB 2.98Å; Y7-W11 PolarHBondContact O-N 3.28Å |
| 8 | I | 90.2 | Very high | 82.7 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.7 | -45.5 | 176.3 | -68.2 | 168.3 | 0 | 0 | 0 | 110.6 | Y4 I5 L10 W11 L12 | Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.31Å; Y4-I8 HydrophobicContact CE1-CG1 4.19Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.13Å; I5-I8 PolarHBondContact O-N 3.48Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.99Å; I8-W11 PolarHBondContact O-N 3.2Å; I8-L12 HydrophobicContact CG2-CD1 4.06Å; I8-L12 HydrophobicContact CG2-CG 4.41Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.22Å |
| 9 | I | 89.2 | Confident | 81.8 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -45.3 | 179 | -66.2 | 167.3 | 0 | 0 | 0 | 110.3 | I5 Q6 W11 L12 V13 | I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 2.77Å; Q6-I9 PolarHBondContact O-N 3.29Å; I9-W11 VanDerWaalsContact C-N 3.32Å; I9-W11 PolarHBondContact O-N 3.18Å; I9-L12 PolarHBondContact O-N 2.7Å; I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 3.02Å |
| 10 | L | 89.8 | Confident | 80.9 | Confident | 111 Ų | 111 | 109.2 Ų | 109.2 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.3 | -41.8 | 178.2 | -171.6 | 69.8 | 0 | 0 | 0 | 111.7 | Q6 Y7 I8 V13 C14 | Q6-L10 WeakPolarHBondContact O-CB 3.14Å; Q6-L10 PolarHBondContact O-N 3.25Å; Y7-L10 PolarHBondContact O-N 3.03Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.99Å; L10-V13 PolarHBondContact O-N 3.19Å; L10-C14 PolarHBondContact O-N 2.03Å |
| 11 | W | 90.5 | Very high | 79.9 | Confident | 168 Ų | 168 | 111.4 Ų | 111.4 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -42.7 | 177.5 | -173 | 76.6 | 0 | 0 | 0 | 112.3 | Y7 I8 I9 V13 C14 I15 | Y7-W11 WeakPolarHBondContact O-CB 2.98Å; Y7-W11 PolarHBondContact O-N 3.28Å; I8-W11 PolarHBondContact O-N 3.2Å; I9-W11 VanDerWaalsContact C-N 3.32Å; I9-W11 PolarHBondContact O-N 3.18Å; W11-V13 PolarHBondContact O-N 2.9Å; W11-C14 WeakPolarHBondContact O-CB 3.18Å; W11-C14 PolarHBondContact O-N 3.05Å; W11-I15 HydrophobicContact CD2-CD1 3.71Å; W11-I15 HydrophobicContact CD2-CG1 4.49Å; W11-I15 HydrophobicContact CE3-CD1 3.5Å; W11-I15 HydrophobicContact CH2-CD1 3.37Å; W11-I15 HydrophobicContact CZ2-CD1 3.57Å; W11-I15 HydrophobicContact CZ3-CD1 3.33Å; W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.06Å |
| 12 | L | 87.2 | Confident | 79.9 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 176.4 | -69.9 | 174.2 | 0 | 0 | 0 | 112.3 | I8 I9 C14 I15 T16 | I8-L12 HydrophobicContact CG2-CD1 4.06Å; I8-L12 HydrophobicContact CG2-CG 4.41Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.22Å; I9-L12 PolarHBondContact O-N 2.7Å; L12-C14 VanDerWaalsContact C-N 3.33Å; L12-I15 PolarHBondContact O-N 3.49Å; L12-T16 WeakPolarHBondContact O-CG2 3.18Å; L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.21Å |
| 13 | V | 88.6 | Confident | 79 | Confident | 82 Ų | 82 | 106 Ų | 106 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -38.5 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I9 L10 W11 T16 L17 | I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 3.02Å; L10-V13 PolarHBondContact O-N 3.19Å; W11-V13 PolarHBondContact O-N 2.9Å; V13-T16 PolarHBondContact O-OG1 2.92Å; V13-T16 VanDerWaalsContact O-OG1 3.12Å; V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3Å |
| 14 | C | 84.9 | Confident | 78.2 | Confident | 70 Ų | 70 | 112.8 Ų | 112.8 | 47% | 0.473 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.1 | -43.4 | 173.4 | -76.9 | 0 | 0 | 0 | 0 | 112 | L10 W11 L12 L17 T18 | L10-C14 PolarHBondContact O-N 2.03Å; W11-C14 WeakPolarHBondContact O-CB 3.18Å; W11-C14 PolarHBondContact O-N 3.05Å; L12-C14 VanDerWaalsContact C-N 3.33Å; C14-L17 PolarHBondContact O-N 3.42Å; C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.31Å; C14-T18 PolarHBondContact O-OG1 3.37Å |
| 15 | I | 83.2 | Confident | 76.7 | Confident | 72 Ų | 72 | 113.1 Ų | 113.1 | 37% | 0.369 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.2 | -47.6 | 178.8 | -67.4 | 171.2 | 0 | 0 | 0 | 111 | W11 L12 L17 T18 S19 | W11-I15 HydrophobicContact CD2-CD1 3.71Å; W11-I15 HydrophobicContact CD2-CG1 4.49Å; W11-I15 HydrophobicContact CE3-CD1 3.5Å; W11-I15 HydrophobicContact CH2-CD1 3.37Å; W11-I15 HydrophobicContact CZ2-CD1 3.57Å; W11-I15 HydrophobicContact CZ3-CD1 3.33Å; W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.06Å; L12-I15 PolarHBondContact O-N 3.49Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 2.89Å; I15-T18 WeakPolarHBondContact CA-OG1 3.23Å; I15-T18 PolarHBondContact O-N 3.16Å; I15-T18 PolarHBondContact O-OG1 2.98Å; I15-S19 PolarHBondContact O-N 2.03Å |
| 16 | T | 77.8 | Confident | 75.3 | Confident | 82 Ų | 82 | 113.1 Ų | 113.1 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -38.9 | -180 | 57 | 0 | 0 | 0 | 0 | 111.3 | L12 V13 T18 S19 V20 | L12-T16 WeakPolarHBondContact O-CG2 3.18Å; L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.21Å; V13-T16 PolarHBondContact O-OG1 2.92Å; V13-T16 VanDerWaalsContact O-OG1 3.12Å; T16-T18 VanDerWaalsContact C-N 3.31Å; T16-T18 PolarHBondContact O-N 2.02Å; T16-S19 WeakPolarHBondContact CA-OG 3.06Å; T16-S19 PolarHBondContact O-N 3.2Å; T16-S19 VanDerWaalsContact O-N 3.14Å; T16-S19 PolarHBondContact O-OG 3.35Å; T16-V20 PolarHBondContact O-N 2.79Å |
| 17 | L | 73.9 | Confident | 73.9 | Confident | 126 Ų | 126 | 110.8 Ų | 110.8 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -38.2 | 174.8 | -171.7 | 62.7 | 0 | 0 | 0 | 112.3 | V13 C14 I15 | V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3Å; C14-L17 PolarHBondContact O-N 3.42Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 2.89Å |
| 18 | T | 71.9 | Confident | 72.2 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -32 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | C14 I15 T16 L21 S22 | C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.31Å; C14-T18 PolarHBondContact O-OG1 3.37Å; I15-T18 WeakPolarHBondContact CA-OG1 3.23Å; I15-T18 PolarHBondContact O-N 3.16Å; I15-T18 PolarHBondContact O-OG1 2.98Å; T16-T18 VanDerWaalsContact C-N 3.31Å; T16-T18 PolarHBondContact O-N 2.02Å; T18-L21 PolarHBondContact O-N 3.4Å; T18-S22 PolarHBondContact O-OG 2.04Å |
| 19 | S | 65.1 | Low | 70.4 | Confident | 65 Ų | 65 | 112.1 Ų | 112.1 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.6 | -33.4 | 179 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | I15 T16 L21 S22 | I15-S19 PolarHBondContact O-N 2.03Å; T16-S19 WeakPolarHBondContact CA-OG 3.06Å; T16-S19 PolarHBondContact O-N 3.2Å; T16-S19 VanDerWaalsContact O-N 3.14Å; T16-S19 PolarHBondContact O-OG 3.35Å; S19-L21 PolarHBondContact O-N 2.95Å; S19-S22 PolarHBondContact O-N 2.88Å |
| 20 | V | 63.8 | Low | 68.9 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 74% | 0.739 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -24 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | T16 S22 | T16-V20 PolarHBondContact O-N 2.79Å; V20-S22 VanDerWaalsContact C-N 3.34Å |
| 21 | L | 60.3 | Low | 68 | Low | 155 Ų | 155 | 117.3 Ų | 117.3 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -2 | -179 | -141.9 | 76.2 | 0 | 0 | 0 | 114.3 | T18 S19 | T18-L21 PolarHBondContact O-N 3.4Å; S19-L21 PolarHBondContact O-N 2.95Å |
| 22 | S | 59.4 | Low | 67.6 | Low | 84 Ų | 84 | 112.2 Ų | 112.2 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | trans | -116.9 | 28.3 | -164.6 | -53.5 | 0 | 0 | 0 | 0 | 114.5 | T18 S19 V20 | T18-S22 PolarHBondContact O-OG 2.04Å; S19-S22 PolarHBondContact O-N 2.88Å; V20-S22 VanDerWaalsContact C-N 3.34Å | ||
| 23 | N | 58.1 | Low | 67.4 | Low | 137 Ų | 137 | 108 Ų | 108 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | trans | -128.7 | 37.3 | 174.6 | -58.6 | -10.8 | 0 | 0 | 0 | 112.6 | E25 | N23-E25 VanDerWaalsContact C-N 3.26Å; N23-E25 PolarHBondContact O-N 3.37Å | ||
| 24 | E | 60.5 | Low | 67.3 | Low | 180 Ų | 180 | 108.8 Ų | 108.8 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | trans | -86.4 | 90.9 | 143.1 | -73.5 | -169.4 | 112.9 | 0 | 0 | 104.9 | V26 | E24-V26 WeakPolarHBondContact O-CG2 3.41Å; E24-V26 PolarHBondContact O-N 3.24Å | ||
| 25 | E | 55.9 | Low | 67.5 | Low | 180 Ų | 180 | 109.4 Ų | 109.4 | 84% | 0.841 | 59% | 0.585 | S | S | * | * | trans | -48.5 | 88.1 | 158.5 | 35.8 | -176.7 | 111.8 | 0 | 0 | 107.4 | N23 D27 | N23-E25 VanDerWaalsContact C-N 3.26Å; N23-E25 PolarHBondContact O-N 3.37Å; E25-D27 PolarHBondContact O-N 2.88Å | ||
| 26 | V | 56.8 | Low | 67.6 | Low | 85 Ų | 85 | 111.4 Ų | 111.4 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | trans | -65.5 | 96 | 165.7 | -162.1 | 0 | 0 | 0 | 0 | 103.1 | E24 Q28 | E24-V26 WeakPolarHBondContact O-CG2 3.41Å; E24-V26 PolarHBondContact O-N 3.24Å; V26-Q28 HydrophobicContact CB-CG 3.79Å; V26-Q28 HydrophobicContact CG1-CB 4.42Å; V26-Q28 HydrophobicContact CG1-CG 3.18Å; V26-Q28 PolarHBondContact O-N 3.47Å | ||
| 27 | D | 55.5 | Low | 68 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | trans | -61.4 | 67.2 | 157.6 | 178 | 53.9 | 0 | 0 | 0 | 106.9 | E25 Q29 R45 | E25-D27 PolarHBondContact O-N 2.88Å; D27-Q29 PolarHBondContact O-N 3.36Å; D27-R45 IonicContact OD2-CZ 3.88Å; D27-R45 IonicContact OD2-NH2 2.9Å; D27-R45 PolarHBondContact OD2-NH2 2.64Å | ||
| 28 | Q | 53.7 | Low | 68.4 | Low | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | trans | -72.1 | 115.6 | 155 | -58.8 | -150.8 | -25.5 | 0 | 0 | 102.8 | V26 | V26-Q28 HydrophobicContact CB-CG 3.79Å; V26-Q28 HydrophobicContact CG1-CB 4.42Å; V26-Q28 HydrophobicContact CG1-CG 3.18Å; V26-Q28 PolarHBondContact O-N 3.47Å | ||
| 29 | Q | 52.9 | Low | 69 | Low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | S | Bend | 140.1 | 106.5 | 121.9 | -157.7 | 146.6 | 3.5 | 0 | 0 | 108.9 | D27 | D27-Q29 PolarHBondContact O-N 3.36Š| |
| 30 | K | 56.3 | Low | 69.7 | Low | 208 Ų | 208 | 104.1 Ų | 104.1 | 90% | 0.904 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 97.4 | 8.5 | 150.5 | -136.3 | 179.7 | -172.9 | -173.2 | 0 | 119 | ||
| 31 | V | 72.3 | Confident | 69.7 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 66% | 0.661 | 53% | 0.534 | S | S | * | . | trans | -102.1 | 112.1 | 165.6 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | C | 82.6 | Confident | 70.1 | Confident | 60 Ų | 60 | 100.7 Ų | 100.7 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | trans | -70.9 | 147.6 | 167 | 61.1 | 0 | 0 | 0 | 0 | 108.6 | R46 C48 | C32-R46 CarbonylContact C-O 3.54Å; C32-R46 WeakPolarHBondContact CA-O 3.11Å; C32-R46 WeakPolarHBondContact CB-O 3.03Å; C32-C48 HydrophobicContact CB-CB 3.89Å; C32-C48 WeakPolarHBondContact CB-SG 3.43Å; C32-C48 PolarHBondContact O-SG 3.39Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.08Å; C32-C48 CovalentContact SG-SG 2.03Å; C32-C48 PolarHBondContact SG-SG 2.03Å | ||
| 33 | S | 82.2 | Confident | 70.1 | Confident | 2 Ų | 2 | 100.9 Ų | 100.9 | 1% | 0.014 | 52% | 0.518 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 133.6 | -177.3 | -71.2 | 0 | 0 | 0 | 0 | 111.5 | E37 S38 R46 C47 C48 C61 | S33-E37 WeakPolarHBondContact CA-OE2 3.33Å; S33-S38 PolarHBondContact OG-O 2.89Å; S33-R46 PolarHBondContact N-O 3.23Å; S33-C47 WeakPolarHBondContact O-CA 3.08Å; S33-C48 PolarHBondContact O-N 3.06Å; S33-C61 VanDerWaalsContact CB-SG 3.54Å |
| 34 | N | 86.9 | Confident | 70.3 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | trans | -78.7 | -177 | 178.7 | -146.4 | -83.9 | 0 | 0 | 0 | 111.9 | N36 E37 C61 | N34-N36 PolarHBondContact O-N 3.29Å; N34-E37 HydrophobicContact CB-CG 4.24Å; N34-E37 PolarHBondContact N-OE2 3.16Å; N34-E37 WeakPolarHBondContact O-CB 3.49Å; N34-E37 PolarHBondContact O-N 2.76Å; N34-E37 VanDerWaalsContact O-N 3.16Å; N34-C61 VanDerWaalsContact O-CB 3.28Å; N34-C61 WeakPolarHBondContact O-CB 3.02Å | ||
| 35 | L | 87.7 | Confident | 70.5 | Confident | 83 Ų | 83 | 98.3 Ų | 98.3 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.5 | 179.8 | -172.5 | 68.5 | 0 | 0 | 0 | 111.1 | E37 L51 E63 | L35-E37 PolarHBondContact O-N 2.8Å; L35-L51 HydrophobicContact CB-CD2 3.96Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; L35-E63 HydrophobicContact CD1-CB 4.32Å |
| 36 | N | 85.8 | Confident | 71.6 | Confident | 115 Ų | 115 | 99 Ų | 99 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 9.1 | -175.9 | -59.9 | -54.6 | 0 | 0 | 0 | 116.1 | N34 C61 | N34-N36 PolarHBondContact O-N 3.29Å; N36-C61 WeakPolarHBondContact CA-O 3.36Å; N36-C61 PolarHBondContact N-O 3.17Å |
| 37 | E | 86.4 | Confident | 72.9 | Confident | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | trans | -82.3 | 154.8 | 173.8 | -68.7 | -169.3 | 165.8 | 0 | 0 | 112.4 | S33 N34 L35 C39 T60 C61 | S33-E37 WeakPolarHBondContact CA-OE2 3.33Å; N34-E37 HydrophobicContact CB-CG 4.24Å; N34-E37 PolarHBondContact N-OE2 3.16Å; N34-E37 WeakPolarHBondContact O-CB 3.49Å; N34-E37 PolarHBondContact O-N 2.76Å; N34-E37 VanDerWaalsContact O-N 3.16Å; L35-E37 PolarHBondContact O-N 2.8Å; E37-C39 PolarHBondContact O-N 2.93Å; E37-T60 CarbonylContact O-C 3.56Å; E37-T60 VanDerWaalsContact O-CA 3.29Å; E37-T60 WeakPolarHBondContact O-CA 3.37Å; E37-C61 PolarHBondContact O-N 3.32Å | ||
| 38 | S | 82.7 | Confident | 74.4 | Confident | 88 Ų | 88 | 91.9 Ų | 91.9 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.4 | -179.5 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | S33 G59 | S33-S38 PolarHBondContact OG-O 2.89Å; S38-G59 CarbonylContact C-O 3.57Å; S38-G59 WeakPolarHBondContact CA-O 3.31Å |
| 39 | C | 84.3 | Confident | 75.9 | Confident | 3 Ų | 3 | 95 Ų | 95 | 2% | 0.02 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 152.7 | 175.1 | 60 | 0 | 0 | 0 | 0 | 111.6 | E37 C53 T58 G59 T60 | E37-C39 PolarHBondContact O-N 2.93Å; C39-C53 HydrophobicContact CB-CB 3.88Å; C39-C53 WeakPolarHBondContact CB-SG 3.03Å; C39-C53 WeakPolarHBondContact SG-CA 3.33Å; C39-C53 WeakPolarHBondContact SG-CB 3.45Å; C39-C53 CovalentContact SG-SG 2.02Å; C39-C53 PolarHBondContact SG-SG 2.77Å; C39-T58 CarbonylContact O-C 3.47Å; C39-T58 WeakPolarHBondContact O-CA 3.01Å; C39-G59 PolarHBondContact N-O 3.37Å; C39-G59 PolarHBondContact O-N 3.18Å; C39-G59 PolarHBondContact SG-O 2.89Å; C39-T60 VanDerWaalsContact SG-C 3.57Å |
| 40 | S | 78.7 | Confident | 77.4 | Confident | 26 Ų | 26 | 96.2 Ų | 96.2 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.4 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | I42 L43 F57 | S40-I42 VanDerWaalsContact C-N 3.33Å; S40-L43 PolarHBondContact OG-N 3.16Å; S40-F57 WeakPolarHBondContact CA-O 3.49Å |
| 41 | R | 65.8 | Low | 78.9 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.2 | 178.6 | -78.8 | -171.8 | 179.7 | -153.5 | -4.7 | 112.7 | G55 F57 | R41-G55 PolarHBondContact NE-O 2.83Å; R41-F57 PolarHBondContact N-O 2.02Å |
| 42 | I | 67.6 | Low | 79.6 | Confident | 114 Ų | 114 | 84.1 Ų | 84.1 | 59% | 0.585 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -35.8 | -174.7 | -61 | 176.2 | 0 | 0 | 0 | 110.8 | S40 F57 | S40-I42 VanDerWaalsContact C-N 3.33Å; I42-F57 HydrophobicContact CD1-CD1 3.58Å; I42-F57 HydrophobicContact CD1-CE1 4.03Å; I42-F57 HydrophobicContact CG1-CD1 4.43Å |
| 43 | L | 60.5 | Low | 79.9 | Confident | 89 Ų | 89 | 82.6 Ų | 82.6 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 80 | -174.1 | -62.6 | 173.5 | 0 | 0 | 0 | 110.5 | S40 R45 | S40-L43 PolarHBondContact OG-N 3.16Å; L43-R45 PolarHBondContact O-N 3.28Å |
| 44 | F | 60.9 | Low | 80.2 | Confident | 157 Ų | 157 | 85 Ų | 85 | 69% | 0.689 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.3 | 6.1 | 160.1 | -56.1 | -76.5 | 0 | 0 | 0 | 122.2 | R46 | F44-R46 PolarHBondContact O-N 3.41Š|
| 45 | R | 65.4 | Low | 80.1 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 86.5 | 174 | -72.2 | -161.7 | 178.4 | -137.3 | -7.2 | 109.5 | D27 L43 | D27-R45 IonicContact OD2-CZ 3.88Å; D27-R45 IonicContact OD2-NH2 2.9Å; D27-R45 PolarHBondContact OD2-NH2 2.64Å; L43-R45 PolarHBondContact O-N 3.28Å |
| 46 | R | 78 | Confident | 79.7 | Confident | 195 Ų | 195 | 84 Ų | 84 | 74% | 0.736 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 141.4 | 172.3 | -64 | -176.3 | -177.3 | 165.4 | 1.7 | 109.3 | C32 S33 F44 | C32-R46 CarbonylContact C-O 3.54Å; C32-R46 WeakPolarHBondContact CA-O 3.11Å; C32-R46 WeakPolarHBondContact CB-O 3.03Å; S33-R46 PolarHBondContact N-O 3.23Å; F44-R46 PolarHBondContact O-N 3.41Å |
| 47 | C | 85.8 | Confident | 79.3 | Confident | 19 Ų | 19 | 85.1 Ų | 85.1 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 148.5 | 167.4 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | S33 L51 C61 | S33-C47 WeakPolarHBondContact O-CA 3.08Å; C47-L51 HydrophobicContact CB-CB 3.46Å; C47-L51 VanDerWaalsContact CB-CB 3.46Å; C47-L51 WeakPolarHBondContact CB-O 3.41Å; C47-C61 WeakPolarHBondContact CA-SG 2.95Å; C47-C61 HydrophobicContact CB-CB 3.7Å; C47-C61 WeakPolarHBondContact CB-SG 3.02Å; C47-C61 WeakPolarHBondContact SG-CA 3.21Å; C47-C61 WeakPolarHBondContact SG-CB 3.48Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 3.05Å |
| 48 | C | 86.7 | Confident | 79.1 | Confident | 14 Ų | 14 | 86.1 Ų | 86.1 | 10% | 0.095 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -67 | 149.9 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | C32 S33 K50 L51 | C32-C48 HydrophobicContact CB-CB 3.89Å; C32-C48 WeakPolarHBondContact CB-SG 3.43Å; C32-C48 PolarHBondContact O-SG 3.39Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.08Å; C32-C48 CovalentContact SG-SG 2.03Å; C32-C48 PolarHBondContact SG-SG 2.03Å; S33-C48 PolarHBondContact O-N 3.06Å; C48-K50 PolarHBondContact O-N 2.87Å; C48-L51 WeakPolarHBondContact O-CB 3.44Å; C48-L51 WeakPolarHBondContact O-CD1 3Å; C48-L51 PolarHBondContact O-N 3.47Å |
| 49 | D | 84.1 | Confident | 79.3 | Confident | 166 Ų | 166 | 82.6 Ų | 82.6 | 89% | 0.888 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -115 | 168.7 | -57.2 | -53.2 | 0 | 0 | 0 | 115.7 | ||
| 50 | K | 84.2 | Confident | 79.6 | Confident | 191 Ų | 191 | 84.8 Ų | 84.8 | 83% | 0.83 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 5.1 | -178.4 | -65.1 | -174.9 | -178.5 | -178.9 | 0 | 113.1 | C48 | C48-K50 PolarHBondContact O-N 2.87Š|
| 51 | L | 88.4 | Confident | 80.1 | Confident | 41 Ų | 41 | 83.6 Ų | 83.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | trans | -72 | 149.7 | -179.7 | -73.2 | 91.2 | 0 | 0 | 0 | 111 | L35 C47 C48 C61 V62 | L35-L51 HydrophobicContact CB-CD2 3.96Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; C47-L51 HydrophobicContact CB-CB 3.46Å; C47-L51 VanDerWaalsContact CB-CB 3.46Å; C47-L51 WeakPolarHBondContact CB-O 3.41Å; C48-L51 WeakPolarHBondContact O-CB 3.44Å; C48-L51 WeakPolarHBondContact O-CD1 3Å; C48-L51 PolarHBondContact O-N 3.47Å; L51-C61 HydrophobicContact CB-CB 4.42Å; L51-C61 HydrophobicContact CD2-CB 3.99Å; L51-V62 WeakPolarHBondContact CA-O 3.42Å | ||
| 52 | V | 87.8 | Confident | 81.4 | Confident | 22 Ų | 22 | 80 Ų | 80 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.9 | -171.3 | -78.6 | 0 | 0 | 0 | 0 | 109.7 | Q54 V62 L65 D76 | V52-Q54 PolarHBondContact O-N 2.96Å; V52-V62 HydrophobicContact CG2-CG2 4.18Å; V52-V62 WeakPolarHBondContact CG2-O 3Å; V52-V62 PolarHBondContact N-O 2.66Å; V52-V62 PolarHBondContact O-N 3.48Å; V52-L65 HydrophobicContact CB-CD1 3.54Å; V52-L65 HydrophobicContact CG2-CD1 3.11Å; V52-D76 HydrophobicContact CB-CB 4.47Å; V52-D76 HydrophobicContact CG1-CB 3.83Å |
| 53 | C | 88.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 82 Ų | 82 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.4 | -175.9 | -180 | 0 | 0 | 0 | 0 | 110.7 | C39 G55 | C39-C53 HydrophobicContact CB-CB 3.88Å; C39-C53 WeakPolarHBondContact CB-SG 3.03Å; C39-C53 WeakPolarHBondContact SG-CA 3.33Å; C39-C53 WeakPolarHBondContact SG-CB 3.45Å; C39-C53 CovalentContact SG-SG 2.02Å; C39-C53 PolarHBondContact SG-SG 2.77Å; C53-G55 PolarHBondContact O-N 2.8Å |
| 54 | Q | 88.9 | Confident | 83.9 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 97 | 178.2 | -178.6 | -172.4 | -46.8 | 0 | 0 | 110.7 | V52 G59 T60 V62 K69 | V52-Q54 PolarHBondContact O-N 2.96Å; Q54-G59 WeakPolarHBondContact O-CA 2.97Å; Q54-T60 WeakPolarHBondContact CB-O 3.46Å; Q54-T60 PolarHBondContact N-O 3.2Å; Q54-T60 PolarHBondContact O-N 3.43Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; Q54-K69 HydrophobicContact CG-CD 4.12Å |
| 55 | G | 84 | Confident | 85.4 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 163.7 | 167.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R41 C53 | R41-G55 PolarHBondContact NE-O 2.83Å; C53-G55 PolarHBondContact O-N 2.8Å |
| 56 | F | 79.5 | Confident | 86.5 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -84.1 | -42.7 | 176.4 | -74.7 | -86.2 | 0 | 0 | 0 | 112.6 | L70 | F56-L70 HydrophobicContact CD1-CD2 3.85Å; F56-L70 HydrophobicContact CE1-CD1 3.71Å; F56-L70 HydrophobicContact CE1-CD2 3.77Å; F56-L70 HydrophobicContact CE1-CG 4.35Å; F56-L70 HydrophobicContact CZ-CD1 3.82Å; F56-L70 HydrophobicContact CZ-CD2 4.4Å |
| 57 | F | 77.6 | Confident | 87.1 | Confident | 140 Ų | 140 | 64.1 Ų | 64.1 | 61% | 0.614 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -127.6 | -58.3 | -175.5 | -69.4 | -73.1 | 0 | 0 | 0 | 110.8 | S40 R41 I42 | S40-F57 WeakPolarHBondContact CA-O 3.49Å; R41-F57 PolarHBondContact N-O 2.02Å; I42-F57 HydrophobicContact CD1-CD1 3.58Å; I42-F57 HydrophobicContact CD1-CE1 4.03Å; I42-F57 HydrophobicContact CG1-CD1 4.43Å |
| 58 | T | 81.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 69 Ų | 69 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150.2 | 165.9 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | C39 | C39-T58 CarbonylContact O-C 3.47Å; C39-T58 WeakPolarHBondContact O-CA 3.01Å |
| 59 | G | 87.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | -170.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S38 C39 Q54 | S38-G59 CarbonylContact C-O 3.57Å; S38-G59 WeakPolarHBondContact CA-O 3.31Å; C39-G59 PolarHBondContact N-O 3.37Å; C39-G59 PolarHBondContact O-N 3.18Å; C39-G59 PolarHBondContact SG-O 2.89Å; Q54-G59 WeakPolarHBondContact O-CA 2.97Å |
| 60 | T | 89.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.2 | 171 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | E37 C39 Q54 V62 | E37-T60 CarbonylContact O-C 3.56Å; E37-T60 VanDerWaalsContact O-CA 3.29Å; E37-T60 WeakPolarHBondContact O-CA 3.37Å; C39-T60 VanDerWaalsContact SG-C 3.57Å; Q54-T60 WeakPolarHBondContact CB-O 3.46Å; Q54-T60 PolarHBondContact N-O 3.2Å; Q54-T60 PolarHBondContact O-N 3.43Å; T60-V62 PolarHBondContact O-N 2.9Å |
| 61 | C | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.4 | 172 | -68.2 | 0 | 0 | 0 | 0 | 110 | S33 N34 N36 E37 C47 L51 | S33-C61 VanDerWaalsContact CB-SG 3.54Å; N34-C61 VanDerWaalsContact O-CB 3.28Å; N34-C61 WeakPolarHBondContact O-CB 3.02Å; N36-C61 WeakPolarHBondContact CA-O 3.36Å; N36-C61 PolarHBondContact N-O 3.17Å; E37-C61 PolarHBondContact O-N 3.32Å; C47-C61 WeakPolarHBondContact CA-SG 2.95Å; C47-C61 HydrophobicContact CB-CB 3.7Å; C47-C61 WeakPolarHBondContact CB-SG 3.02Å; C47-C61 WeakPolarHBondContact SG-CA 3.21Å; C47-C61 WeakPolarHBondContact SG-CB 3.48Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 3.05Å; L51-C61 HydrophobicContact CB-CB 4.42Å; L51-C61 HydrophobicContact CD2-CB 3.99Å |
| 62 | V | 91.5 | Very high | 87.7 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 157.1 | 176.2 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | L51 V52 Q54 T60 L65 | L51-V62 WeakPolarHBondContact CA-O 3.42Å; V52-V62 HydrophobicContact CG2-CG2 4.18Å; V52-V62 WeakPolarHBondContact CG2-O 3Å; V52-V62 PolarHBondContact N-O 2.66Å; V52-V62 PolarHBondContact O-N 3.48Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; T60-V62 PolarHBondContact O-N 2.9Å; V62-L65 HydrophobicContact CG2-CD1 4.04Å |
| 63 | E | 91.3 | Very high | 87.7 | Confident | 155 Ų | 155 | 69.3 Ų | 69.3 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -69.1 | -42.2 | 176 | -175.9 | 177.3 | -171.9 | 0 | 0 | 111.4 | L35 | L35-E63 HydrophobicContact CD1-CB 4.32Š|
| 64 | C | 90.4 | Very high | 87.6 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -144 | 147.3 | 176.4 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | D76 C78 | C64-D76 WeakPolarHBondContact CA-O 3.19Å; C64-C78 HydrophobicContact CB-CB 3.86Å; C64-C78 WeakPolarHBondContact CB-SG 3.2Å; C64-C78 WeakPolarHBondContact SG-CB 3.36Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.01Å |
| 65 | L | 91.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 127.8 | 178.3 | -89.4 | 69.2 | 0 | 0 | 0 | 110.4 | V52 V62 K69 L70 C71 D76 C77 C78 C87 | V52-L65 HydrophobicContact CB-CD1 3.54Å; V52-L65 HydrophobicContact CG2-CD1 3.11Å; V62-L65 HydrophobicContact CG2-CD1 4.04Å; L65-K69 HydrophobicContact CB-CB 3.94Å; L65-K69 HydrophobicContact CD2-CB 3.93Å; L65-K69 HydrophobicContact CG-CB 3.95Å; L65-L70 VanDerWaalsContact CD2-C 3.45Å; L65-L70 WeakPolarHBondContact CD2-O 3.19Å; L65-C71 HydrophobicContact CD2-CB 4.09Å; L65-D76 HydrophobicContact CD1-CB 4.47Å; L65-D76 PolarHBondContact N-O 3.48Å; L65-C77 WeakPolarHBondContact O-CA 3.44Å; L65-C78 PolarHBondContact O-N 3.14Å; L65-C78 PolarHBondContact O-SG 2.69Å; L65-C78 VanDerWaalsContact O-SG 3.37Å; L65-C87 WeakPolarHBondContact CB-SG 3.45Å |
| 66 | G | 89.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | trans | -67.2 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K69 C87 | G66-K69 VanDerWaalsContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CG 3.32Å; G66-K69 PolarHBondContact O-N 2.83Å; G66-C87 WeakPolarHBondContact O-CB 3.24Å | ||
| 67 | I | 89.8 | Confident | 88.3 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 143.5 | 179.9 | -54.2 | 166.4 | 0 | 0 | 0 | 110.4 | K69 E89 | I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.17Å; I67-E89 HydrophobicContact CD1-CB 4.06Å; I67-E89 HydrophobicContact CD1-CG 4.27Å; I67-E89 HydrophobicContact CG1-CB 4.46Å |
| 68 | N | 88.1 | Confident | 88.9 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 65% | 0.647 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.4 | -176.6 | -62.9 | -54.4 | 0 | 0 | 0 | 115.8 | H86 C87 | N68-H86 PolarHBondContact O-ND1 3.48Å; N68-C87 PolarHBondContact N-O 3.29Å |
| 69 | K | 89.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 59 Ų | 59 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | trans | -81.3 | 154.6 | 174.4 | -59.1 | -62.3 | -178.3 | 172.5 | 0 | 112 | Q54 L65 G66 I67 C71 H86 C87 | Q54-K69 HydrophobicContact CG-CD 4.12Å; L65-K69 HydrophobicContact CB-CB 3.94Å; L65-K69 HydrophobicContact CD2-CB 3.93Å; L65-K69 HydrophobicContact CG-CB 3.95Å; G66-K69 VanDerWaalsContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CG 3.32Å; G66-K69 PolarHBondContact O-N 2.83Å; I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.17Å; K69-C71 PolarHBondContact O-N 3.23Å; K69-H86 CarbonylContact O-C 3.57Å; K69-H86 VanDerWaalsContact O-CA 3.32Å; K69-H86 WeakPolarHBondContact O-CA 3.45Å; K69-C87 PolarHBondContact O-N 2.87Å | ||
| 70 | L | 88.9 | Confident | 89.2 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 103 | -172.8 | -154.4 | 85 | 0 | 0 | 0 | 111.9 | F56 L65 F85 | F56-L70 HydrophobicContact CD1-CD2 3.85Å; F56-L70 HydrophobicContact CE1-CD1 3.71Å; F56-L70 HydrophobicContact CE1-CD2 3.77Å; F56-L70 HydrophobicContact CE1-CG 4.35Å; F56-L70 HydrophobicContact CZ-CD1 3.82Å; F56-L70 HydrophobicContact CZ-CD2 4.4Å; L65-L70 VanDerWaalsContact CD2-C 3.45Å; L65-L70 WeakPolarHBondContact CD2-O 3.19Å; L70-F85 CarbonylContact C-O 3.09Å; L70-F85 VanDerWaalsContact CA-O 3.24Å; L70-F85 WeakPolarHBondContact CA-O 3.48Å |
| 71 | C | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | trans | -103.3 | 148.9 | -178 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | L65 K69 C77 C82 F85 H86 C87 | L65-C71 HydrophobicContact CD2-CB 4.09Å; K69-C71 PolarHBondContact O-N 3.23Å; C71-C77 WeakPolarHBondContact CB-SG 3.49Å; C71-C77 VanDerWaalsContact SG-SG 3.65Å; C71-C82 HydrophobicContact CB-CB 3.82Å; C71-C82 WeakPolarHBondContact CB-SG 3.4Å; C71-C82 PolarHBondContact O-SG 3.05Å; C71-C82 VanDerWaalsContact O-SG 3.4Å; C71-C82 WeakPolarHBondContact SG-CA 2.96Å; C71-C82 WeakPolarHBondContact SG-CB 3.38Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.01Å; C71-F85 PolarHBondContact N-O 2.97Å; C71-H86 PolarHBondContact SG-N 3Å; C71-C87 VanDerWaalsContact CB-SG 3.59Å; C71-C87 PolarHBondContact SG-N 2.82Å; C71-C87 VanDerWaalsContact SG-N 3.36Å | ||
| 72 | F | 86.5 | Confident | 89.3 | Confident | 142 Ų | 142 | 65.4 Ų | 65.4 | 62% | 0.623 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -100.1 | -38.1 | 167.3 | -79.8 | -68 | 0 | 0 | 0 | 111.6 | ||
| 73 | R | 86.8 | Confident | 89.2 | Confident | 177 Ų | 177 | 72.4 Ų | 72.4 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -124.4 | 148.3 | -179.7 | -155.3 | 171 | -178.6 | -176.9 | 0.7 | 110.5 | S75 D76 | R73-S75 WeakPolarHBondContact CD-OG 3.28Å; R73-S75 WeakPolarHBondContact CG-OG 3.4Å; R73-S75 PolarHBondContact O-N 2.92Å; R73-D76 WeakPolarHBondContact CB-OD2 3.46Å; R73-D76 PolarHBondContact N-OD2 3.26Å; R73-D76 VanDerWaalsContact O-CB 3.31Å; R73-D76 WeakPolarHBondContact O-CB 3.01Å; R73-D76 PolarHBondContact O-N 3.32Å |
| 74 | S | 87.4 | Confident | 89.2 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -61 | -30.3 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | D76 C77 G80 R81 C82 | S74-D76 PolarHBondContact O-N 3.34Å; S74-C77 PolarHBondContact O-N 3.29Å; S74-G80 WeakPolarHBondContact CB-O 3.21Å; S74-G80 CarbonylContact O-C 3.52Å; S74-G80 WeakPolarHBondContact O-CA 3.36Å; S74-R81 PolarHBondContact O-N 2.71Å; S74-C82 PolarHBondContact OG-N 3.43Å |
| 75 | S | 85.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -67.9 | -15.3 | 175.1 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | R73 C77 | R73-S75 WeakPolarHBondContact CD-OG 3.28Å; R73-S75 WeakPolarHBondContact CG-OG 3.4Å; R73-S75 PolarHBondContact O-N 2.92Å; S75-C77 VanDerWaalsContact C-N 3.35Å |
| 76 | D | 87.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 80.1 Ų | 80.1 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -82.2 | -20.8 | -178 | -54.6 | -18.9 | 0 | 0 | 0 | 111.1 | V52 C64 L65 R73 S74 | V52-D76 HydrophobicContact CB-CB 4.47Å; V52-D76 HydrophobicContact CG1-CB 3.83Å; C64-D76 WeakPolarHBondContact CA-O 3.19Å; L65-D76 HydrophobicContact CD1-CB 4.47Å; L65-D76 PolarHBondContact N-O 3.48Å; R73-D76 WeakPolarHBondContact CB-OD2 3.46Å; R73-D76 PolarHBondContact N-OD2 3.26Å; R73-D76 VanDerWaalsContact O-CB 3.31Å; R73-D76 WeakPolarHBondContact O-CB 3.01Å; R73-D76 PolarHBondContact O-N 3.32Å; S74-D76 PolarHBondContact O-N 3.34Å |
| 77 | C | 92.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 78.6 Ų | 78.6 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -85.9 | 141.1 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | L65 C71 S74 S75 S79 G80 C87 | L65-C77 WeakPolarHBondContact O-CA 3.44Å; C71-C77 WeakPolarHBondContact CB-SG 3.49Å; C71-C77 VanDerWaalsContact SG-SG 3.65Å; S74-C77 PolarHBondContact O-N 3.29Å; S75-C77 VanDerWaalsContact C-N 3.35Å; C77-S79 PolarHBondContact O-N 3.28Å; C77-S79 VanDerWaalsContact O-N 3.16Å; C77-G80 PolarHBondContact O-N 3.44Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.08Å; C77-C87 WeakPolarHBondContact SG-CA 3.02Å; C77-C87 WeakPolarHBondContact SG-CB 3.46Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.67Å |
| 78 | C | 90.5 | Very high | 89.3 | Confident | 76 Ų | 76 | 79 Ų | 79 | 51% | 0.514 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.9 | 174.5 | -47.2 | 0 | 0 | 0 | 0 | 112 | C64 L65 G80 | C64-C78 HydrophobicContact CB-CB 3.86Å; C64-C78 WeakPolarHBondContact CB-SG 3.2Å; C64-C78 WeakPolarHBondContact SG-CB 3.36Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.01Å; L65-C78 PolarHBondContact O-N 3.14Å; L65-C78 PolarHBondContact O-SG 2.69Å; L65-C78 VanDerWaalsContact O-SG 3.37Å; C78-G80 VanDerWaalsContact C-N 3.32Å |
| 79 | S | 87.6 | Confident | 89.2 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.8 | 175.8 | -42.3 | 0 | 0 | 0 | 0 | 114.6 | C77 R81 K88 Q90 | C77-S79 PolarHBondContact O-N 3.28Å; C77-S79 VanDerWaalsContact O-N 3.16Å; S79-R81 PolarHBondContact O-N 3Å; S79-K88 WeakPolarHBondContact CB-O 3.29Å; S79-K88 PolarHBondContact OG-O 3.21Å; S79-Q90 WeakPolarHBondContact O-CB 3.46Å |
| 80 | G | 89.1 | Confident | 88.6 | Confident | 47 Ų | 47 | 80 Ų | 80 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 67.3 | 15 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S74 C77 C78 | S74-G80 WeakPolarHBondContact CB-O 3.21Å; S74-G80 CarbonylContact O-C 3.52Å; S74-G80 WeakPolarHBondContact O-CA 3.36Å; C77-G80 PolarHBondContact O-N 3.44Å; C78-G80 VanDerWaalsContact C-N 3.32Å |
| 81 | R | 89.4 | Confident | 87.6 | Confident | 120 Ų | 120 | 83 Ų | 83 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | trans | -134.2 | 110.4 | -177 | -175.2 | 177.5 | -71.9 | 179.7 | -3.8 | 112 | S74 S79 K88 | S74-R81 PolarHBondContact O-N 2.71Å; S79-R81 PolarHBondContact O-N 3Å; R81-K88 HydrophobicContact CG-CB 4.49Å; R81-K88 PolarHBondContact O-N 3.27Å | ||
| 82 | C | 91.5 | Very high | 86.2 | Confident | 29 Ų | 29 | 85.6 Ų | 85.6 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117 | 168.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | C71 S74 | C71-C82 HydrophobicContact CB-CB 3.82Å; C71-C82 WeakPolarHBondContact CB-SG 3.4Å; C71-C82 PolarHBondContact O-SG 3.05Å; C71-C82 VanDerWaalsContact O-SG 3.4Å; C71-C82 WeakPolarHBondContact SG-CA 2.96Å; C71-C82 WeakPolarHBondContact SG-CB 3.38Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.01Å; S74-C82 PolarHBondContact OG-N 3.43Å |
| 83 | W | 91.1 | Very high | 84.8 | Confident | 165 Ų | 165 | 83.8 Ų | 83.8 | 63% | 0.625 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.9 | 178.1 | -172.9 | 59 | 0 | 0 | 0 | 109.9 | F85 H86 K88 | W83-F85 VanDerWaalsContact C-N 3.32Å; W83-F85 PolarHBondContact O-N 3.39Å; W83-H86 PolarHBondContact N-O 3.23Å; W83-H86 PolarHBondContact O-N 2.97Å; W83-K88 HydrophobicContact CB-CB 4.37Å; W83-K88 HydrophobicContact CB-CD 4.48Å; W83-K88 HydrophobicContact CD2-CD 4.36Å; W83-K88 HydrophobicContact CE3-CD 3.8Å; W83-K88 HydrophobicContact CZ3-CD 4.45Å |
| 84 | F | 91 | Very high | 83.4 | Confident | 169 Ų | 169 | 79.8 Ų | 79.8 | 74% | 0.741 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 43 | -177.6 | -152.9 | -101.5 | 0 | 0 | 0 | 113.5 | H86 | F84-H86 PolarHBondContact O-CD2 3.41Å; F84-H86 PolarHBondContact O-N 3.3Å; F84-H86 VanDerWaalsContact O-N 3.16Å |
| 85 | F | 89.1 | Confident | 81.9 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 12.7 | -172.8 | -56.8 | -84.2 | 0 | 0 | 0 | 115.1 | L70 C71 W83 | L70-F85 CarbonylContact C-O 3.09Å; L70-F85 VanDerWaalsContact CA-O 3.24Å; L70-F85 WeakPolarHBondContact CA-O 3.48Å; C71-F85 PolarHBondContact N-O 2.97Å; W83-F85 VanDerWaalsContact C-N 3.32Å; W83-F85 PolarHBondContact O-N 3.39Å |
| 86 | H | 91.1 | Very high | 80.5 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.4 | 174.8 | -70 | -86.8 | 0 | 0 | 0 | 111.7 | N68 K69 C71 W83 F84 K88 | N68-H86 PolarHBondContact O-ND1 3.48Å; K69-H86 CarbonylContact O-C 3.57Å; K69-H86 VanDerWaalsContact O-CA 3.32Å; K69-H86 WeakPolarHBondContact O-CA 3.45Å; C71-H86 PolarHBondContact SG-N 3Å; W83-H86 PolarHBondContact N-O 3.23Å; W83-H86 PolarHBondContact O-N 2.97Å; F84-H86 PolarHBondContact O-CD2 3.41Å; F84-H86 PolarHBondContact O-N 3.3Å; F84-H86 VanDerWaalsContact O-N 3.16Å; H86-K88 PolarHBondContact O-N 3.42Å |
| 87 | C | 91.4 | Very high | 79 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.5 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 109.7 | L65 G66 N68 K69 C71 C77 | L65-C87 WeakPolarHBondContact CB-SG 3.45Å; G66-C87 WeakPolarHBondContact O-CB 3.24Å; N68-C87 PolarHBondContact N-O 3.29Å; K69-C87 PolarHBondContact O-N 2.87Å; C71-C87 VanDerWaalsContact CB-SG 3.59Å; C71-C87 PolarHBondContact SG-N 2.82Å; C71-C87 VanDerWaalsContact SG-N 3.36Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.08Å; C77-C87 WeakPolarHBondContact SG-CA 3.02Å; C77-C87 WeakPolarHBondContact SG-CB 3.46Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.67Å |
| 88 | K | 90.9 | Very high | 77.4 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 41% | 0.409 | 45% | 0.445 | S | S | . | . | trans | -105 | 150.9 | 176.5 | -145.8 | -177.6 | -171.7 | 176.8 | 0 | 109.4 | S79 R81 W83 H86 Q90 | S79-K88 WeakPolarHBondContact CB-O 3.29Å; S79-K88 PolarHBondContact OG-O 3.21Å; R81-K88 HydrophobicContact CG-CB 4.49Å; R81-K88 PolarHBondContact O-N 3.27Å; W83-K88 HydrophobicContact CB-CB 4.37Å; W83-K88 HydrophobicContact CB-CD 4.48Å; W83-K88 HydrophobicContact CD2-CD 4.36Å; W83-K88 HydrophobicContact CE3-CD 3.8Å; W83-K88 HydrophobicContact CZ3-CD 4.45Å; H86-K88 PolarHBondContact O-N 3.42Å; K88-Q90 PolarHBondContact O-N 2.95Å | ||
| 89 | E | 86.9 | Confident | 75.9 | Confident | 123 Ų | 123 | 88.8 Ų | 88.8 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | trans | -59.1 | 131.7 | 167.7 | -168.7 | 170.3 | -165.9 | 0 | 0 | 109.5 | I67 | I67-E89 HydrophobicContact CD1-CB 4.06Å; I67-E89 HydrophobicContact CD1-CG 4.27Å; I67-E89 HydrophobicContact CG1-CB 4.46Å | ||
| 90 | Q | 75.9 | Confident | 74.4 | Confident | 102 Ų | 102 | 92.6 Ų | 92.6 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | trans | -76.4 | 126.1 | 165.3 | -173.1 | -179.5 | 37.4 | 0 | 0 | 105.3 | S79 K88 S92 | S79-Q90 WeakPolarHBondContact O-CB 3.46Å; K88-Q90 PolarHBondContact O-N 2.95Å; Q90-S92 PolarHBondContact O-N 3.47Å | ||
| 91 | N | 67.7 | Low | 72.8 | Confident | 98 Ų | 98 | 95 Ų | 95 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | trans | -67.7 | 71.3 | 175.2 | -174.9 | 22.5 | 0 | 0 | 0 | 109.7 | N93 I94 | N91-N93 VanDerWaalsContact C-N 3.34Å; N91-I94 WeakPolarHBondContact ND2-CD1 3.49Å; N91-I94 WeakPolarHBondContact ND2-CG1 3.28Å | ||
| 92 | S | 61.4 | Low | 71.1 | Confident | 58 Ų | 58 | 92.2 Ų | 92.2 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | trans | -83.9 | -13.6 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | Q90 I94 T95 T96 | Q90-S92 PolarHBondContact O-N 3.47Å; S92-I94 PolarHBondContact O-N 3.05Å; S92-T95 PolarHBondContact O-N 3.12Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.37Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å | ||
| 93 | N | 56.1 | Low | 69.3 | Low | 103 Ų | 103 | 97.6 Ų | 97.6 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.4 | 173.6 | -97.7 | 6 | 0 | 0 | 0 | 114.4 | N91 S97 | N91-N93 VanDerWaalsContact C-N 3.34Å; N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-OG 3.04Å |
| 94 | I | 57.2 | Low | 67.4 | Low | 94 Ų | 94 | 94.5 Ų | 94.5 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -32.9 | 162 | -64.4 | -174.4 | 0 | 0 | 0 | 110.3 | N91 S92 I98 | N91-I94 WeakPolarHBondContact ND2-CD1 3.49Å; N91-I94 WeakPolarHBondContact ND2-CG1 3.28Å; S92-I94 PolarHBondContact O-N 3.05Å; I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 WeakPolarHBondContact O-CB 3.37Å; I94-I98 WeakPolarHBondContact O-CD1 3.37Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.31Å |
| 95 | T | 56.7 | Low | 65.6 | Low | 94 Ų | 94 | 94 Ų | 94 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -87.5 | -44.4 | -175.4 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | S92 I98 E99 | S92-T95 PolarHBondContact O-N 3.12Å; T95-I98 PolarHBondContact O-N 3.4Å; T95-E99 WeakPolarHBondContact O-CB 3.03Å; T95-E99 PolarHBondContact O-N 3.32Å |
| 96 | T | 56.9 | Low | 63.8 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.9 | -30.2 | 178.1 | 29.8 | 0 | 0 | 0 | 0 | 113.9 | S92 E99 N100 | S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.37Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å; T96-E99 PolarHBondContact O-N 3.46Å; T96-N100 PolarHBondContact O-N 3.48Å |
| 97 | S | 55.1 | Low | 61.9 | Low | 50 Ų | 50 | 97.8 Ų | 97.8 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.7 | -35.9 | 170.4 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | N93 E99 D101 | N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-OG 3.04Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.06Å; S97-D101 WeakPolarHBondContact O-CB 3.44Å; S97-D101 PolarHBondContact O-N 3.28Å |
| 98 | I | 58.2 | Low | 60 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 170.7 | -69.6 | 172.7 | 0 | 0 | 0 | 110.6 | I94 T95 D101 T102 | I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 WeakPolarHBondContact O-CB 3.37Å; I94-I98 WeakPolarHBondContact O-CD1 3.37Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.31Å; T95-I98 PolarHBondContact O-N 3.4Å; I98-D101 PolarHBondContact O-N 3.39Å; I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.32Å |
| 99 | E | 59.1 | Low | 58.1 | Low | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.6 | -41.7 | 179 | -139.2 | 159.6 | -178.4 | 0 | 0 | 112.1 | T95 T96 S97 T102 E103 | T95-E99 WeakPolarHBondContact O-CB 3.03Å; T95-E99 PolarHBondContact O-N 3.32Å; T96-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.06Å; E99-T102 PolarHBondContact O-N 3.46Å; E99-E103 PolarHBondContact O-N 2.98Å; E99-E103 VanDerWaalsContact O-N 3.08Å |
| 100 | N | 56.4 | Low | 56.4 | Low | 102 Ų | 102 | 107 Ų | 107 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73 | -30.4 | 173.9 | -76.5 | -9.6 | 0 | 0 | 0 | 113.7 | T96 T104 | T96-N100 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-N 3.4Å; N100-T104 PolarHBondContact O-OG1 3.46Å |
| 101 | D | 54.9 | Low | 55.2 | Low | 97 Ų | 97 | 111 Ų | 111 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.6 | -23.5 | 173.9 | -71.4 | -33.2 | 0 | 0 | 0 | 112.1 | S97 I98 Q105 | S97-D101 WeakPolarHBondContact O-CB 3.44Å; S97-D101 PolarHBondContact O-N 3.28Å; I98-D101 PolarHBondContact O-N 3.39Å; D101-Q105 PolarHBondContact O-N 3.38Å |
| 102 | T | 54.5 | Low | 54.5 | Low | 61 Ų | 61 | 112.8 Ų | 112.8 | 37% | 0.374 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.5 | -33.9 | 173.9 | -48.6 | 0 | 0 | 0 | 0 | 111 | I98 E99 T104 Q106 | I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.32Å; E99-T102 PolarHBondContact O-N 3.46Å; T102-T104 VanDerWaalsContact C-N 3.3Å; T102-T104 PolarHBondContact O-N 3.48Å; T102-Q106 PolarHBondContact O-N 3.31Å |
| 103 | E | 53.3 | Low | 54.2 | Low | 143 Ų | 143 | 117.5 Ų | 117.5 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.6 | -29.1 | 170.1 | -75.7 | -170.4 | 150.9 | 0 | 0 | 112.6 | E99 | E99-E103 PolarHBondContact O-N 2.98Å; E99-E103 VanDerWaalsContact O-N 3.08Å |
| 104 | T | 51.1 | Low | 53.8 | Low | 99 Ų | 99 | 119.1 Ų | 119.1 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -80.4 | -26.6 | 179.1 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | N100 T102 | N100-T104 PolarHBondContact O-N 3.4Å; N100-T104 PolarHBondContact O-OG1 3.46Å; T102-T104 VanDerWaalsContact C-N 3.3Å; T102-T104 PolarHBondContact O-N 3.48Å |
| 105 | Q | 53.4 | Low | 53.4 | Low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93 | -11.7 | 178.5 | -72.6 | -174.3 | 47.7 | 0 | 0 | 115.2 | D101 | D101-Q105 PolarHBondContact O-N 3.38Å |
| 106 | Q | 52.7 | Low | 53.1 | Low | 148 Ų | 148 | 125.2 Ų | 125.2 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.7 | -12.3 | 175.3 | -72.6 | -173.5 | -15.7 | 0 | 0 | 114.6 | T102 | T102-Q106 PolarHBondContact O-N 3.31Å |
| 107 | N | 50.2 | Low | 53 | Low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 21.8 | -178.5 | -159.3 | 35.2 | 0 | 0 | 0 | 115.4 | ||
| 108 | M | 51.7 | Low | 52.9 | Low | 164 Ų | 164 | 137.8 Ų | 137.8 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 20.1 | 174.2 | -84.2 | -161.4 | -57.9 | 0 | 0 | 115 | ||
| 109 | T | 51.8 | Low | 52.6 | Low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -133.2 | 18 | -179.9 | -26.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 110 | N | 49.6 | Very low | 52.3 | Low | 125 Ų | 125 | 140.6 Ų | 140.6 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.5 | 18.8 | 176.6 | 67.6 | -10.8 | 0 | 0 | 0 | 117.3 | ||
| 111 | E | 50.5 | Low | 52 | Low | 186 Ų | 186 | 142.8 Ų | 142.8 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.5 | 27.4 | 167 | -67.7 | -164.7 | 146 | 0 | 0 | 113.8 | ||
| 112 | T | 53.9 | Low | 51.9 | Low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -124.3 | 27.9 | 173.7 | -38.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 113 | L | 54.3 | Low | 51.7 | Low | 156 Ų | 156 | 151.3 Ų | 151.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -145.1 | 43.1 | 176.1 | -131.8 | 133.9 | 0 | 0 | 0 | 115.6 | ||
| 114 | T | 48.8 | Very low | 51.6 | Low | 138 Ų | 138 | 151.9 Ų | 151.9 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -139.2 | 37.8 | 164.5 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 115 | E | 49.1 | Very low | 51.6 | Low | 185 Ų | 185 | 156 Ų | 156 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -139.8 | 54.3 | 162.6 | -73.1 | -165.4 | 132.2 | 0 | 0 | 111 | ||
| 116 | T | 48.8 | Very low | 51.5 | Low | 131 Ų | 131 | 155.8 Ų | 155.8 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -156.4 | 68.8 | 158.5 | 33.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 117 | L | 56.2 | Low | 51.3 | Low | 246 Ų | 246 | 156.5 Ų | 156.5 | 100% | 1.288 | 84% | 0.842 | S | S | * | * | trans | -164.4 | 0 | 147.6 | -124.7 | 138.9 | 0 | 0 | 0 | 109.2 |
Retrieved 117 of 117 residues in 54.7 ms
(Link to these results)